data_17226

#######################
#  Entry information  #
#######################

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             17226
   _Entry.Title                         
;
1H, 15N, and 13C chemical shift assignments, and 15N dynamics for trHbN-cyanomet from M. tuberculosis
;
   _Entry.Version_type                   original
   _Entry.Submission_date                2010-09-30
   _Entry.Accession_date                 2010-09-30
   _Entry.Last_release_date              .
   _Entry.Original_release_date          .
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.31
   _Entry.Original_NMR_STAR_version      3.0.9.13
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    solution
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

   loop_
      _Entry_author.Ordinal
      _Entry_author.Given_name
      _Entry_author.Family_name
      _Entry_author.First_initial
      _Entry_author.Middle_initials
      _Entry_author.Family_title
      _Entry_author.Entry_ID

      1 Pierre-Yves Savard  . . . 17226 
      2 Sebastien   Morin   . . . 17226 
      3 Anne        Sebilo  . . . 17226 
      4 Fanny       Meindre . . . 17226 
      5 Michel      Guertin . . . 17226 
      6 Stephane    Gagne   . . . 17226 

   stop_

   loop_
      _Entry_src.ID
      _Entry_src.Project_name
      _Entry_src.Organization_full_name
      _Entry_src.Organization_initials
      _Entry_src.Entry_ID

      1 . 'Laval University'                                                                        . 17226 
      2 . 'PROTEO, The Quebec Network for protein research on function, structure, and engineering' . 17226 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 17226 
      order_parameters         1 17226 
      heteronucl_T1_relaxation 3 17226 
      heteronucl_T2_relaxation 2 17226 
      heteronucl_NOEs          3 17226 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts'       555 17226 
      '13C chemical shifts'      446 17226 
      '15N chemical shifts'      123 17226 
      'heteronuclear NOE values' 303 17226 
      'T1 relaxation values'     303 17226 
      'T2 relaxation values'     201 17226 
      'order parameters'         101 17226 

   stop_

   loop_
      _Release.Release_number
      _Release.Format_type
      _Release.Format_version
      _Release.Date
      _Release.Submission_date
      _Release.Type
      _Release.Author
      _Release.Detail
      _Release.Entry_ID

      2 . . 2012-03-13 2010-09-30 update   BMRB   'update entry citation' 17226 
      1 . . 2011-10-28 2010-09-30 original author 'original release'      17226 

   stop_

save_


###############
#  Citations  #
###############

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     17226
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    21999759
   _Citation.Full_citation                .
   _Citation.Title                       'Structure and dynamics of Mycobacterium tuberculosis truncated hemoglobin N: insights from NMR spectroscopy and molecular dynamics simulations.'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               Biochemistry
   _Citation.Journal_name_full            Biochemistry
   _Citation.Journal_volume               50
   _Citation.Journal_issue                51
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   11121
   _Citation.Page_last                    11130
   _Citation.Year                         2011
   _Citation.Details                      .

   loop_
      _Citation_author.Ordinal
      _Citation_author.Given_name
      _Citation_author.Family_name
      _Citation_author.First_initial
      _Citation_author.Middle_initials
      _Citation_author.Family_title
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1 Pierre-Yves Savard  . .  . 17226 1 
      2 Richard     Daigle  . .  . 17226 1 
      3 Sebastien   Morin   . .  . 17226 1 
      4 Anne        Sebilo  . .  . 17226 1 
      5 Fanny       Meindre . .  . 17226 1 
      6 Patrick     Lague   . .  . 17226 1 
      7 Michel      Guertin . .  . 17226 1 
      8 Stephane    Gagne   . M. . 17226 1 

   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

       trHbN                       17226 1 
      'truncated hemoglobin'       17226 1 
      'Mycobacterium tuberculosis' 17226 1 

   stop_

save_


#############################################
#  Molecular system (assembly) description  #
#############################################

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          17226
   _Assembly.ID                                1
   _Assembly.Name                             'trHbN cyanomet'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              3
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                no
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    14317.3
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1  trHbN        1 $trHbN A . yes native no no . . . 17226 1 
      2 'iron ion'    2 $FE    B . no  native no no . . . 17226 1 
      3 'cyanide ion' 3 $CYN   B . no  native no no . . . 17226 1 

   stop_

save_


    ####################################
    #  Biological polymers and ligands #
    ####################################

save_trHbN
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      trHbN
   _Entity.Entry_ID                          17226
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              trHbN
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code      
;
MGLLSRLRKREPISIYDKIG
GHEAIEVVVEDFYVRVLADD
QLSAFFSGTNMSRLKGKQVE
FFAAALGGPEPYTGAPMKQV
HQGRGITMHHFSLVAGHLAD
ALTAAGVPSETITEILGVIA
PLAVDVTSGESTTAPV
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      yes
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                136
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    14317.3
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                          'The starting Met is cleaved in the mature form of the protein'
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2012-11-12

   loop_
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

      no PDB  1IDR         . "Crystal Structure Of The Truncated-Hemoglobin-N From Mycobacterium Tuberculosis"                                                 . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no PDB  1RTE         . "X-Ray Structure Of Cyanide Derivative Of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis"                         . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no PDB  1S56         . 'Crystal Structure Of "truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked With Xe Atoms'                       . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no PDB  1S61         . 'Crystal Structure Of "truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked With Butyl-Isocyanide'               . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no PDB  2GKM         . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn Tyrb10phe Mutant"                                                          . . . . . 100.00 136  99.26 100.00 8.04e-92 . . . . 17226 1 
      no PDB  2GKN         . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Glne11val Mutant"                                                         . . . . . 100.00 136  99.26  99.26 2.89e-91 . . . . 17226 1 
      no PDB  2GL3         . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Tyrb10phe Glne11val Mutant"                                               . . . . . 100.00 136  98.53  99.26 1.21e-90 . . . . 17226 1 
      no PDB  2GLN         . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Glne11ala Mutant"                                                         . . . . . 100.00 136  99.26  99.26 1.86e-91 . . . . 17226 1 
      no DBJ  BAH25857     . "putative hemoglobin [Mycobacterium bovis BCG str. Tokyo 172]"                                                                    . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no DBJ  BAL65514     . "hemoglobin [Mycobacterium tuberculosis str. Erdman = ATCC 35801]"                                                                . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no DBJ  GAA45289     . "hemoglobin [Mycobacterium tuberculosis NCGM2209]"                                                                                . . . . .  95.59 130  99.23 100.00 9.96e-88 . . . . 17226 1 
      no EMBL CAA98320     . "Probable hemoglobin glbN [Mycobacterium tuberculosis H37Rv]"                                                                     . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no EMBL CAB56291     . "flavohaemoglobin [Mycobacterium smegmatis]"                                                                                      . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no EMBL CAD96236     . "Probable hemoglobin glbN [Mycobacterium bovis AF2122/97]"                                                                        . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no EMBL CAL71581     . "Probable hemoglobin glbN [Mycobacterium bovis BCG str. Pasteur 1173P2]"                                                          . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no EMBL CCC26641     . "putative hemoglobin glbN [Mycobacterium africanum GM041182]"                                                                     . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no GB   AAD28758     . "hemoglobin HbN [Mycobacterium bovis]"                                                                                            . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no GB   AAK45860     . "protozoan/cyanobacterial globin family protein [Mycobacterium tuberculosis CDC1551]"                                             . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no GB   ABQ73299     . "protozoan/cyanobacterial globin family protein [Mycobacterium tuberculosis H37Ra]"                                               . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no GB   ABR05918     . "hemoglobin glbN [Mycobacterium tuberculosis F11]"                                                                                . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no GB   ACT25509     . "hemoglobin glbN [Mycobacterium tuberculosis KZN 1435]"                                                                           . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no REF  NP_216058    . "hemoglobin glbN [Mycobacterium tuberculosis H37Rv]"                                                                              . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no REF  NP_336046    . "hypothetical protein MT1594 [Mycobacterium tuberculosis CDC1551]"                                                                . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no REF  NP_855221    . "hemoglobin glbN [Mycobacterium bovis AF2122/97]"                                                                                 . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no REF  YP_001282861 . "hypothetical protein MRA_1554 [Mycobacterium tuberculosis H37Ra]"                                                                . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no REF  YP_001287520 . "hemoglobin glbN [Mycobacterium tuberculosis F11]"                                                                                . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no SP   P0A592       . "RecName: Full=Group 1 truncated hemoglobin GlbN; Short=Truncated hemoglobin; Short=trHbN; AltName: Full=Hemoglobin-like protein" . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no SP   P0A593       . "RecName: Full=Group 1 truncated hemoglobin GlbN; Short=Truncated hemoglobin; Short=trHbN; AltName: Full=Hemoglobin-like protein" . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 
      no SP   P0A594       . "RecName: Full=Group 1 truncated hemoglobin GlbN; AltName: Full=Hemoglobin-like protein HbN; AltName: Full=Truncated hemoglobin;" . . . . . 100.00 136 100.00 100.00 1.92e-92 . . . . 17226 1 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

        1 . MET . 17226 1 
        2 . GLY . 17226 1 
        3 . LEU . 17226 1 
        4 . LEU . 17226 1 
        5 . SER . 17226 1 
        6 . ARG . 17226 1 
        7 . LEU . 17226 1 
        8 . ARG . 17226 1 
        9 . LYS . 17226 1 
       10 . ARG . 17226 1 
       11 . GLU . 17226 1 
       12 . PRO . 17226 1 
       13 . ILE . 17226 1 
       14 . SER . 17226 1 
       15 . ILE . 17226 1 
       16 . TYR . 17226 1 
       17 . ASP . 17226 1 
       18 . LYS . 17226 1 
       19 . ILE . 17226 1 
       20 . GLY . 17226 1 
       21 . GLY . 17226 1 
       22 . HIS . 17226 1 
       23 . GLU . 17226 1 
       24 . ALA . 17226 1 
       25 . ILE . 17226 1 
       26 . GLU . 17226 1 
       27 . VAL . 17226 1 
       28 . VAL . 17226 1 
       29 . VAL . 17226 1 
       30 . GLU . 17226 1 
       31 . ASP . 17226 1 
       32 . PHE . 17226 1 
       33 . TYR . 17226 1 
       34 . VAL . 17226 1 
       35 . ARG . 17226 1 
       36 . VAL . 17226 1 
       37 . LEU . 17226 1 
       38 . ALA . 17226 1 
       39 . ASP . 17226 1 
       40 . ASP . 17226 1 
       41 . GLN . 17226 1 
       42 . LEU . 17226 1 
       43 . SER . 17226 1 
       44 . ALA . 17226 1 
       45 . PHE . 17226 1 
       46 . PHE . 17226 1 
       47 . SER . 17226 1 
       48 . GLY . 17226 1 
       49 . THR . 17226 1 
       50 . ASN . 17226 1 
       51 . MET . 17226 1 
       52 . SER . 17226 1 
       53 . ARG . 17226 1 
       54 . LEU . 17226 1 
       55 . LYS . 17226 1 
       56 . GLY . 17226 1 
       57 . LYS . 17226 1 
       58 . GLN . 17226 1 
       59 . VAL . 17226 1 
       60 . GLU . 17226 1 
       61 . PHE . 17226 1 
       62 . PHE . 17226 1 
       63 . ALA . 17226 1 
       64 . ALA . 17226 1 
       65 . ALA . 17226 1 
       66 . LEU . 17226 1 
       67 . GLY . 17226 1 
       68 . GLY . 17226 1 
       69 . PRO . 17226 1 
       70 . GLU . 17226 1 
       71 . PRO . 17226 1 
       72 . TYR . 17226 1 
       73 . THR . 17226 1 
       74 . GLY . 17226 1 
       75 . ALA . 17226 1 
       76 . PRO . 17226 1 
       77 . MET . 17226 1 
       78 . LYS . 17226 1 
       79 . GLN . 17226 1 
       80 . VAL . 17226 1 
       81 . HIS . 17226 1 
       82 . GLN . 17226 1 
       83 . GLY . 17226 1 
       84 . ARG . 17226 1 
       85 . GLY . 17226 1 
       86 . ILE . 17226 1 
       87 . THR . 17226 1 
       88 . MET . 17226 1 
       89 . HIS . 17226 1 
       90 . HIS . 17226 1 
       91 . PHE . 17226 1 
       92 . SER . 17226 1 
       93 . LEU . 17226 1 
       94 . VAL . 17226 1 
       95 . ALA . 17226 1 
       96 . GLY . 17226 1 
       97 . HIS . 17226 1 
       98 . LEU . 17226 1 
       99 . ALA . 17226 1 
      100 . ASP . 17226 1 
      101 . ALA . 17226 1 
      102 . LEU . 17226 1 
      103 . THR . 17226 1 
      104 . ALA . 17226 1 
      105 . ALA . 17226 1 
      106 . GLY . 17226 1 
      107 . VAL . 17226 1 
      108 . PRO . 17226 1 
      109 . SER . 17226 1 
      110 . GLU . 17226 1 
      111 . THR . 17226 1 
      112 . ILE . 17226 1 
      113 . THR . 17226 1 
      114 . GLU . 17226 1 
      115 . ILE . 17226 1 
      116 . LEU . 17226 1 
      117 . GLY . 17226 1 
      118 . VAL . 17226 1 
      119 . ILE . 17226 1 
      120 . ALA . 17226 1 
      121 . PRO . 17226 1 
      122 . LEU . 17226 1 
      123 . ALA . 17226 1 
      124 . VAL . 17226 1 
      125 . ASP . 17226 1 
      126 . VAL . 17226 1 
      127 . THR . 17226 1 
      128 . SER . 17226 1 
      129 . GLY . 17226 1 
      130 . GLU . 17226 1 
      131 . SER . 17226 1 
      132 . THR . 17226 1 
      133 . THR . 17226 1 
      134 . ALA . 17226 1 
      135 . PRO . 17226 1 
      136 . VAL . 17226 1 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . MET   1   1 17226 1 
      . GLY   2   2 17226 1 
      . LEU   3   3 17226 1 
      . LEU   4   4 17226 1 
      . SER   5   5 17226 1 
      . ARG   6   6 17226 1 
      . LEU   7   7 17226 1 
      . ARG   8   8 17226 1 
      . LYS   9   9 17226 1 
      . ARG  10  10 17226 1 
      . GLU  11  11 17226 1 
      . PRO  12  12 17226 1 
      . ILE  13  13 17226 1 
      . SER  14  14 17226 1 
      . ILE  15  15 17226 1 
      . TYR  16  16 17226 1 
      . ASP  17  17 17226 1 
      . LYS  18  18 17226 1 
      . ILE  19  19 17226 1 
      . GLY  20  20 17226 1 
      . GLY  21  21 17226 1 
      . HIS  22  22 17226 1 
      . GLU  23  23 17226 1 
      . ALA  24  24 17226 1 
      . ILE  25  25 17226 1 
      . GLU  26  26 17226 1 
      . VAL  27  27 17226 1 
      . VAL  28  28 17226 1 
      . VAL  29  29 17226 1 
      . GLU  30  30 17226 1 
      . ASP  31  31 17226 1 
      . PHE  32  32 17226 1 
      . TYR  33  33 17226 1 
      . VAL  34  34 17226 1 
      . ARG  35  35 17226 1 
      . VAL  36  36 17226 1 
      . LEU  37  37 17226 1 
      . ALA  38  38 17226 1 
      . ASP  39  39 17226 1 
      . ASP  40  40 17226 1 
      . GLN  41  41 17226 1 
      . LEU  42  42 17226 1 
      . SER  43  43 17226 1 
      . ALA  44  44 17226 1 
      . PHE  45  45 17226 1 
      . PHE  46  46 17226 1 
      . SER  47  47 17226 1 
      . GLY  48  48 17226 1 
      . THR  49  49 17226 1 
      . ASN  50  50 17226 1 
      . MET  51  51 17226 1 
      . SER  52  52 17226 1 
      . ARG  53  53 17226 1 
      . LEU  54  54 17226 1 
      . LYS  55  55 17226 1 
      . GLY  56  56 17226 1 
      . LYS  57  57 17226 1 
      . GLN  58  58 17226 1 
      . VAL  59  59 17226 1 
      . GLU  60  60 17226 1 
      . PHE  61  61 17226 1 
      . PHE  62  62 17226 1 
      . ALA  63  63 17226 1 
      . ALA  64  64 17226 1 
      . ALA  65  65 17226 1 
      . LEU  66  66 17226 1 
      . GLY  67  67 17226 1 
      . GLY  68  68 17226 1 
      . PRO  69  69 17226 1 
      . GLU  70  70 17226 1 
      . PRO  71  71 17226 1 
      . TYR  72  72 17226 1 
      . THR  73  73 17226 1 
      . GLY  74  74 17226 1 
      . ALA  75  75 17226 1 
      . PRO  76  76 17226 1 
      . MET  77  77 17226 1 
      . LYS  78  78 17226 1 
      . GLN  79  79 17226 1 
      . VAL  80  80 17226 1 
      . HIS  81  81 17226 1 
      . GLN  82  82 17226 1 
      . GLY  83  83 17226 1 
      . ARG  84  84 17226 1 
      . GLY  85  85 17226 1 
      . ILE  86  86 17226 1 
      . THR  87  87 17226 1 
      . MET  88  88 17226 1 
      . HIS  89  89 17226 1 
      . HIS  90  90 17226 1 
      . PHE  91  91 17226 1 
      . SER  92  92 17226 1 
      . LEU  93  93 17226 1 
      . VAL  94  94 17226 1 
      . ALA  95  95 17226 1 
      . GLY  96  96 17226 1 
      . HIS  97  97 17226 1 
      . LEU  98  98 17226 1 
      . ALA  99  99 17226 1 
      . ASP 100 100 17226 1 
      . ALA 101 101 17226 1 
      . LEU 102 102 17226 1 
      . THR 103 103 17226 1 
      . ALA 104 104 17226 1 
      . ALA 105 105 17226 1 
      . GLY 106 106 17226 1 
      . VAL 107 107 17226 1 
      . PRO 108 108 17226 1 
      . SER 109 109 17226 1 
      . GLU 110 110 17226 1 
      . THR 111 111 17226 1 
      . ILE 112 112 17226 1 
      . THR 113 113 17226 1 
      . GLU 114 114 17226 1 
      . ILE 115 115 17226 1 
      . LEU 116 116 17226 1 
      . GLY 117 117 17226 1 
      . VAL 118 118 17226 1 
      . ILE 119 119 17226 1 
      . ALA 120 120 17226 1 
      . PRO 121 121 17226 1 
      . LEU 122 122 17226 1 
      . ALA 123 123 17226 1 
      . VAL 124 124 17226 1 
      . ASP 125 125 17226 1 
      . VAL 126 126 17226 1 
      . THR 127 127 17226 1 
      . SER 128 128 17226 1 
      . GLY 129 129 17226 1 
      . GLU 130 130 17226 1 
      . SER 131 131 17226 1 
      . THR 132 132 17226 1 
      . THR 133 133 17226 1 
      . ALA 134 134 17226 1 
      . PRO 135 135 17226 1 
      . VAL 136 136 17226 1 

   stop_

save_


save_FE
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      FE
   _Entity.Entry_ID                          17226
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              FE
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                FE
   _Entity.Nonpolymer_comp_label            $chem_comp_FE
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  2
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 . FE . 17226 2 

   stop_

save_


save_CYN
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      CYN
   _Entity.Entry_ID                          17226
   _Entity.ID                                3
   _Entity.BMRB_code                         .
   _Entity.Name                              CYN
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                CYN
   _Entity.Nonpolymer_comp_label            $chem_comp_CYN
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  3
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 . CYN . 17226 3 

   stop_

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       17226
   _Entity_natural_src_list.ID             1

   loop_
      _Entity_natural_src.ID
      _Entity_natural_src.Entity_ID
      _Entity_natural_src.Entity_label
      _Entity_natural_src.Entity_chimera_segment_ID
      _Entity_natural_src.NCBI_taxonomy_ID
      _Entity_natural_src.Type
      _Entity_natural_src.Common
      _Entity_natural_src.Organism_name_scientific
      _Entity_natural_src.Organism_name_common
      _Entity_natural_src.Organism_acronym
      _Entity_natural_src.ICTVdb_decimal_code
      _Entity_natural_src.Superkingdom
      _Entity_natural_src.Kingdom
      _Entity_natural_src.Genus
      _Entity_natural_src.Species
      _Entity_natural_src.Strain
      _Entity_natural_src.Variant
      _Entity_natural_src.Subvariant
      _Entity_natural_src.Organ
      _Entity_natural_src.Tissue
      _Entity_natural_src.Tissue_fraction
      _Entity_natural_src.Cell_line
      _Entity_natural_src.Cell_type
      _Entity_natural_src.ATCC_number
      _Entity_natural_src.Organelle
      _Entity_natural_src.Cellular_location
      _Entity_natural_src.Fragment
      _Entity_natural_src.Fraction
      _Entity_natural_src.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Plasmid_details
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Dev_stage
      _Entity_natural_src.Details
      _Entity_natural_src.Citation_ID
      _Entity_natural_src.Citation_label
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1 1 $trHbN . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 17226 1 

   stop_

save_


    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source
   _Entity_experimental_src_list.Entry_ID       17226
   _Entity_experimental_src_list.ID             1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_subvariant
      _Entity_experimental_src.Host_org_organ
      _Entity_experimental_src.Host_org_tissue
      _Entity_experimental_src.Host_org_tissue_fraction
      _Entity_experimental_src.Host_org_cell_line
      _Entity_experimental_src.Host_org_cell_type
      _Entity_experimental_src.Host_org_cellular_location
      _Entity_experimental_src.Host_org_organelle
      _Entity_experimental_src.Host_org_gene
      _Entity_experimental_src.Host_org_culture_collection
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Host_org_dev_stage
      _Entity_experimental_src.Details
      _Entity_experimental_src.Citation_ID
      _Entity_experimental_src.Citation_label
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1 1 $trHbN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET3a . . . . . . 17226 1 

   stop_

save_


    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_FE
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_FE
   _Chem_comp.Entry_ID                          17226
   _Chem_comp.ID                                FE
   _Chem_comp.Provenance                        .
   _Chem_comp.Name                             'FE (III) ION'
   _Chem_comp.Type                              non-polymer
   _Chem_comp.BMRB_code                         .
   _Chem_comp.PDB_code                          FE
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      1999-07-08
   _Chem_comp.Modified_date                     2008-12-05
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 FE
   _Chem_comp.Number_atoms_all                  .
   _Chem_comp.Number_atoms_nh                   .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InCHi_code                        .
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     3
   _Chem_comp.Paramagnetic                      no
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                           Fe
   _Chem_comp.Formula_weight                    55.845
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   RCSB
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun  9 14:05:09 2009
;
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      [Fe+3]                    SMILES            ACDLabs                10.04  17226 FE 
      InChI=1/Fe/q+3            InChI             InChI               1.02b     17226 FE 
      VTLYFUHAOXGGBS-UHFFFAOYAK InChIKey          InChI               1.02b     17226 FE 
      [Fe+3]                    SMILES_CANONICAL  CACTVS                  3.341 17226 FE 
      [Fe+3]                    SMILES            CACTVS                  3.341 17226 FE 
      [Fe+3]                    SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     17226 FE 
      [Fe+3]                    SMILES           'OpenEye OEToolkits' 1.5.0     17226 FE 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

       iron(3+)         'SYSTEMATIC NAME'  ACDLabs                10.04 17226 FE 
      'iron(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    17226 FE 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      FE . FE . . FE . . N 3 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17226 FE 

   stop_

save_


save_chem_comp_CYN
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_CYN
   _Chem_comp.Entry_ID                          17226
   _Chem_comp.ID                                CYN
   _Chem_comp.Provenance                        .
   _Chem_comp.Name                             'CYANIDE ION'
   _Chem_comp.Type                              non-polymer
   _Chem_comp.BMRB_code                         .
   _Chem_comp.PDB_code                          CYN
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      1999-07-08
   _Chem_comp.Modified_date                     2008-12-05
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          CN
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 CYN
   _Chem_comp.Number_atoms_all                  .
   _Chem_comp.Number_atoms_nh                   .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InCHi_code                        .
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     -1
   _Chem_comp.Paramagnetic                      no
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                          'C N'
   _Chem_comp.Formula_weight                    26.017
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         1B0B
   _Chem_comp.Processing_site                   RCSB
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun  9 13:37:52 2009
;
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      [C-]#N                    SMILES            ACDLabs                10.04  17226 CYN 
      InChI=1/CN/c1-2/q-1       InChI             InChI               1.02b     17226 CYN 
      XFXPMWWXUTWYJX-UHFFFAOYAF InChIKey          InChI               1.02b     17226 CYN 
      [C-]#N                    SMILES_CANONICAL  CACTVS                  3.341 17226 CYN 
      [C-]#N                    SMILES            CACTVS                  3.341 17226 CYN 
      [C-]#N                    SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     17226 CYN 
      [C-]#N                    SMILES           'OpenEye OEToolkits' 1.5.0     17226 CYN 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      cyanide 'SYSTEMATIC NAME'  ACDLabs                10.04 17226 CYN 
      cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    17226 CYN 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      C . C . . C . . N -1 . . . . no no . . . . 6.708 . -5.042 . 17.519 . 0.000 0.000 -0.611 1 . 17226 CYN 
      N . N . . N . . N  0 . . . . no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000  0.524 2 . 17226 CYN 

   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

      1 . TRIP C N . . 1 . 17226 CYN 

   stop_

save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         17226
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  trHbN                '[U-99% 15N]'       . . 1 $trHbN . .  0.8 . . mM . . . . 17226 1 
      2  D2O                  '[U-99% 2H]'        . .  .  .     . . 10   . . %  . . . . 17226 1 
      3  DSS                  'natural abundance' . .  .  .     . .  0.1 . . mM . . . . 17226 1 
      4 'potassium phosphate' 'natural abundance' . .  .  .     . . 20   . . mM . . . . 17226 1 
      5 'potassium cyanide'   'natural abundance' . .  .  .     . .  2.4 . . mM . . . . 17226 1 
      6  EDTA                 'natural abundance' . .  .  .     . . 50   . . uM . . . . 17226 1 
      7  H2O                  'natural abundance' . .  .  .     . . 90   . . %  . . . . 17226 1 

   stop_

save_


save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         17226
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  trHbN                '[U-99% 13C; U-99% 15N]' . . 1 $trHbN . .  0.8 . . mM . . . . 17226 2 
      2  D2O                  '[U-99% 2H]'             . .  .  .     . . 10   . . %  . . . . 17226 2 
      3  DSS                  'natural abundance'      . .  .  .     . .  0.1 . . mM . . . . 17226 2 
      4 'potassium phosphate' 'natural abundance'      . .  .  .     . . 20   . . mM . . . . 17226 2 
      5 'potassium cyanide'   'natural abundance'      . .  .  .     . .  2.4 . . mM . . . . 17226 2 
      6  EDTA                 'natural abundance'      . .  .  .     . . 50   . . uM . . . . 17226 2 
      7  H2O                  'natural abundance'      . .  .  .     . . 90   . . %  . . . . 17226 2 

   stop_

save_


#######################
#  Sample conditions  #
#######################

save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       17226
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

   loop_
      _Sample_condition_variable.Type
      _Sample_condition_variable.Val
      _Sample_condition_variable.Val_err
      _Sample_condition_variable.Val_units
      _Sample_condition_variable.Entry_ID
      _Sample_condition_variable.Sample_condition_list_ID

      temperature 273   . K   17226 1 
      pH            7.5 . pH  17226 1 
      pressure      1   . atm 17226 1 

   stop_

save_


############################
#  Computer software used  #
############################

save_VNMRJ
   _Software.Sf_category    software
   _Software.Sf_framecode   VNMRJ
   _Software.Entry_ID       17226
   _Software.ID             1
   _Software.Name           VNMRJ
   _Software.Version        2.1b
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      Varian . . 17226 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection 17226 1 

   stop_

save_


save_NMRPipe
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRPipe
   _Software.Entry_ID       17226
   _Software.ID             2
   _Software.Name           NMRPipe
   _Software.Version        5.0
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17226 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 17226 2 

   stop_

save_


save_NMRDraw
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRDraw
   _Software.Entry_ID       17226
   _Software.ID             3
   _Software.Name           NMRDraw
   _Software.Version        5.0
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17226 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 17226 3 

   stop_

save_


save_NMRView
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRView
   _Software.Entry_ID       17226
   _Software.ID             4
   _Software.Name           NMRView
   _Software.Version        5.2.2_01
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Johnson, One Moon Scientific' . . 17226 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment' 17226 4 

   stop_

save_


save_relax
   _Software.Sf_category    software
   _Software.Sf_framecode   relax
   _Software.Entry_ID       17226
   _Software.ID             5
   _Software.Name           relax
   _Software.Version        1.3
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Edward D'Auvergne' . . 17226 5 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      curvefitting 17226 5 

   stop_

save_


save_ModelFree
   _Software.Sf_category    software
   _Software.Sf_framecode   ModelFree
   _Software.Entry_ID       17226
   _Software.ID             6
   _Software.Name           ModelFree
   _Software.Version        4.20
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      Palmer . . 17226 6 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 17226 6 

   stop_

save_


#########################
#  Experimental detail  #
#########################

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_1
   _NMR_spectrometer.Entry_ID         17226
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Varian
   _NMR_spectrometer.Model            INOVA
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   500

save_


save_spectrometer_2
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_2
   _NMR_spectrometer.Entry_ID         17226
   _NMR_spectrometer.ID               2
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Varian
   _NMR_spectrometer.Model            INOVA
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_spectrometer_3
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_3
   _NMR_spectrometer.Entry_ID         17226
   _NMR_spectrometer.ID               3
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Varian
   _NMR_spectrometer.Model            INOVA
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800

save_


save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       17226
   _NMR_spectrometer_list.ID             1

   loop_
      _NMR_spectrometer_view.ID
      _NMR_spectrometer_view.Name
      _NMR_spectrometer_view.Manufacturer
      _NMR_spectrometer_view.Model
      _NMR_spectrometer_view.Serial_number
      _NMR_spectrometer_view.Field_strength
      _NMR_spectrometer_view.Details
      _NMR_spectrometer_view.Citation_ID
      _NMR_spectrometer_view.Citation_label
      _NMR_spectrometer_view.Entry_ID
      _NMR_spectrometer_view.NMR_spectrometer_list_ID

      1 spectrometer_1 Varian INOVA . 500 . . . 17226 1 
      2 spectrometer_2 Varian INOVA . 600 . . . 17226 1 
      3 spectrometer_3 Varian INOVA . 800 . . . 17226 1 

   stop_

save_


    #############################
    #  NMR applied experiments  #
    #############################

save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       17226
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NMR_spec_expt_ID
      _Experiment.NMR_spec_expt_label
      _Experiment.MS_expt_ID
      _Experiment.MS_expt_label
      _Experiment.SAXS_expt_ID
      _Experiment.SAXS_expt_label
      _Experiment.FRET_expt_ID
      _Experiment.FRET_expt_label
      _Experiment.EMR_expt_ID
      _Experiment.EMR_expt_label
      _Experiment.Sample_ID
      _Experiment.Sample_label
      _Experiment.Sample_state
      _Experiment.Sample_volume
      _Experiment.Sample_volume_units
      _Experiment.Sample_condition_list_ID
      _Experiment.Sample_condition_list_label
      _Experiment.Sample_spinning_rate
      _Experiment.Sample_angle
      _Experiment.NMR_tube_type
      _Experiment.NMR_spectrometer_ID
      _Experiment.NMR_spectrometer_label
      _Experiment.NMR_spectrometer_probe_ID
      _Experiment.NMR_spectrometer_probe_label
      _Experiment.NMR_spectral_processing_ID
      _Experiment.NMR_spectral_processing_label
      _Experiment.Mass_spectrometer_ID
      _Experiment.Mass_spectrometer_label
      _Experiment.X_ray_instrument_ID
      _Experiment.X_ray_instrument_label
      _Experiment.Fluorescence_instrument_ID
      _Experiment.Fluorescence_instrument_label
      _Experiment.EMR_instrument_ID
      _Experiment.EMR_instrument_label
      _Experiment.Chromatographic_system_ID
      _Experiment.Chromatographic_system_label
      _Experiment.Chromatographic_column_ID
      _Experiment.Chromatographic_column_label
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

       1 '2D 1H-15N HSQC'  no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17226 1 
       2 '2D 1H-15N HSQC'  no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       3 '2D 1H-15N HSQC'  no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17226 1 
       4 '2D 1H-15N HSQC'  no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       5 '3D CBCA(CO)NH'   no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       6 '3D C(CO)NH'      no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       7 '3D HNCO'         no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       8 '3D HNCACB'       no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
       9 '3D HCCH-TOCSY'   no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
      10 '3D H(CCO)NH'     no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
      11 '3D HNHB'         no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 
      12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 

   stop_

save_


####################
#  NMR parameters  #
####################

    ##############################
    #  Assigned chemical shifts  #
    ##############################

	################################
	#  Chemical shift referencing  #
	################################

save_chemical_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference_1
   _Chem_shift_reference.Entry_ID       17226
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details        .

   loop_
      _Chem_shift_ref.Atom_type
      _Chem_shift_ref.Atom_isotope_number
      _Chem_shift_ref.Mol_common_name
      _Chem_shift_ref.Atom_group
      _Chem_shift_ref.Concentration_val
      _Chem_shift_ref.Concentration_units
      _Chem_shift_ref.Solvent
      _Chem_shift_ref.Rank
      _Chem_shift_ref.Chem_shift_units
      _Chem_shift_ref.Chem_shift_val
      _Chem_shift_ref.Ref_method
      _Chem_shift_ref.Ref_type
      _Chem_shift_ref.Indirect_shift_ratio
      _Chem_shift_ref.External_ref_loc
      _Chem_shift_ref.External_ref_sample_geometry
      _Chem_shift_ref.External_ref_axis
      _Chem_shift_ref.Indirect_shift_ratio_cit_ID
      _Chem_shift_ref.Indirect_shift_ratio_cit_label
      _Chem_shift_ref.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Correction_val_cit_ID
      _Chem_shift_ref.Correction_val_cit_label
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      H  1 DSS 'methyl protons' . . . . ppm 0 internal direct   1.000000000 . . . . . . . . . 17226 1 
      C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17226 1 
      N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17226 1 

   stop_

save_


     ###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assignments_hbn
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assignments_hbn
   _Assigned_chem_shift_list.Entry_ID                      17226
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             0.03
   _Assigned_chem_shift_list.Chem_shift_13C_err            0.3
   _Assigned_chem_shift_list.Chem_shift_15N_err            0.3
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

       1 '2D 1H-15N HSQC'  . . . 17226 1 
       4 '2D 1H-15N HSQC'  . . . 17226 1 
       5 '3D CBCA(CO)NH'   . . . 17226 1 
       6 '3D C(CO)NH'      . . . 17226 1 
       7 '3D HNCO'         . . . 17226 1 
       8 '3D HNCACB'       . . . 17226 1 
       9 '3D HCCH-TOCSY'   . . . 17226 1 
      10 '3D H(CCO)NH'     . . . 17226 1 
      11 '3D HNHB'         . . . 17226 1 
      12 '3D 1H-13C NOESY' . . . 17226 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

         1 . 1 1   3   3 LEU HA   H  1   4.319 0.03 . 1 . . . .   3 LEU HA   . 17226 1 
         2 . 1 1   3   3 LEU HB2  H  1   1.622 0.03 . 2 . . . .   3 LEU HB1  . 17226 1 
         3 . 1 1   3   3 LEU HD11 H  1   0.882 0.03 . 2 . . . .   3 LEU HD11 . 17226 1 
         4 . 1 1   3   3 LEU HD12 H  1   0.882 0.03 . 2 . . . .   3 LEU HD11 . 17226 1 
         5 . 1 1   3   3 LEU HD13 H  1   0.882 0.03 . 2 . . . .   3 LEU HD11 . 17226 1 
         6 . 1 1   3   3 LEU HD21 H  1   0.929 0.03 . 2 . . . .   3 LEU HD21 . 17226 1 
         7 . 1 1   3   3 LEU HD22 H  1   0.929 0.03 . 2 . . . .   3 LEU HD21 . 17226 1 
         8 . 1 1   3   3 LEU HD23 H  1   0.929 0.03 . 2 . . . .   3 LEU HD21 . 17226 1 
         9 . 1 1   3   3 LEU HG   H  1   1.636 0.03 . 1 . . . .   3 LEU HG   . 17226 1 
        10 . 1 1   3   3 LEU C    C 13 177.750 0.30 . 1 . . . .   3 LEU C    . 17226 1 
        11 . 1 1   3   3 LEU CA   C 13  55.860 0.30 . 1 . . . .   3 LEU CA   . 17226 1 
        12 . 1 1   3   3 LEU CB   C 13  42.610 0.30 . 1 . . . .   3 LEU CB   . 17226 1 
        13 . 1 1   3   3 LEU CD1  C 13  23.880 0.30 . 1 . . . .   3 LEU CD1  . 17226 1 
        14 . 1 1   3   3 LEU CD2  C 13  24.834 0.30 . 1 . . . .   3 LEU CD2  . 17226 1 
        15 . 1 1   3   3 LEU CG   C 13  27.033 0.30 . 1 . . . .   3 LEU CG   . 17226 1 
        16 . 1 1   4   4 LEU H    H  1   8.440 0.03 . 1 . . . .   4 LEU HN   . 17226 1 
        17 . 1 1   4   4 LEU HA   H  1   4.307 0.03 . 1 . . . .   4 LEU HA   . 17226 1 
        18 . 1 1   4   4 LEU HB2  H  1   1.613 0.03 . 2 . . . .   4 LEU HB1  . 17226 1 
        19 . 1 1   4   4 LEU HB3  H  1   1.652 0.03 . 2 . . . .   4 LEU HB2  . 17226 1 
        20 . 1 1   4   4 LEU CA   C 13  55.577 0.30 . 1 . . . .   4 LEU CA   . 17226 1 
        21 . 1 1   4   4 LEU CB   C 13  42.070 0.30 . 1 . . . .   4 LEU CB   . 17226 1 
        22 . 1 1   4   4 LEU N    N 15 122.137 0.3  . 1 . . . .   4 LEU N    . 17226 1 
        23 . 1 1   5   5 SER H    H  1   8.220 0.03 . 1 . . . .   5 SER HN   . 17226 1 
        24 . 1 1   5   5 SER N    N 15 116.510 0.3  . 1 . . . .   5 SER N    . 17226 1 
        25 . 1 1   6   6 ARG HA   H  1   4.342 0.03 . 1 . . . .   6 ARG HA   . 17226 1 
        26 . 1 1   6   6 ARG HB2  H  1   1.851 0.03 . 2 . . . .   6 ARG HB1  . 17226 1 
        27 . 1 1   6   6 ARG HB3  H  1   1.775 0.03 . 2 . . . .   6 ARG HB2  . 17226 1 
        28 . 1 1   6   6 ARG C    C 13 176.310 0.30 . 1 . . . .   6 ARG C    . 17226 1 
        29 . 1 1   6   6 ARG CA   C 13  56.430 0.30 . 1 . . . .   6 ARG CA   . 17226 1 
        30 . 1 1   6   6 ARG CB   C 13  30.560 0.30 . 1 . . . .   6 ARG CB   . 17226 1 
        31 . 1 1   6   6 ARG CG   C 13  27.190 0.30 . 1 . . . .   6 ARG CG   . 17226 1 
        32 . 1 1   7   7 LEU H    H  1   8.091 0.03 . 1 . . . .   7 LEU HN   . 17226 1 
        33 . 1 1   7   7 LEU HA   H  1   4.325 0.03 . 1 . . . .   7 LEU HA   . 17226 1 
        34 . 1 1   7   7 LEU HB2  H  1   1.643 0.03 . 2 . . . .   7 LEU HB1  . 17226 1 
        35 . 1 1   7   7 LEU C    C 13 177.236 0.30 . 1 . . . .   7 LEU C    . 17226 1 
        36 . 1 1   7   7 LEU CA   C 13  55.310 0.30 . 1 . . . .   7 LEU CA   . 17226 1 
        37 . 1 1   7   7 LEU CB   C 13  42.270 0.30 . 1 . . . .   7 LEU CB   . 17226 1 
        38 . 1 1   7   7 LEU N    N 15 122.040 0.3  . 1 . . . .   7 LEU N    . 17226 1 
        39 . 1 1   8   8 ARG H    H  1   8.214 0.03 . 1 . . . .   8 ARG HN   . 17226 1 
        40 . 1 1   8   8 ARG CA   C 13  56.050 0.30 . 1 . . . .   8 ARG CA   . 17226 1 
        41 . 1 1   8   8 ARG CB   C 13  30.816 0.30 . 1 . . . .   8 ARG CB   . 17226 1 
        42 . 1 1   8   8 ARG N    N 15 121.835 0.3  . 1 . . . .   8 ARG N    . 17226 1 
        43 . 1 1   9   9 LYS C    C 13 176.220 0.30 . 1 . . . .   9 LYS C    . 17226 1 
        44 . 1 1   9   9 LYS CA   C 13  56.376 0.30 . 1 . . . .   9 LYS CA   . 17226 1 
        45 . 1 1   9   9 LYS CB   C 13  33.130 0.30 . 1 . . . .   9 LYS CB   . 17226 1 
        46 . 1 1   9   9 LYS CD   C 13  29.233 0.30 . 1 . . . .   9 LYS CD   . 17226 1 
        47 . 1 1  10  10 ARG H    H  1   8.380 0.03 . 1 . . . .  10 ARG HN   . 17226 1 
        48 . 1 1  10  10 ARG HA   H  1   4.323 0.03 . 1 . . . .  10 ARG HA   . 17226 1 
        49 . 1 1  10  10 ARG HB2  H  1   1.842 0.03 . 2 . . . .  10 ARG HB1  . 17226 1 
        50 . 1 1  10  10 ARG HB3  H  1   1.774 0.03 . 2 . . . .  10 ARG HB2  . 17226 1 
        51 . 1 1  10  10 ARG HD2  H  1   3.208 0.03 . 2 . . . .  10 ARG HD1  . 17226 1 
        52 . 1 1  10  10 ARG HD3  H  1   3.313 0.03 . 2 . . . .  10 ARG HD2  . 17226 1 
        53 . 1 1  10  10 ARG C    C 13 175.900 0.30 . 1 . . . .  10 ARG C    . 17226 1 
        54 . 1 1  10  10 ARG CA   C 13  56.060 0.30 . 1 . . . .  10 ARG CA   . 17226 1 
        55 . 1 1  10  10 ARG CB   C 13  30.980 0.30 . 1 . . . .  10 ARG CB   . 17226 1 
        56 . 1 1  10  10 ARG CD   C 13  43.517 0.30 . 1 . . . .  10 ARG CD   . 17226 1 
        57 . 1 1  10  10 ARG CG   C 13  27.070 0.30 . 1 . . . .  10 ARG CG   . 17226 1 
        58 . 1 1  10  10 ARG N    N 15 122.308 0.3  . 1 . . . .  10 ARG N    . 17226 1 
        59 . 1 1  11  11 GLU H    H  1   8.425 0.03 . 1 . . . .  11 GLU HN   . 17226 1 
        60 . 1 1  11  11 GLU HA   H  1   4.580 0.03 . 1 . . . .  11 GLU HA   . 17226 1 
        61 . 1 1  11  11 GLU HB2  H  1   2.050 0.03 . 2 . . . .  11 GLU HB1  . 17226 1 
        62 . 1 1  11  11 GLU HB3  H  1   1.890 0.03 . 2 . . . .  11 GLU HB2  . 17226 1 
        63 . 1 1  11  11 GLU CA   C 13  54.430 0.30 . 1 . . . .  11 GLU CA   . 17226 1 
        64 . 1 1  11  11 GLU CB   C 13  29.597 0.30 . 1 . . . .  11 GLU CB   . 17226 1 
        65 . 1 1  11  11 GLU N    N 15 123.269 0.3  . 1 . . . .  11 GLU N    . 17226 1 
        66 . 1 1  12  12 PRO HA   H  1   4.458 0.03 . 1 . . . .  12 PRO HA   . 17226 1 
        67 . 1 1  12  12 PRO HB2  H  1   2.286 0.03 . 2 . . . .  12 PRO HB1  . 17226 1 
        68 . 1 1  12  12 PRO HB3  H  1   1.982 0.03 . 2 . . . .  12 PRO HB2  . 17226 1 
        69 . 1 1  12  12 PRO HD2  H  1   3.831 0.03 . 2 . . . .  12 PRO HD1  . 17226 1 
        70 . 1 1  12  12 PRO HD3  H  1   3.685 0.03 . 2 . . . .  12 PRO HD2  . 17226 1 
        71 . 1 1  12  12 PRO HG2  H  1   2.052 0.03 . 2 . . . .  12 PRO HG1  . 17226 1 
        72 . 1 1  12  12 PRO C    C 13 176.360 0.30 . 1 . . . .  12 PRO C    . 17226 1 
        73 . 1 1  12  12 PRO CA   C 13  63.170 0.30 . 1 . . . .  12 PRO CA   . 17226 1 
        74 . 1 1  12  12 PRO CB   C 13  31.930 0.30 . 1 . . . .  12 PRO CB   . 17226 1 
        75 . 1 1  12  12 PRO CG   C 13  27.460 0.30 . 1 . . . .  12 PRO CG   . 17226 1 
        76 . 1 1  13  13 ILE H    H  1   8.360 0.03 . 1 . . . .  13 ILE HN   . 17226 1 
        77 . 1 1  13  13 ILE HA   H  1   4.363 0.03 . 1 . . . .  13 ILE HA   . 17226 1 
        78 . 1 1  13  13 ILE HB   H  1   1.890 0.03 . 1 . . . .  13 ILE HB   . 17226 1 
        79 . 1 1  13  13 ILE HD11 H  1   0.854 0.03 . 1 . . . .  13 ILE HD11 . 17226 1 
        80 . 1 1  13  13 ILE HD12 H  1   0.854 0.03 . 1 . . . .  13 ILE HD11 . 17226 1 
        81 . 1 1  13  13 ILE HD13 H  1   0.854 0.03 . 1 . . . .  13 ILE HD11 . 17226 1 
        82 . 1 1  13  13 ILE HG21 H  1   0.978 0.03 . 1 . . . .  13 ILE HG21 . 17226 1 
        83 . 1 1  13  13 ILE HG22 H  1   0.978 0.03 . 1 . . . .  13 ILE HG21 . 17226 1 
        84 . 1 1  13  13 ILE HG23 H  1   0.978 0.03 . 1 . . . .  13 ILE HG21 . 17226 1 
        85 . 1 1  13  13 ILE C    C 13 175.920 0.30 . 1 . . . .  13 ILE C    . 17226 1 
        86 . 1 1  13  13 ILE CA   C 13  61.030 0.30 . 1 . . . .  13 ILE CA   . 17226 1 
        87 . 1 1  13  13 ILE CB   C 13  39.590 0.30 . 1 . . . .  13 ILE CB   . 17226 1 
        88 . 1 1  13  13 ILE CD1  C 13  13.114 0.30 . 1 . . . .  13 ILE CD1  . 17226 1 
        89 . 1 1  13  13 ILE CG1  C 13  27.210 0.30 . 1 . . . .  13 ILE CG1  . 17226 1 
        90 . 1 1  13  13 ILE CG2  C 13  17.518 0.30 . 1 . . . .  13 ILE CG2  . 17226 1 
        91 . 1 1  13  13 ILE N    N 15 120.808 0.3  . 1 . . . .  13 ILE N    . 17226 1 
        92 . 1 1  14  14 SER H    H  1   8.738 0.03 . 1 . . . .  14 SER HN   . 17226 1 
        93 . 1 1  14  14 SER HA   H  1   4.568 0.03 . 1 . . . .  14 SER HA   . 17226 1 
        94 . 1 1  14  14 SER HB2  H  1   4.199 0.03 . 2 . . . .  14 SER HB1  . 17226 1 
        95 . 1 1  14  14 SER C    C 13 175.020 0.30 . 1 . . . .  14 SER C    . 17226 1 
        96 . 1 1  14  14 SER CA   C 13  57.210 0.30 . 1 . . . .  14 SER CA   . 17226 1 
        97 . 1 1  14  14 SER CB   C 13  65.560 0.30 . 1 . . . .  14 SER CB   . 17226 1 
        98 . 1 1  14  14 SER N    N 15 120.053 0.3  . 1 . . . .  14 SER N    . 17226 1 
        99 . 1 1  15  15 ILE H    H  1   9.197 0.03 . 1 . . . .  15 ILE HN   . 17226 1 
       100 . 1 1  15  15 ILE HA   H  1   3.558 0.03 . 1 . . . .  15 ILE HA   . 17226 1 
       101 . 1 1  15  15 ILE HB   H  1   1.939 0.03 . 1 . . . .  15 ILE HB   . 17226 1 
       102 . 1 1  15  15 ILE C    C 13 177.010 0.30 . 1 . . . .  15 ILE C    . 17226 1 
       103 . 1 1  15  15 ILE CA   C 13  66.310 0.30 . 1 . . . .  15 ILE CA   . 17226 1 
       104 . 1 1  15  15 ILE CB   C 13  37.290 0.30 . 1 . . . .  15 ILE CB   . 17226 1 
       105 . 1 1  15  15 ILE CG2  C 13  19.560 0.30 . 1 . . . .  15 ILE CG2  . 17226 1 
       106 . 1 1  15  15 ILE N    N 15 123.057 0.3  . 1 . . . .  15 ILE N    . 17226 1 
       107 . 1 1  16  16 TYR H    H  1   8.289 0.03 . 1 . . . .  16 TYR HN   . 17226 1 
       108 . 1 1  16  16 TYR HA   H  1   3.675 0.03 . 1 . . . .  16 TYR HA   . 17226 1 
       109 . 1 1  16  16 TYR HB2  H  1   2.772 0.03 . 2 . . . .  16 TYR HB1  . 17226 1 
       110 . 1 1  16  16 TYR HB3  H  1   2.582 0.03 . 2 . . . .  16 TYR HB2  . 17226 1 
       111 . 1 1  16  16 TYR C    C 13 175.650 0.30 . 1 . . . .  16 TYR C    . 17226 1 
       112 . 1 1  16  16 TYR CA   C 13  61.968 0.30 . 1 . . . .  16 TYR CA   . 17226 1 
       113 . 1 1  16  16 TYR CB   C 13  39.077 0.30 . 1 . . . .  16 TYR CB   . 17226 1 
       114 . 1 1  16  16 TYR N    N 15 118.150 0.3  . 1 . . . .  16 TYR N    . 17226 1 
       115 . 1 1  17  17 ASP H    H  1   8.075 0.03 . 1 . . . .  17 ASP HN   . 17226 1 
       116 . 1 1  17  17 ASP HA   H  1   4.291 0.03 . 1 . . . .  17 ASP HA   . 17226 1 
       117 . 1 1  17  17 ASP HB2  H  1   2.870 0.03 . 2 . . . .  17 ASP HB1  . 17226 1 
       118 . 1 1  17  17 ASP HB3  H  1   2.664 0.03 . 2 . . . .  17 ASP HB2  . 17226 1 
       119 . 1 1  17  17 ASP C    C 13 179.864 0.30 . 1 . . . .  17 ASP C    . 17226 1 
       120 . 1 1  17  17 ASP CA   C 13  57.130 0.30 . 1 . . . .  17 ASP CA   . 17226 1 
       121 . 1 1  17  17 ASP CB   C 13  41.084 0.30 . 1 . . . .  17 ASP CB   . 17226 1 
       122 . 1 1  17  17 ASP N    N 15 118.560 0.3  . 1 . . . .  17 ASP N    . 17226 1 
       123 . 1 1  18  18 LYS H    H  1   8.390 0.03 . 1 . . . .  18 LYS HN   . 17226 1 
       124 . 1 1  18  18 LYS HA   H  1   3.983 0.03 . 1 . . . .  18 LYS HA   . 17226 1 
       125 . 1 1  18  18 LYS HB2  H  1   2.026 0.03 . 2 . . . .  18 LYS HB1  . 17226 1 
       126 . 1 1  18  18 LYS HB3  H  1   1.957 0.03 . 2 . . . .  18 LYS HB2  . 17226 1 
       127 . 1 1  18  18 LYS C    C 13 179.240 0.30 . 1 . . . .  18 LYS C    . 17226 1 
       128 . 1 1  18  18 LYS CA   C 13  60.035 0.30 . 1 . . . .  18 LYS CA   . 17226 1 
       129 . 1 1  18  18 LYS CB   C 13  32.950 0.30 . 1 . . . .  18 LYS CB   . 17226 1 
       130 . 1 1  18  18 LYS N    N 15 121.690 0.3  . 1 . . . .  18 LYS N    . 17226 1 
       131 . 1 1  19  19 ILE H    H  1   8.058 0.03 . 1 . . . .  19 ILE HN   . 17226 1 
       132 . 1 1  19  19 ILE HA   H  1   4.394 0.03 . 1 . . . .  19 ILE HA   . 17226 1 
       133 . 1 1  19  19 ILE HB   H  1   2.040 0.03 . 1 . . . .  19 ILE HB   . 17226 1 
       134 . 1 1  19  19 ILE C    C 13 174.670 0.30 . 1 . . . .  19 ILE C    . 17226 1 
       135 . 1 1  19  19 ILE CA   C 13  61.873 0.30 . 1 . . . .  19 ILE CA   . 17226 1 
       136 . 1 1  19  19 ILE CB   C 13  38.570 0.30 . 1 . . . .  19 ILE CB   . 17226 1 
       137 . 1 1  19  19 ILE N    N 15 110.065 0.3  . 1 . . . .  19 ILE N    . 17226 1 
       138 . 1 1  20  20 GLY H    H  1   7.155 0.03 . 1 . . . .  20 GLY HN   . 17226 1 
       139 . 1 1  20  20 GLY HA2  H  1   4.454 0.03 . 2 . . . .  20 GLY HA1  . 17226 1 
       140 . 1 1  20  20 GLY HA3  H  1   3.640 0.03 . 2 . . . .  20 GLY HA2  . 17226 1 
       141 . 1 1  20  20 GLY C    C 13 175.650 0.30 . 1 . . . .  20 GLY C    . 17226 1 
       142 . 1 1  20  20 GLY CA   C 13  44.740 0.30 . 1 . . . .  20 GLY CA   . 17226 1 
       143 . 1 1  20  20 GLY N    N 15 105.040 0.3  . 1 . . . .  20 GLY N    . 17226 1 
       144 . 1 1  21  21 GLY H    H  1   8.110 0.03 . 1 . . . .  21 GLY HN   . 17226 1 
       145 . 1 1  21  21 GLY HA2  H  1   3.652 0.03 . 2 . . . .  21 GLY HA1  . 17226 1 
       146 . 1 1  21  21 GLY HA3  H  1   1.821 0.03 . 2 . . . .  21 GLY HA2  . 17226 1 
       147 . 1 1  21  21 GLY C    C 13 173.706 0.30 . 1 . . . .  21 GLY C    . 17226 1 
       148 . 1 1  21  21 GLY CA   C 13  44.500 0.30 . 1 . . . .  21 GLY CA   . 17226 1 
       149 . 1 1  21  21 GLY N    N 15 109.413 0.3  . 1 . . . .  21 GLY N    . 17226 1 
       150 . 1 1  22  22 HIS H    H  1   8.132 0.03 . 1 . . . .  22 HIS HN   . 17226 1 
       151 . 1 1  22  22 HIS HA   H  1   3.782 0.03 . 1 . . . .  22 HIS HA   . 17226 1 
       152 . 1 1  22  22 HIS HB2  H  1   3.404 0.03 . 2 . . . .  22 HIS HB1  . 17226 1 
       153 . 1 1  22  22 HIS HB3  H  1   3.231 0.03 . 2 . . . .  22 HIS HB2  . 17226 1 
       154 . 1 1  22  22 HIS C    C 13 176.970 0.30 . 1 . . . .  22 HIS C    . 17226 1 
       155 . 1 1  22  22 HIS CA   C 13  62.050 0.30 . 1 . . . .  22 HIS CA   . 17226 1 
       156 . 1 1  22  22 HIS CB   C 13  30.470 0.30 . 1 . . . .  22 HIS CB   . 17226 1 
       157 . 1 1  22  22 HIS N    N 15 120.543 0.3  . 1 . . . .  22 HIS N    . 17226 1 
       158 . 1 1  23  23 GLU H    H  1   9.120 0.03 . 1 . . . .  23 GLU HN   . 17226 1 
       159 . 1 1  23  23 GLU HA   H  1   4.127 0.03 . 1 . . . .  23 GLU HA   . 17226 1 
       160 . 1 1  23  23 GLU HB2  H  1   2.425 0.03 . 2 . . . .  23 GLU HB1  . 17226 1 
       161 . 1 1  23  23 GLU HB3  H  1   2.110 0.03 . 2 . . . .  23 GLU HB2  . 17226 1 
       162 . 1 1  23  23 GLU C    C 13 178.780 0.30 . 1 . . . .  23 GLU C    . 17226 1 
       163 . 1 1  23  23 GLU CA   C 13  59.910 0.30 . 1 . . . .  23 GLU CA   . 17226 1 
       164 . 1 1  23  23 GLU CB   C 13  29.417 0.30 . 1 . . . .  23 GLU CB   . 17226 1 
       165 . 1 1  23  23 GLU N    N 15 116.550 0.3  . 1 . . . .  23 GLU N    . 17226 1 
       166 . 1 1  24  24 ALA H    H  1   6.712 0.03 . 1 . . . .  24 ALA HN   . 17226 1 
       167 . 1 1  24  24 ALA HA   H  1   4.280 0.03 . 1 . . . .  24 ALA HA   . 17226 1 
       168 . 1 1  24  24 ALA HB1  H  1   1.363 0.03 . 1 . . . .  24 ALA HB1  . 17226 1 
       169 . 1 1  24  24 ALA HB2  H  1   1.363 0.03 . 1 . . . .  24 ALA HB1  . 17226 1 
       170 . 1 1  24  24 ALA HB3  H  1   1.363 0.03 . 1 . . . .  24 ALA HB1  . 17226 1 
       171 . 1 1  24  24 ALA C    C 13 179.826 0.30 . 1 . . . .  24 ALA C    . 17226 1 
       172 . 1 1  24  24 ALA CA   C 13  54.455 0.30 . 1 . . . .  24 ALA CA   . 17226 1 
       173 . 1 1  24  24 ALA CB   C 13  19.683 0.30 . 1 . . . .  24 ALA CB   . 17226 1 
       174 . 1 1  24  24 ALA N    N 15 119.810 0.3  . 1 . . . .  24 ALA N    . 17226 1 
       175 . 1 1  25  25 ILE H    H  1   7.775 0.03 . 1 . . . .  25 ILE HN   . 17226 1 
       176 . 1 1  25  25 ILE HA   H  1   3.437 0.03 . 1 . . . .  25 ILE HA   . 17226 1 
       177 . 1 1  25  25 ILE HB   H  1   1.959 0.03 . 1 . . . .  25 ILE HB   . 17226 1 
       178 . 1 1  25  25 ILE C    C 13 177.390 0.30 . 1 . . . .  25 ILE C    . 17226 1 
       179 . 1 1  25  25 ILE CA   C 13  65.380 0.30 . 1 . . . .  25 ILE CA   . 17226 1 
       180 . 1 1  25  25 ILE CB   C 13  37.360 0.30 . 1 . . . .  25 ILE CB   . 17226 1 
       181 . 1 1  25  25 ILE CG1  C 13  30.064 0.30 . 1 . . . .  25 ILE CG1  . 17226 1 
       182 . 1 1  25  25 ILE N    N 15 117.560 0.3  . 1 . . . .  25 ILE N    . 17226 1 
       183 . 1 1  26  26 GLU H    H  1   8.538 0.03 . 1 . . . .  26 GLU HN   . 17226 1 
       184 . 1 1  26  26 GLU HA   H  1   4.042 0.03 . 1 . . . .  26 GLU HA   . 17226 1 
       185 . 1 1  26  26 GLU HB2  H  1   2.340 0.03 . 2 . . . .  26 GLU HB1  . 17226 1 
       186 . 1 1  26  26 GLU HB3  H  1   2.240 0.03 . 2 . . . .  26 GLU HB2  . 17226 1 
       187 . 1 1  26  26 GLU C    C 13 178.910 0.30 . 1 . . . .  26 GLU C    . 17226 1 
       188 . 1 1  26  26 GLU CA   C 13  61.022 0.30 . 1 . . . .  26 GLU CA   . 17226 1 
       189 . 1 1  26  26 GLU CB   C 13  29.959 0.30 . 1 . . . .  26 GLU CB   . 17226 1 
       190 . 1 1  26  26 GLU N    N 15 119.061 0.3  . 1 . . . .  26 GLU N    . 17226 1 
       191 . 1 1  27  27 VAL H    H  1   7.312 0.03 . 1 . . . .  27 VAL HN   . 17226 1 
       192 . 1 1  27  27 VAL HA   H  1   3.948 0.03 . 1 . . . .  27 VAL HA   . 17226 1 
       193 . 1 1  27  27 VAL HB   H  1   2.373 0.03 . 1 . . . .  27 VAL HB   . 17226 1 
       194 . 1 1  27  27 VAL HG11 H  1   1.262 0.03 . 2 . . . .  27 VAL HG11 . 17226 1 
       195 . 1 1  27  27 VAL HG12 H  1   1.262 0.03 . 2 . . . .  27 VAL HG11 . 17226 1 
       196 . 1 1  27  27 VAL HG13 H  1   1.262 0.03 . 2 . . . .  27 VAL HG11 . 17226 1 
       197 . 1 1  27  27 VAL HG21 H  1   1.148 0.03 . 2 . . . .  27 VAL HG21 . 17226 1 
       198 . 1 1  27  27 VAL HG22 H  1   1.148 0.03 . 2 . . . .  27 VAL HG21 . 17226 1 
       199 . 1 1  27  27 VAL HG23 H  1   1.148 0.03 . 2 . . . .  27 VAL HG21 . 17226 1 
       200 . 1 1  27  27 VAL C    C 13 179.238 0.30 . 1 . . . .  27 VAL C    . 17226 1 
       201 . 1 1  27  27 VAL CA   C 13  66.387 0.30 . 1 . . . .  27 VAL CA   . 17226 1 
       202 . 1 1  27  27 VAL CB   C 13  32.330 0.30 . 1 . . . .  27 VAL CB   . 17226 1 
       203 . 1 1  27  27 VAL CG1  C 13  22.607 0.30 . 1 . . . .  27 VAL CG1  . 17226 1 
       204 . 1 1  27  27 VAL CG2  C 13  21.253 0.30 . 1 . . . .  27 VAL CG2  . 17226 1 
       205 . 1 1  27  27 VAL N    N 15 118.128 0.3  . 1 . . . .  27 VAL N    . 17226 1 
       206 . 1 1  28  28 VAL H    H  1   8.069 0.03 . 1 . . . .  28 VAL HN   . 17226 1 
       207 . 1 1  28  28 VAL HA   H  1   3.857 0.03 . 1 . . . .  28 VAL HA   . 17226 1 
       208 . 1 1  28  28 VAL HB   H  1   2.222 0.03 . 1 . . . .  28 VAL HB   . 17226 1 
       209 . 1 1  28  28 VAL HG11 H  1   1.019 0.03 . 2 . . . .  28 VAL HG11 . 17226 1 
       210 . 1 1  28  28 VAL HG12 H  1   1.019 0.03 . 2 . . . .  28 VAL HG11 . 17226 1 
       211 . 1 1  28  28 VAL HG13 H  1   1.019 0.03 . 2 . . . .  28 VAL HG11 . 17226 1 
       212 . 1 1  28  28 VAL HG21 H  1   0.812 0.03 . 2 . . . .  28 VAL HG21 . 17226 1 
       213 . 1 1  28  28 VAL HG22 H  1   0.812 0.03 . 2 . . . .  28 VAL HG21 . 17226 1 
       214 . 1 1  28  28 VAL HG23 H  1   0.812 0.03 . 2 . . . .  28 VAL HG21 . 17226 1 
       215 . 1 1  28  28 VAL C    C 13 177.730 0.30 . 1 . . . .  28 VAL C    . 17226 1 
       216 . 1 1  28  28 VAL CA   C 13  66.667 0.30 . 1 . . . .  28 VAL CA   . 17226 1 
       217 . 1 1  28  28 VAL CB   C 13  31.960 0.30 . 1 . . . .  28 VAL CB   . 17226 1 
       218 . 1 1  28  28 VAL CG1  C 13  23.408 0.30 . 1 . . . .  28 VAL CG1  . 17226 1 
       219 . 1 1  28  28 VAL CG2  C 13  20.600 0.30 . 1 . . . .  28 VAL CG2  . 17226 1 
       220 . 1 1  28  28 VAL N    N 15 121.437 0.3  . 1 . . . .  28 VAL N    . 17226 1 
       221 . 1 1  29  29 VAL H    H  1   9.144 0.03 . 1 . . . .  29 VAL HN   . 17226 1 
       222 . 1 1  29  29 VAL HA   H  1   4.149 0.03 . 1 . . . .  29 VAL HA   . 17226 1 
       223 . 1 1  29  29 VAL HB   H  1   2.573 0.03 . 1 . . . .  29 VAL HB   . 17226 1 
       224 . 1 1  29  29 VAL HG11 H  1   1.279 0.03 . 2 . . . .  29 VAL HG11 . 17226 1 
       225 . 1 1  29  29 VAL HG12 H  1   1.279 0.03 . 2 . . . .  29 VAL HG11 . 17226 1 
       226 . 1 1  29  29 VAL HG13 H  1   1.279 0.03 . 2 . . . .  29 VAL HG11 . 17226 1 
       227 . 1 1  29  29 VAL HG21 H  1   2.135 0.03 . 2 . . . .  29 VAL HG21 . 17226 1 
       228 . 1 1  29  29 VAL HG22 H  1   2.135 0.03 . 2 . . . .  29 VAL HG21 . 17226 1 
       229 . 1 1  29  29 VAL HG23 H  1   2.135 0.03 . 2 . . . .  29 VAL HG21 . 17226 1 
       230 . 1 1  29  29 VAL C    C 13 177.550 0.30 . 1 . . . .  29 VAL C    . 17226 1 
       231 . 1 1  29  29 VAL CA   C 13  68.040 0.30 . 1 . . . .  29 VAL CA   . 17226 1 
       232 . 1 1  29  29 VAL CB   C 13  31.756 0.30 . 1 . . . .  29 VAL CB   . 17226 1 
       233 . 1 1  29  29 VAL CG1  C 13  25.060 0.30 . 1 . . . .  29 VAL CG1  . 17226 1 
       234 . 1 1  29  29 VAL CG2  C 13  23.271 0.30 . 1 . . . .  29 VAL CG2  . 17226 1 
       235 . 1 1  29  29 VAL N    N 15 119.696 0.3  . 1 . . . .  29 VAL N    . 17226 1 
       236 . 1 1  30  30 GLU H    H  1   8.240 0.03 . 1 . . . .  30 GLU HN   . 17226 1 
       237 . 1 1  30  30 GLU HA   H  1   4.579 0.03 . 1 . . . .  30 GLU HA   . 17226 1 
       238 . 1 1  30  30 GLU HB2  H  1   2.460 0.03 . 2 . . . .  30 GLU HB1  . 17226 1 
       239 . 1 1  30  30 GLU HG2  H  1   2.710 0.03 . 2 . . . .  30 GLU HG1  . 17226 1 
       240 . 1 1  30  30 GLU HG3  H  1   2.570 0.03 . 2 . . . .  30 GLU HG2  . 17226 1 
       241 . 1 1  30  30 GLU C    C 13 179.017 0.30 . 1 . . . .  30 GLU C    . 17226 1 
       242 . 1 1  30  30 GLU CA   C 13  60.345 0.30 . 1 . . . .  30 GLU CA   . 17226 1 
       243 . 1 1  30  30 GLU CB   C 13  29.679 0.30 . 1 . . . .  30 GLU CB   . 17226 1 
       244 . 1 1  30  30 GLU CG   C 13  35.570 0.30 . 1 . . . .  30 GLU CG   . 17226 1 
       245 . 1 1  30  30 GLU N    N 15 119.440 0.3  . 1 . . . .  30 GLU N    . 17226 1 
       246 . 1 1  31  31 ASP H    H  1   7.839 0.03 . 1 . . . .  31 ASP HN   . 17226 1 
       247 . 1 1  31  31 ASP HA   H  1   4.753 0.03 . 1 . . . .  31 ASP HA   . 17226 1 
       248 . 1 1  31  31 ASP HB2  H  1   3.047 0.03 . 2 . . . .  31 ASP HB1  . 17226 1 
       249 . 1 1  31  31 ASP C    C 13 178.023 0.30 . 1 . . . .  31 ASP C    . 17226 1 
       250 . 1 1  31  31 ASP CA   C 13  57.878 0.30 . 1 . . . .  31 ASP CA   . 17226 1 
       251 . 1 1  31  31 ASP CB   C 13  42.877 0.30 . 1 . . . .  31 ASP CB   . 17226 1 
       252 . 1 1  31  31 ASP N    N 15 119.117 0.3  . 1 . . . .  31 ASP N    . 17226 1 
       253 . 1 1  32  32 PHE H    H  1   9.595 0.03 . 1 . . . .  32 PHE HN   . 17226 1 
       254 . 1 1  32  32 PHE HA   H  1   4.102 0.03 . 1 . . . .  32 PHE HA   . 17226 1 
       255 . 1 1  32  32 PHE HB2  H  1   3.359 0.03 . 2 . . . .  32 PHE HB1  . 17226 1 
       256 . 1 1  32  32 PHE C    C 13 177.053 0.30 . 1 . . . .  32 PHE C    . 17226 1 
       257 . 1 1  32  32 PHE CA   C 13  60.980 0.30 . 1 . . . .  32 PHE CA   . 17226 1 
       258 . 1 1  32  32 PHE CB   C 13  39.930 0.30 . 1 . . . .  32 PHE CB   . 17226 1 
       259 . 1 1  32  32 PHE N    N 15 120.187 0.3  . 1 . . . .  32 PHE N    . 17226 1 
       260 . 1 1  33  33 TYR H    H  1   8.793 0.03 . 1 . . . .  33 TYR HN   . 17226 1 
       261 . 1 1  33  33 TYR HA   H  1   4.874 0.03 . 1 . . . .  33 TYR HA   . 17226 1 
       262 . 1 1  33  33 TYR HB2  H  1   3.761 0.03 . 2 . . . .  33 TYR HB1  . 17226 1 
       263 . 1 1  33  33 TYR HB3  H  1   3.585 0.03 . 2 . . . .  33 TYR HB2  . 17226 1 
       264 . 1 1  33  33 TYR C    C 13 179.046 0.30 . 1 . . . .  33 TYR C    . 17226 1 
       265 . 1 1  33  33 TYR CA   C 13  65.230 0.30 . 1 . . . .  33 TYR CA   . 17226 1 
       266 . 1 1  33  33 TYR CB   C 13  38.936 0.30 . 1 . . . .  33 TYR CB   . 17226 1 
       267 . 1 1  33  33 TYR N    N 15 115.228 0.3  . 1 . . . .  33 TYR N    . 17226 1 
       268 . 1 1  34  34 VAL H    H  1   8.203 0.03 . 1 . . . .  34 VAL HN   . 17226 1 
       269 . 1 1  34  34 VAL HA   H  1   3.883 0.03 . 1 . . . .  34 VAL HA   . 17226 1 
       270 . 1 1  34  34 VAL HB   H  1   2.740 0.03 . 1 . . . .  34 VAL HB   . 17226 1 
       271 . 1 1  34  34 VAL HG11 H  1   1.415 0.03 . 2 . . . .  34 VAL HG11 . 17226 1 
       272 . 1 1  34  34 VAL HG12 H  1   1.415 0.03 . 2 . . . .  34 VAL HG11 . 17226 1 
       273 . 1 1  34  34 VAL HG13 H  1   1.415 0.03 . 2 . . . .  34 VAL HG11 . 17226 1 
       274 . 1 1  34  34 VAL HG21 H  1   1.090 0.03 . 2 . . . .  34 VAL HG21 . 17226 1 
       275 . 1 1  34  34 VAL HG22 H  1   1.090 0.03 . 2 . . . .  34 VAL HG21 . 17226 1 
       276 . 1 1  34  34 VAL HG23 H  1   1.090 0.03 . 2 . . . .  34 VAL HG21 . 17226 1 
       277 . 1 1  34  34 VAL C    C 13 179.360 0.30 . 1 . . . .  34 VAL C    . 17226 1 
       278 . 1 1  34  34 VAL CA   C 13  67.549 0.30 . 1 . . . .  34 VAL CA   . 17226 1 
       279 . 1 1  34  34 VAL CB   C 13  31.320 0.30 . 1 . . . .  34 VAL CB   . 17226 1 
       280 . 1 1  34  34 VAL CG1  C 13  23.394 0.30 . 1 . . . .  34 VAL CG1  . 17226 1 
       281 . 1 1  34  34 VAL CG2  C 13  21.580 0.30 . 1 . . . .  34 VAL CG2  . 17226 1 
       282 . 1 1  34  34 VAL N    N 15 123.021 0.3  . 1 . . . .  34 VAL N    . 17226 1 
       283 . 1 1  35  35 ARG H    H  1   7.801 0.03 . 1 . . . .  35 ARG HN   . 17226 1 
       284 . 1 1  35  35 ARG HA   H  1   3.840 0.03 . 1 . . . .  35 ARG HA   . 17226 1 
       285 . 1 1  35  35 ARG HB2  H  1   2.053 0.03 . 2 . . . .  35 ARG HB1  . 17226 1 
       286 . 1 1  35  35 ARG HB3  H  1   1.882 0.03 . 2 . . . .  35 ARG HB2  . 17226 1 
       287 . 1 1  35  35 ARG C    C 13 178.889 0.30 . 1 . . . .  35 ARG C    . 17226 1 
       288 . 1 1  35  35 ARG CA   C 13  58.962 0.30 . 1 . . . .  35 ARG CA   . 17226 1 
       289 . 1 1  35  35 ARG CB   C 13  29.235 0.30 . 1 . . . .  35 ARG CB   . 17226 1 
       290 . 1 1  35  35 ARG N    N 15 119.340 0.3  . 1 . . . .  35 ARG N    . 17226 1 
       291 . 1 1  36  36 VAL H    H  1   8.423 0.03 . 1 . . . .  36 VAL HN   . 17226 1 
       292 . 1 1  36  36 VAL HA   H  1   3.162 0.03 . 1 . . . .  36 VAL HA   . 17226 1 
       293 . 1 1  36  36 VAL HB   H  1   2.324 0.03 . 1 . . . .  36 VAL HB   . 17226 1 
       294 . 1 1  36  36 VAL HG11 H  1   0.772 0.03 . 2 . . . .  36 VAL HG11 . 17226 1 
       295 . 1 1  36  36 VAL HG12 H  1   0.772 0.03 . 2 . . . .  36 VAL HG11 . 17226 1 
       296 . 1 1  36  36 VAL HG13 H  1   0.772 0.03 . 2 . . . .  36 VAL HG11 . 17226 1 
       297 . 1 1  36  36 VAL HG21 H  1   1.172 0.03 . 2 . . . .  36 VAL HG21 . 17226 1 
       298 . 1 1  36  36 VAL HG22 H  1   1.172 0.03 . 2 . . . .  36 VAL HG21 . 17226 1 
       299 . 1 1  36  36 VAL HG23 H  1   1.172 0.03 . 2 . . . .  36 VAL HG21 . 17226 1 
       300 . 1 1  36  36 VAL C    C 13 177.649 0.30 . 1 . . . .  36 VAL C    . 17226 1 
       301 . 1 1  36  36 VAL CA   C 13  66.760 0.30 . 1 . . . .  36 VAL CA   . 17226 1 
       302 . 1 1  36  36 VAL CB   C 13  33.263 0.30 . 1 . . . .  36 VAL CB   . 17226 1 
       303 . 1 1  36  36 VAL CG1  C 13  23.820 0.30 . 1 . . . .  36 VAL CG1  . 17226 1 
       304 . 1 1  36  36 VAL CG2  C 13  22.912 0.30 . 1 . . . .  36 VAL CG2  . 17226 1 
       305 . 1 1  36  36 VAL N    N 15 119.018 0.3  . 1 . . . .  36 VAL N    . 17226 1 
       306 . 1 1  37  37 LEU H    H  1   8.494 0.03 . 1 . . . .  37 LEU HN   . 17226 1 
       307 . 1 1  37  37 LEU HA   H  1   4.095 0.03 . 1 . . . .  37 LEU HA   . 17226 1 
       308 . 1 1  37  37 LEU HB2  H  1   2.202 0.03 . 2 . . . .  37 LEU HB1  . 17226 1 
       309 . 1 1  37  37 LEU HB3  H  1   1.713 0.03 . 2 . . . .  37 LEU HB2  . 17226 1 
       310 . 1 1  37  37 LEU C    C 13 178.525 0.30 . 1 . . . .  37 LEU C    . 17226 1 
       311 . 1 1  37  37 LEU CA   C 13  57.088 0.30 . 1 . . . .  37 LEU CA   . 17226 1 
       312 . 1 1  37  37 LEU CB   C 13  40.705 0.30 . 1 . . . .  37 LEU CB   . 17226 1 
       313 . 1 1  37  37 LEU N    N 15 114.550 0.3  . 1 . . . .  37 LEU N    . 17226 1 
       314 . 1 1  38  38 ALA H    H  1   7.280 0.03 . 1 . . . .  38 ALA HN   . 17226 1 
       315 . 1 1  38  38 ALA HA   H  1   4.428 0.03 . 1 . . . .  38 ALA HA   . 17226 1 
       316 . 1 1  38  38 ALA HB1  H  1   1.540 0.03 . 1 . . . .  38 ALA HB1  . 17226 1 
       317 . 1 1  38  38 ALA HB2  H  1   1.540 0.03 . 1 . . . .  38 ALA HB1  . 17226 1 
       318 . 1 1  38  38 ALA HB3  H  1   1.540 0.03 . 1 . . . .  38 ALA HB1  . 17226 1 
       319 . 1 1  38  38 ALA C    C 13 176.263 0.30 . 1 . . . .  38 ALA C    . 17226 1 
       320 . 1 1  38  38 ALA CA   C 13  52.044 0.30 . 1 . . . .  38 ALA CA   . 17226 1 
       321 . 1 1  38  38 ALA CB   C 13  19.015 0.30 . 1 . . . .  38 ALA CB   . 17226 1 
       322 . 1 1  38  38 ALA N    N 15 119.429 0.3  . 1 . . . .  38 ALA N    . 17226 1 
       323 . 1 1  39  39 ASP H    H  1   7.499 0.03 . 1 . . . .  39 ASP HN   . 17226 1 
       324 . 1 1  39  39 ASP HA   H  1   4.732 0.03 . 1 . . . .  39 ASP HA   . 17226 1 
       325 . 1 1  39  39 ASP HB2  H  1   3.521 0.03 . 2 . . . .  39 ASP HB1  . 17226 1 
       326 . 1 1  39  39 ASP HB3  H  1   2.598 0.03 . 2 . . . .  39 ASP HB2  . 17226 1 
       327 . 1 1  39  39 ASP C    C 13 177.302 0.30 . 1 . . . .  39 ASP C    . 17226 1 
       328 . 1 1  39  39 ASP CA   C 13  53.444 0.30 . 1 . . . .  39 ASP CA   . 17226 1 
       329 . 1 1  39  39 ASP CB   C 13  42.000 0.30 . 1 . . . .  39 ASP CB   . 17226 1 
       330 . 1 1  39  39 ASP N    N 15 121.640 0.3  . 1 . . . .  39 ASP N    . 17226 1 
       331 . 1 1  40  40 ASP H    H  1   9.049 0.03 . 1 . . . .  40 ASP HN   . 17226 1 
       332 . 1 1  40  40 ASP HA   H  1   4.491 0.03 . 1 . . . .  40 ASP HA   . 17226 1 
       333 . 1 1  40  40 ASP HB2  H  1   2.812 0.03 . 2 . . . .  40 ASP HB1  . 17226 1 
       334 . 1 1  40  40 ASP C    C 13 178.506 0.30 . 1 . . . .  40 ASP C    . 17226 1 
       335 . 1 1  40  40 ASP CA   C 13  56.723 0.30 . 1 . . . .  40 ASP CA   . 17226 1 
       336 . 1 1  40  40 ASP CB   C 13  40.414 0.30 . 1 . . . .  40 ASP CB   . 17226 1 
       337 . 1 1  40  40 ASP N    N 15 128.005 0.3  . 1 . . . .  40 ASP N    . 17226 1 
       338 . 1 1  41  41 GLN H    H  1   9.190 0.03 . 1 . . . .  41 GLN HN   . 17226 1 
       339 . 1 1  41  41 GLN HA   H  1   4.315 0.03 . 1 . . . .  41 GLN HA   . 17226 1 
       340 . 1 1  41  41 GLN HB2  H  1   2.110 0.03 . 2 . . . .  41 GLN HB1  . 17226 1 
       341 . 1 1  41  41 GLN C    C 13 176.655 0.30 . 1 . . . .  41 GLN C    . 17226 1 
       342 . 1 1  41  41 GLN CA   C 13  57.560 0.30 . 1 . . . .  41 GLN CA   . 17226 1 
       343 . 1 1  41  41 GLN CB   C 13  30.547 0.30 . 1 . . . .  41 GLN CB   . 17226 1 
       344 . 1 1  41  41 GLN N    N 15 117.696 0.3  . 1 . . . .  41 GLN N    . 17226 1 
       345 . 1 1  42  42 LEU H    H  1   7.920 0.03 . 1 . . . .  42 LEU HN   . 17226 1 
       346 . 1 1  42  42 LEU HA   H  1   4.730 0.03 . 1 . . . .  42 LEU HA   . 17226 1 
       347 . 1 1  42  42 LEU HB2  H  1   2.416 0.03 . 2 . . . .  42 LEU HB1  . 17226 1 
       348 . 1 1  42  42 LEU HB3  H  1   1.315 0.03 . 2 . . . .  42 LEU HB2  . 17226 1 
       349 . 1 1  42  42 LEU C    C 13 178.740 0.30 . 1 . . . .  42 LEU C    . 17226 1 
       350 . 1 1  42  42 LEU CA   C 13  54.417 0.30 . 1 . . . .  42 LEU CA   . 17226 1 
       351 . 1 1  42  42 LEU CB   C 13  45.811 0.30 . 1 . . . .  42 LEU CB   . 17226 1 
       352 . 1 1  42  42 LEU N    N 15 116.240 0.3  . 1 . . . .  42 LEU N    . 17226 1 
       353 . 1 1  43  43 SER H    H  1   8.558 0.03 . 1 . . . .  43 SER HN   . 17226 1 
       354 . 1 1  43  43 SER HA   H  1   4.063 0.03 . 1 . . . .  43 SER HA   . 17226 1 
       355 . 1 1  43  43 SER C    C 13 177.789 0.30 . 1 . . . .  43 SER C    . 17226 1 
       356 . 1 1  43  43 SER CA   C 13  62.955 0.30 . 1 . . . .  43 SER CA   . 17226 1 
       357 . 1 1  43  43 SER CB   C 13  63.810 0.30 . 1 . . . .  43 SER CB   . 17226 1 
       358 . 1 1  43  43 SER N    N 15 114.538 0.3  . 1 . . . .  43 SER N    . 17226 1 
       359 . 1 1  44  44 ALA H    H  1   8.689 0.03 . 1 . . . .  44 ALA HN   . 17226 1 
       360 . 1 1  44  44 ALA HA   H  1   4.100 0.03 . 1 . . . .  44 ALA HA   . 17226 1 
       361 . 1 1  44  44 ALA HB1  H  1   1.134 0.03 . 1 . . . .  44 ALA HB1  . 17226 1 
       362 . 1 1  44  44 ALA HB2  H  1   1.134 0.03 . 1 . . . .  44 ALA HB1  . 17226 1 
       363 . 1 1  44  44 ALA HB3  H  1   1.134 0.03 . 1 . . . .  44 ALA HB1  . 17226 1 
       364 . 1 1  44  44 ALA C    C 13 180.343 0.30 . 1 . . . .  44 ALA C    . 17226 1 
       365 . 1 1  44  44 ALA CA   C 13  54.766 0.30 . 1 . . . .  44 ALA CA   . 17226 1 
       366 . 1 1  44  44 ALA CB   C 13  17.956 0.30 . 1 . . . .  44 ALA CB   . 17226 1 
       367 . 1 1  44  44 ALA N    N 15 123.278 0.3  . 1 . . . .  44 ALA N    . 17226 1 
       368 . 1 1  45  45 PHE H    H  1   7.587 0.03 . 1 . . . .  45 PHE HN   . 17226 1 
       369 . 1 1  45  45 PHE HA   H  1   3.559 0.03 . 1 . . . .  45 PHE HA   . 17226 1 
       370 . 1 1  45  45 PHE HB2  H  1   2.160 0.03 . 2 . . . .  45 PHE HB1  . 17226 1 
       371 . 1 1  45  45 PHE HB3  H  1   1.479 0.03 . 2 . . . .  45 PHE HB2  . 17226 1 
       372 . 1 1  45  45 PHE C    C 13 176.310 0.30 . 1 . . . .  45 PHE C    . 17226 1 
       373 . 1 1  45  45 PHE CA   C 13  61.251 0.30 . 1 . . . .  45 PHE CA   . 17226 1 
       374 . 1 1  45  45 PHE CB   C 13  37.568 0.30 . 1 . . . .  45 PHE CB   . 17226 1 
       375 . 1 1  45  45 PHE N    N 15 113.687 0.3  . 1 . . . .  45 PHE N    . 17226 1 
       376 . 1 1  46  46 PHE H    H  1   7.382 0.03 . 1 . . . .  46 PHE HN   . 17226 1 
       377 . 1 1  46  46 PHE HA   H  1   4.567 0.03 . 1 . . . .  46 PHE HA   . 17226 1 
       378 . 1 1  46  46 PHE HB2  H  1   3.938 0.03 . 2 . . . .  46 PHE HB1  . 17226 1 
       379 . 1 1  46  46 PHE HB3  H  1   2.812 0.03 . 2 . . . .  46 PHE HB2  . 17226 1 
       380 . 1 1  46  46 PHE C    C 13 176.865 0.30 . 1 . . . .  46 PHE C    . 17226 1 
       381 . 1 1  46  46 PHE CA   C 13  57.846 0.30 . 1 . . . .  46 PHE CA   . 17226 1 
       382 . 1 1  46  46 PHE CB   C 13  40.246 0.30 . 1 . . . .  46 PHE CB   . 17226 1 
       383 . 1 1  46  46 PHE N    N 15 114.515 0.3  . 1 . . . .  46 PHE N    . 17226 1 
       384 . 1 1  47  47 SER H    H  1   7.203 0.03 . 1 . . . .  47 SER HN   . 17226 1 
       385 . 1 1  47  47 SER HA   H  1   4.237 0.03 . 1 . . . .  47 SER HA   . 17226 1 
       386 . 1 1  47  47 SER HB2  H  1   3.898 0.03 . 2 . . . .  47 SER HB1  . 17226 1 
       387 . 1 1  47  47 SER C    C 13 175.356 0.30 . 1 . . . .  47 SER C    . 17226 1 
       388 . 1 1  47  47 SER CA   C 13  61.035 0.30 . 1 . . . .  47 SER CA   . 17226 1 
       389 . 1 1  47  47 SER CB   C 13  62.972 0.30 . 1 . . . .  47 SER CB   . 17226 1 
       390 . 1 1  47  47 SER N    N 15 116.578 0.3  . 1 . . . .  47 SER N    . 17226 1 
       391 . 1 1  48  48 GLY H    H  1   8.700 0.03 . 1 . . . .  48 GLY HN   . 17226 1 
       392 . 1 1  48  48 GLY HA2  H  1   4.224 0.03 . 2 . . . .  48 GLY HA1  . 17226 1 
       393 . 1 1  48  48 GLY HA3  H  1   3.691 0.03 . 2 . . . .  48 GLY HA2  . 17226 1 
       394 . 1 1  48  48 GLY C    C 13 174.353 0.30 . 1 . . . .  48 GLY C    . 17226 1 
       395 . 1 1  48  48 GLY CA   C 13  44.840 0.30 . 1 . . . .  48 GLY CA   . 17226 1 
       396 . 1 1  48  48 GLY N    N 15 112.319 0.3  . 1 . . . .  48 GLY N    . 17226 1 
       397 . 1 1  49  49 THR H    H  1   7.534 0.03 . 1 . . . .  49 THR HN   . 17226 1 
       398 . 1 1  49  49 THR HB   H  1   4.160 0.03 . 1 . . . .  49 THR HB   . 17226 1 
       399 . 1 1  49  49 THR C    C 13 173.720 0.30 . 1 . . . .  49 THR C    . 17226 1 
       400 . 1 1  49  49 THR CA   C 13  63.776 0.30 . 1 . . . .  49 THR CA   . 17226 1 
       401 . 1 1  49  49 THR CB   C 13  70.520 0.30 . 1 . . . .  49 THR CB   . 17226 1 
       402 . 1 1  49  49 THR N    N 15 120.436 0.3  . 1 . . . .  49 THR N    . 17226 1 
       403 . 1 1  50  50 ASN H    H  1   8.530 0.03 . 1 . . . .  50 ASN HN   . 17226 1 
       404 . 1 1  50  50 ASN HA   H  1   4.673 0.03 . 1 . . . .  50 ASN HA   . 17226 1 
       405 . 1 1  50  50 ASN HB2  H  1   2.846 0.03 . 2 . . . .  50 ASN HB1  . 17226 1 
       406 . 1 1  50  50 ASN C    C 13 175.080 0.30 . 1 . . . .  50 ASN C    . 17226 1 
       407 . 1 1  50  50 ASN CA   C 13  52.220 0.30 . 1 . . . .  50 ASN CA   . 17226 1 
       408 . 1 1  50  50 ASN CB   C 13  36.920 0.30 . 1 . . . .  50 ASN CB   . 17226 1 
       409 . 1 1  50  50 ASN N    N 15 123.760 0.3  . 1 . . . .  50 ASN N    . 17226 1 
       410 . 1 1  51  51 MET H    H  1   8.820 0.03 . 1 . . . .  51 MET HN   . 17226 1 
       411 . 1 1  51  51 MET HA   H  1   4.724 0.03 . 1 . . . .  51 MET HA   . 17226 1 
       412 . 1 1  51  51 MET HB2  H  1   2.252 0.03 . 2 . . . .  51 MET HB1  . 17226 1 
       413 . 1 1  51  51 MET C    C 13 178.870 0.30 . 1 . . . .  51 MET C    . 17226 1 
       414 . 1 1  51  51 MET CA   C 13  55.780 0.30 . 1 . . . .  51 MET CA   . 17226 1 
       415 . 1 1  51  51 MET CB   C 13  29.110 0.30 . 1 . . . .  51 MET CB   . 17226 1 
       416 . 1 1  51  51 MET N    N 15 127.510 0.3  . 1 . . . .  51 MET N    . 17226 1 
       417 . 1 1  52  52 SER H    H  1   8.480 0.03 . 1 . . . .  52 SER HN   . 17226 1 
       418 . 1 1  52  52 SER HA   H  1   4.320 0.03 . 1 . . . .  52 SER HA   . 17226 1 
       419 . 1 1  52  52 SER C    C 13 177.270 0.30 . 1 . . . .  52 SER C    . 17226 1 
       420 . 1 1  52  52 SER CA   C 13  62.250 0.30 . 1 . . . .  52 SER CA   . 17226 1 
       421 . 1 1  52  52 SER N    N 15 116.300 0.3  . 1 . . . .  52 SER N    . 17226 1 
       422 . 1 1  53  53 ARG H    H  1   7.420 0.03 . 1 . . . .  53 ARG HN   . 17226 1 
       423 . 1 1  53  53 ARG HA   H  1   3.930 0.03 . 1 . . . .  53 ARG HA   . 17226 1 
       424 . 1 1  53  53 ARG HB2  H  1   1.570 0.03 . 2 . . . .  53 ARG HB1  . 17226 1 
       425 . 1 1  53  53 ARG HD2  H  1   2.995 0.03 . 2 . . . .  53 ARG HD1  . 17226 1 
       426 . 1 1  53  53 ARG CA   C 13  58.270 0.30 . 1 . . . .  53 ARG CA   . 17226 1 
       427 . 1 1  53  53 ARG CB   C 13  29.720 0.30 . 1 . . . .  53 ARG CB   . 17226 1 
       428 . 1 1  53  53 ARG CD   C 13  42.768 0.30 . 1 . . . .  53 ARG CD   . 17226 1 
       429 . 1 1  53  53 ARG CG   C 13  26.795 0.30 . 1 . . . .  53 ARG CG   . 17226 1 
       430 . 1 1  53  53 ARG N    N 15 122.930 0.3  . 1 . . . .  53 ARG N    . 17226 1 
       431 . 1 1  54  54 LEU H    H  1   7.850 0.03 . 1 . . . .  54 LEU HN   . 17226 1 
       432 . 1 1  54  54 LEU HA   H  1   3.494 0.03 . 1 . . . .  54 LEU HA   . 17226 1 
       433 . 1 1  54  54 LEU HB2  H  1   2.123 0.03 . 2 . . . .  54 LEU HB1  . 17226 1 
       434 . 1 1  54  54 LEU C    C 13 178.040 0.30 . 1 . . . .  54 LEU C    . 17226 1 
       435 . 1 1  54  54 LEU CA   C 13  58.500 0.30 . 1 . . . .  54 LEU CA   . 17226 1 
       436 . 1 1  54  54 LEU CB   C 13  42.070 0.30 . 1 . . . .  54 LEU CB   . 17226 1 
       437 . 1 1  54  54 LEU N    N 15 121.440 0.3  . 1 . . . .  54 LEU N    . 17226 1 
       438 . 1 1  55  55 LYS H    H  1   8.900 0.03 . 1 . . . .  55 LYS HN   . 17226 1 
       439 . 1 1  55  55 LYS HA   H  1   4.667 0.03 . 1 . . . .  55 LYS HA   . 17226 1 
       440 . 1 1  55  55 LYS HB2  H  1   2.310 0.03 . 2 . . . .  55 LYS HB1  . 17226 1 
       441 . 1 1  55  55 LYS C    C 13 178.950 0.30 . 1 . . . .  55 LYS C    . 17226 1 
       442 . 1 1  55  55 LYS CA   C 13  61.800 0.30 . 1 . . . .  55 LYS CA   . 17226 1 
       443 . 1 1  55  55 LYS CB   C 13  32.330 0.30 . 1 . . . .  55 LYS CB   . 17226 1 
       444 . 1 1  55  55 LYS N    N 15 117.210 0.3  . 1 . . . .  55 LYS N    . 17226 1 
       445 . 1 1  56  56 GLY H    H  1   7.550 0.03 . 1 . . . .  56 GLY HN   . 17226 1 
       446 . 1 1  56  56 GLY HA2  H  1   4.010 0.03 . 2 . . . .  56 GLY HA1  . 17226 1 
       447 . 1 1  56  56 GLY C    C 13 177.390 0.30 . 1 . . . .  56 GLY C    . 17226 1 
       448 . 1 1  56  56 GLY CA   C 13  47.490 0.30 . 1 . . . .  56 GLY CA   . 17226 1 
       449 . 1 1  56  56 GLY N    N 15 103.060 0.3  . 1 . . . .  56 GLY N    . 17226 1 
       450 . 1 1  57  57 LYS H    H  1   7.810 0.03 . 1 . . . .  57 LYS HN   . 17226 1 
       451 . 1 1  57  57 LYS HA   H  1   4.006 0.03 . 1 . . . .  57 LYS HA   . 17226 1 
       452 . 1 1  57  57 LYS HB2  H  1   1.518 0.03 . 2 . . . .  57 LYS HB1  . 17226 1 
       453 . 1 1  57  57 LYS HB3  H  1   1.099 0.03 . 2 . . . .  57 LYS HB2  . 17226 1 
       454 . 1 1  57  57 LYS C    C 13 177.590 0.30 . 1 . . . .  57 LYS C    . 17226 1 
       455 . 1 1  57  57 LYS CA   C 13  56.900 0.30 . 1 . . . .  57 LYS CA   . 17226 1 
       456 . 1 1  57  57 LYS CB   C 13  31.760 0.30 . 1 . . . .  57 LYS CB   . 17226 1 
       457 . 1 1  57  57 LYS CD   C 13  27.240 0.30 . 1 . . . .  57 LYS CD   . 17226 1 
       458 . 1 1  57  57 LYS CG   C 13  23.500 0.30 . 1 . . . .  57 LYS CG   . 17226 1 
       459 . 1 1  57  57 LYS N    N 15 121.270 0.3  . 1 . . . .  57 LYS N    . 17226 1 
       460 . 1 1  58  58 GLN H    H  1   9.284 0.03 . 1 . . . .  58 GLN HN   . 17226 1 
       461 . 1 1  58  58 GLN HA   H  1   4.653 0.03 . 1 . . . .  58 GLN HA   . 17226 1 
       462 . 1 1  58  58 GLN HB2  H  1   3.547 0.03 . 2 . . . .  58 GLN HB1  . 17226 1 
       463 . 1 1  58  58 GLN HB3  H  1   3.273 0.03 . 2 . . . .  58 GLN HB2  . 17226 1 
       464 . 1 1  58  58 GLN HG2  H  1   3.891 0.03 . 2 . . . .  58 GLN HG1  . 17226 1 
       465 . 1 1  58  58 GLN HG3  H  1   2.887 0.03 . 2 . . . .  58 GLN HG2  . 17226 1 
       466 . 1 1  58  58 GLN C    C 13 179.106 0.30 . 1 . . . .  58 GLN C    . 17226 1 
       467 . 1 1  58  58 GLN CA   C 13  57.330 0.30 . 1 . . . .  58 GLN CA   . 17226 1 
       468 . 1 1  58  58 GLN CB   C 13  31.899 0.30 . 1 . . . .  58 GLN CB   . 17226 1 
       469 . 1 1  58  58 GLN CG   C 13  34.590 0.30 . 1 . . . .  58 GLN CG   . 17226 1 
       470 . 1 1  58  58 GLN N    N 15 122.376 0.3  . 1 . . . .  58 GLN N    . 17226 1 
       471 . 1 1  59  59 VAL H    H  1   8.826 0.03 . 1 . . . .  59 VAL HN   . 17226 1 
       472 . 1 1  59  59 VAL HA   H  1   3.755 0.03 . 1 . . . .  59 VAL HA   . 17226 1 
       473 . 1 1  59  59 VAL HB   H  1   2.444 0.03 . 1 . . . .  59 VAL HB   . 17226 1 
       474 . 1 1  59  59 VAL HG11 H  1   1.416 0.03 . 2 . . . .  59 VAL HG11 . 17226 1 
       475 . 1 1  59  59 VAL HG12 H  1   1.416 0.03 . 2 . . . .  59 VAL HG11 . 17226 1 
       476 . 1 1  59  59 VAL HG13 H  1   1.416 0.03 . 2 . . . .  59 VAL HG11 . 17226 1 
       477 . 1 1  59  59 VAL HG21 H  1   0.972 0.03 . 2 . . . .  59 VAL HG21 . 17226 1 
       478 . 1 1  59  59 VAL HG22 H  1   0.972 0.03 . 2 . . . .  59 VAL HG21 . 17226 1 
       479 . 1 1  59  59 VAL HG23 H  1   0.972 0.03 . 2 . . . .  59 VAL HG21 . 17226 1 
       480 . 1 1  59  59 VAL C    C 13 177.526 0.30 . 1 . . . .  59 VAL C    . 17226 1 
       481 . 1 1  59  59 VAL CA   C 13  67.340 0.30 . 1 . . . .  59 VAL CA   . 17226 1 
       482 . 1 1  59  59 VAL CB   C 13  31.593 0.30 . 1 . . . .  59 VAL CB   . 17226 1 
       483 . 1 1  59  59 VAL CG1  C 13  24.362 0.30 . 1 . . . .  59 VAL CG1  . 17226 1 
       484 . 1 1  59  59 VAL CG2  C 13  21.388 0.30 . 1 . . . .  59 VAL CG2  . 17226 1 
       485 . 1 1  59  59 VAL N    N 15 120.210 0.3  . 1 . . . .  59 VAL N    . 17226 1 
       486 . 1 1  60  60 GLU H    H  1   7.504 0.03 . 1 . . . .  60 GLU HN   . 17226 1 
       487 . 1 1  60  60 GLU HA   H  1   4.001 0.03 . 1 . . . .  60 GLU HA   . 17226 1 
       488 . 1 1  60  60 GLU HB2  H  1   2.360 0.03 . 2 . . . .  60 GLU HB1  . 17226 1 
       489 . 1 1  60  60 GLU HG2  H  1   2.609 0.03 . 2 . . . .  60 GLU HG1  . 17226 1 
       490 . 1 1  60  60 GLU HG3  H  1   2.324 0.03 . 2 . . . .  60 GLU HG2  . 17226 1 
       491 . 1 1  60  60 GLU C    C 13 179.657 0.30 . 1 . . . .  60 GLU C    . 17226 1 
       492 . 1 1  60  60 GLU CA   C 13  59.337 0.30 . 1 . . . .  60 GLU CA   . 17226 1 
       493 . 1 1  60  60 GLU CB   C 13  30.899 0.30 . 1 . . . .  60 GLU CB   . 17226 1 
       494 . 1 1  60  60 GLU CG   C 13  36.760 0.30 . 1 . . . .  60 GLU CG   . 17226 1 
       495 . 1 1  60  60 GLU N    N 15 117.090 0.3  . 1 . . . .  60 GLU N    . 17226 1 
       496 . 1 1  61  61 PHE H    H  1   8.997 0.03 . 1 . . . .  61 PHE HN   . 17226 1 
       497 . 1 1  61  61 PHE HA   H  1   3.140 0.03 . 1 . . . .  61 PHE HA   . 17226 1 
       498 . 1 1  61  61 PHE HB2  H  1   2.882 0.03 . 2 . . . .  61 PHE HB1  . 17226 1 
       499 . 1 1  61  61 PHE HB3  H  1   2.064 0.03 . 2 . . . .  61 PHE HB2  . 17226 1 
       500 . 1 1  61  61 PHE C    C 13 178.066 0.30 . 1 . . . .  61 PHE C    . 17226 1 
       501 . 1 1  61  61 PHE CA   C 13  62.693 0.30 . 1 . . . .  61 PHE CA   . 17226 1 
       502 . 1 1  61  61 PHE CB   C 13  38.200 0.30 . 1 . . . .  61 PHE CB   . 17226 1 
       503 . 1 1  61  61 PHE N    N 15 121.370 0.3  . 1 . . . .  61 PHE N    . 17226 1 
       504 . 1 1  62  62 PHE H    H  1   9.398 0.03 . 1 . . . .  62 PHE HN   . 17226 1 
       505 . 1 1  62  62 PHE HA   H  1   3.829 0.03 . 1 . . . .  62 PHE HA   . 17226 1 
       506 . 1 1  62  62 PHE HB2  H  1   3.321 0.03 . 2 . . . .  62 PHE HB1  . 17226 1 
       507 . 1 1  62  62 PHE HB3  H  1   2.759 0.03 . 2 . . . .  62 PHE HB2  . 17226 1 
       508 . 1 1  62  62 PHE C    C 13 177.780 0.30 . 1 . . . .  62 PHE C    . 17226 1 
       509 . 1 1  62  62 PHE CA   C 13  61.475 0.30 . 1 . . . .  62 PHE CA   . 17226 1 
       510 . 1 1  62  62 PHE CB   C 13  39.047 0.30 . 1 . . . .  62 PHE CB   . 17226 1 
       511 . 1 1  62  62 PHE N    N 15 119.641 0.3  . 1 . . . .  62 PHE N    . 17226 1 
       512 . 1 1  63  63 ALA H    H  1   8.937 0.03 . 1 . . . .  63 ALA HN   . 17226 1 
       513 . 1 1  63  63 ALA HA   H  1   3.940 0.03 . 1 . . . .  63 ALA HA   . 17226 1 
       514 . 1 1  63  63 ALA HB1  H  1   1.545 0.03 . 1 . . . .  63 ALA HB1  . 17226 1 
       515 . 1 1  63  63 ALA HB2  H  1   1.545 0.03 . 1 . . . .  63 ALA HB1  . 17226 1 
       516 . 1 1  63  63 ALA HB3  H  1   1.545 0.03 . 1 . . . .  63 ALA HB1  . 17226 1 
       517 . 1 1  63  63 ALA C    C 13 179.070 0.30 . 1 . . . .  63 ALA C    . 17226 1 
       518 . 1 1  63  63 ALA CA   C 13  56.444 0.30 . 1 . . . .  63 ALA CA   . 17226 1 
       519 . 1 1  63  63 ALA CB   C 13  18.423 0.30 . 1 . . . .  63 ALA CB   . 17226 1 
       520 . 1 1  63  63 ALA N    N 15 119.523 0.3  . 1 . . . .  63 ALA N    . 17226 1 
       521 . 1 1  64  64 ALA H    H  1   7.417 0.03 . 1 . . . .  64 ALA HN   . 17226 1 
       522 . 1 1  64  64 ALA HA   H  1   3.842 0.03 . 1 . . . .  64 ALA HA   . 17226 1 
       523 . 1 1  64  64 ALA HB1  H  1   1.340 0.03 . 1 . . . .  64 ALA HB1  . 17226 1 
       524 . 1 1  64  64 ALA HB2  H  1   1.340 0.03 . 1 . . . .  64 ALA HB1  . 17226 1 
       525 . 1 1  64  64 ALA HB3  H  1   1.340 0.03 . 1 . . . .  64 ALA HB1  . 17226 1 
       526 . 1 1  64  64 ALA C    C 13 181.560 0.30 . 1 . . . .  64 ALA C    . 17226 1 
       527 . 1 1  64  64 ALA CA   C 13  54.776 0.30 . 1 . . . .  64 ALA CA   . 17226 1 
       528 . 1 1  64  64 ALA CB   C 13  18.711 0.30 . 1 . . . .  64 ALA CB   . 17226 1 
       529 . 1 1  64  64 ALA N    N 15 118.303 0.3  . 1 . . . .  64 ALA N    . 17226 1 
       530 . 1 1  65  65 ALA H    H  1   8.360 0.03 . 1 . . . .  65 ALA HN   . 17226 1 
       531 . 1 1  65  65 ALA HA   H  1   3.754 0.03 . 1 . . . .  65 ALA HA   . 17226 1 
       532 . 1 1  65  65 ALA HB1  H  1   0.792 0.03 . 1 . . . .  65 ALA HB1  . 17226 1 
       533 . 1 1  65  65 ALA HB2  H  1   0.792 0.03 . 1 . . . .  65 ALA HB1  . 17226 1 
       534 . 1 1  65  65 ALA HB3  H  1   0.792 0.03 . 1 . . . .  65 ALA HB1  . 17226 1 
       535 . 1 1  65  65 ALA C    C 13 179.032 0.30 . 1 . . . .  65 ALA C    . 17226 1 
       536 . 1 1  65  65 ALA CA   C 13  54.250 0.30 . 1 . . . .  65 ALA CA   . 17226 1 
       537 . 1 1  65  65 ALA CB   C 13  16.881 0.30 . 1 . . . .  65 ALA CB   . 17226 1 
       538 . 1 1  65  65 ALA N    N 15 121.847 0.3  . 1 . . . .  65 ALA N    . 17226 1 
       539 . 1 1  66  66 LEU H    H  1   7.699 0.03 . 1 . . . .  66 LEU HN   . 17226 1 
       540 . 1 1  66  66 LEU HA   H  1   4.355 0.03 . 1 . . . .  66 LEU HA   . 17226 1 
       541 . 1 1  66  66 LEU HB2  H  1   1.775 0.03 . 2 . . . .  66 LEU HB1  . 17226 1 
       542 . 1 1  66  66 LEU HB3  H  1   1.701 0.03 . 2 . . . .  66 LEU HB2  . 17226 1 
       543 . 1 1  66  66 LEU C    C 13 175.673 0.30 . 1 . . . .  66 LEU C    . 17226 1 
       544 . 1 1  66  66 LEU CA   C 13  54.036 0.30 . 1 . . . .  66 LEU CA   . 17226 1 
       545 . 1 1  66  66 LEU CB   C 13  39.825 0.30 . 1 . . . .  66 LEU CB   . 17226 1 
       546 . 1 1  66  66 LEU N    N 15 113.329 0.3  . 1 . . . .  66 LEU N    . 17226 1 
       547 . 1 1  67  67 GLY H    H  1   7.552 0.03 . 1 . . . .  67 GLY HN   . 17226 1 
       548 . 1 1  67  67 GLY HA2  H  1   4.384 0.03 . 2 . . . .  67 GLY HA1  . 17226 1 
       549 . 1 1  67  67 GLY HA3  H  1   3.782 0.03 . 2 . . . .  67 GLY HA2  . 17226 1 
       550 . 1 1  67  67 GLY C    C 13 175.260 0.30 . 1 . . . .  67 GLY C    . 17226 1 
       551 . 1 1  67  67 GLY CA   C 13  45.579 0.30 . 1 . . . .  67 GLY CA   . 17226 1 
       552 . 1 1  67  67 GLY N    N 15 106.148 0.3  . 1 . . . .  67 GLY N    . 17226 1 
       553 . 1 1  68  68 GLY H    H  1   8.628 0.03 . 1 . . . .  68 GLY HN   . 17226 1 
       554 . 1 1  68  68 GLY CA   C 13  43.600 0.30 . 1 . . . .  68 GLY CA   . 17226 1 
       555 . 1 1  68  68 GLY N    N 15 110.440 0.3  . 1 . . . .  68 GLY N    . 17226 1 
       556 . 1 1  69  69 PRO HA   H  1   4.287 0.03 . 1 . . . .  69 PRO HA   . 17226 1 
       557 . 1 1  69  69 PRO C    C 13 177.070 0.30 . 1 . . . .  69 PRO C    . 17226 1 
       558 . 1 1  69  69 PRO CA   C 13  64.110 0.30 . 1 . . . .  69 PRO CA   . 17226 1 
       559 . 1 1  69  69 PRO CB   C 13  32.480 0.30 . 1 . . . .  69 PRO CB   . 17226 1 
       560 . 1 1  70  70 GLU H    H  1   8.567 0.03 . 1 . . . .  70 GLU HN   . 17226 1 
       561 . 1 1  70  70 GLU HB2  H  1   1.950 0.03 . 2 . . . .  70 GLU HB1  . 17226 1 
       562 . 1 1  70  70 GLU HB3  H  1   1.790 0.03 . 2 . . . .  70 GLU HB2  . 17226 1 
       563 . 1 1  70  70 GLU CA   C 13  53.390 0.30 . 1 . . . .  70 GLU CA   . 17226 1 
       564 . 1 1  70  70 GLU CB   C 13  29.950 0.30 . 1 . . . .  70 GLU CB   . 17226 1 
       565 . 1 1  70  70 GLU N    N 15 121.675 0.3  . 1 . . . .  70 GLU N    . 17226 1 
       566 . 1 1  71  71 PRO HA   H  1   4.327 0.03 . 1 . . . .  71 PRO HA   . 17226 1 
       567 . 1 1  71  71 PRO C    C 13 175.710 0.30 . 1 . . . .  71 PRO C    . 17226 1 
       568 . 1 1  71  71 PRO CA   C 13  62.050 0.30 . 1 . . . .  71 PRO CA   . 17226 1 
       569 . 1 1  71  71 PRO CB   C 13  32.260 0.30 . 1 . . . .  71 PRO CB   . 17226 1 
       570 . 1 1  71  71 PRO CG   C 13  26.826 0.30 . 1 . . . .  71 PRO CG   . 17226 1 
       571 . 1 1  72  72 TYR H    H  1   8.445 0.03 . 1 . . . .  72 TYR HN   . 17226 1 
       572 . 1 1  72  72 TYR HA   H  1   4.577 0.03 . 1 . . . .  72 TYR HA   . 17226 1 
       573 . 1 1  72  72 TYR HB2  H  1   2.600 0.03 . 2 . . . .  72 TYR HB1  . 17226 1 
       574 . 1 1  72  72 TYR C    C 13 176.700 0.30 . 1 . . . .  72 TYR C    . 17226 1 
       575 . 1 1  72  72 TYR CA   C 13  57.220 0.30 . 1 . . . .  72 TYR CA   . 17226 1 
       576 . 1 1  72  72 TYR CB   C 13  38.730 0.30 . 1 . . . .  72 TYR CB   . 17226 1 
       577 . 1 1  72  72 TYR N    N 15 120.196 0.3  . 1 . . . .  72 TYR N    . 17226 1 
       578 . 1 1  73  73 THR H    H  1   8.460 0.03 . 1 . . . .  73 THR HN   . 17226 1 
       579 . 1 1  73  73 THR HB   H  1   4.170 0.03 . 1 . . . .  73 THR HB   . 17226 1 
       580 . 1 1  73  73 THR CA   C 13  61.080 0.30 . 1 . . . .  73 THR CA   . 17226 1 
       581 . 1 1  73  73 THR CB   C 13  69.320 0.30 . 1 . . . .  73 THR CB   . 17226 1 
       582 . 1 1  73  73 THR N    N 15 119.720 0.3  . 1 . . . .  73 THR N    . 17226 1 
       583 . 1 1  74  74 GLY HA2  H  1   3.701 0.03 . 2 . . . .  74 GLY HA1  . 17226 1 
       584 . 1 1  74  74 GLY HA3  H  1   2.988 0.03 . 2 . . . .  74 GLY HA2  . 17226 1 
       585 . 1 1  74  74 GLY C    C 13 171.243 0.30 . 1 . . . .  74 GLY C    . 17226 1 
       586 . 1 1  74  74 GLY CA   C 13  43.919 0.30 . 1 . . . .  74 GLY CA   . 17226 1 
       587 . 1 1  75  75 ALA H    H  1   8.510 0.03 . 1 . . . .  75 ALA HN   . 17226 1 
       588 . 1 1  75  75 ALA HA   H  1   4.330 0.03 . 1 . . . .  75 ALA HA   . 17226 1 
       589 . 1 1  75  75 ALA HB1  H  1   0.876 0.03 . 1 . . . .  75 ALA HB1  . 17226 1 
       590 . 1 1  75  75 ALA HB2  H  1   0.876 0.03 . 1 . . . .  75 ALA HB1  . 17226 1 
       591 . 1 1  75  75 ALA HB3  H  1   0.876 0.03 . 1 . . . .  75 ALA HB1  . 17226 1 
       592 . 1 1  75  75 ALA CA   C 13  50.175 0.30 . 1 . . . .  75 ALA CA   . 17226 1 
       593 . 1 1  75  75 ALA CB   C 13  17.987 0.30 . 1 . . . .  75 ALA CB   . 17226 1 
       594 . 1 1  75  75 ALA N    N 15 123.104 0.3  . 1 . . . .  75 ALA N    . 17226 1 
       595 . 1 1  76  76 PRO HA   H  1   4.776 0.03 . 1 . . . .  76 PRO HA   . 17226 1 
       596 . 1 1  76  76 PRO HB2  H  1   2.831 0.03 . 2 . . . .  76 PRO HB1  . 17226 1 
       597 . 1 1  76  76 PRO HB3  H  1   2.390 0.03 . 2 . . . .  76 PRO HB2  . 17226 1 
       598 . 1 1  76  76 PRO C    C 13 177.810 0.30 . 1 . . . .  76 PRO C    . 17226 1 
       599 . 1 1  76  76 PRO CA   C 13  62.760 0.30 . 1 . . . .  76 PRO CA   . 17226 1 
       600 . 1 1  76  76 PRO CB   C 13  32.730 0.30 . 1 . . . .  76 PRO CB   . 17226 1 
       601 . 1 1  76  76 PRO CG   C 13  28.200 0.30 . 1 . . . .  76 PRO CG   . 17226 1 
       602 . 1 1  77  77 MET H    H  1   9.506 0.03 . 1 . . . .  77 MET HN   . 17226 1 
       603 . 1 1  77  77 MET HA   H  1   6.452 0.03 . 1 . . . .  77 MET HA   . 17226 1 
       604 . 1 1  77  77 MET HB2  H  1   3.698 0.03 . 2 . . . .  77 MET HB1  . 17226 1 
       605 . 1 1  77  77 MET HB3  H  1   3.395 0.03 . 2 . . . .  77 MET HB2  . 17226 1 
       606 . 1 1  77  77 MET C    C 13 182.800 0.30 . 1 . . . .  77 MET C    . 17226 1 
       607 . 1 1  77  77 MET CA   C 13  59.000 0.30 . 1 . . . .  77 MET CA   . 17226 1 
       608 . 1 1  77  77 MET CB   C 13  37.940 0.30 . 1 . . . .  77 MET CB   . 17226 1 
       609 . 1 1  77  77 MET CG   C 13  33.500 0.30 . 1 . . . .  77 MET CG   . 17226 1 
       610 . 1 1  77  77 MET N    N 15 120.018 0.3  . 1 . . . .  77 MET N    . 17226 1 
       611 . 1 1  78  78 LYS H    H  1  10.473 0.03 . 1 . . . .  78 LYS HN   . 17226 1 
       612 . 1 1  78  78 LYS HA   H  1   6.141 0.03 . 1 . . . .  78 LYS HA   . 17226 1 
       613 . 1 1  78  78 LYS HB2  H  1   2.628 0.03 . 2 . . . .  78 LYS HB1  . 17226 1 
       614 . 1 1  78  78 LYS C    C 13 178.934 0.30 . 1 . . . .  78 LYS C    . 17226 1 
       615 . 1 1  78  78 LYS CA   C 13  60.470 0.30 . 1 . . . .  78 LYS CA   . 17226 1 
       616 . 1 1  78  78 LYS CB   C 13  33.520 0.30 . 1 . . . .  78 LYS CB   . 17226 1 
       617 . 1 1  78  78 LYS CD   C 13  30.140 0.30 . 1 . . . .  78 LYS CD   . 17226 1 
       618 . 1 1  78  78 LYS CE   C 13  42.637 0.30 . 1 . . . .  78 LYS CE   . 17226 1 
       619 . 1 1  78  78 LYS CG   C 13  25.541 0.30 . 1 . . . .  78 LYS CG   . 17226 1 
       620 . 1 1  78  78 LYS N    N 15 122.151 0.3  . 1 . . . .  78 LYS N    . 17226 1 
       621 . 1 1  79  79 GLN H    H  1   7.920 0.03 . 1 . . . .  79 GLN HN   . 17226 1 
       622 . 1 1  79  79 GLN HA   H  1   4.746 0.03 . 1 . . . .  79 GLN HA   . 17226 1 
       623 . 1 1  79  79 GLN HB2  H  1   2.580 0.03 . 2 . . . .  79 GLN HB1  . 17226 1 
       624 . 1 1  79  79 GLN HB3  H  1   2.440 0.03 . 2 . . . .  79 GLN HB2  . 17226 1 
       625 . 1 1  79  79 GLN HG2  H  1   2.715 0.03 . 2 . . . .  79 GLN HG1  . 17226 1 
       626 . 1 1  79  79 GLN HG3  H  1   2.628 0.03 . 2 . . . .  79 GLN HG2  . 17226 1 
       627 . 1 1  79  79 GLN C    C 13 179.540 0.30 . 1 . . . .  79 GLN C    . 17226 1 
       628 . 1 1  79  79 GLN CA   C 13  59.750 0.30 . 1 . . . .  79 GLN CA   . 17226 1 
       629 . 1 1  79  79 GLN CB   C 13  29.820 0.30 . 1 . . . .  79 GLN CB   . 17226 1 
       630 . 1 1  79  79 GLN CG   C 13  34.268 0.30 . 1 . . . .  79 GLN CG   . 17226 1 
       631 . 1 1  79  79 GLN N    N 15 117.970 0.3  . 1 . . . .  79 GLN N    . 17226 1 
       632 . 1 1  80  80 VAL H    H  1   9.000 0.03 . 1 . . . .  80 VAL HN   . 17226 1 
       633 . 1 1  80  80 VAL HA   H  1   4.386 0.03 . 1 . . . .  80 VAL HA   . 17226 1 
       634 . 1 1  80  80 VAL HB   H  1   2.331 0.03 . 1 . . . .  80 VAL HB   . 17226 1 
       635 . 1 1  80  80 VAL HG11 H  1  -0.150 0.03 . 2 . . . .  80 VAL HG11 . 17226 1 
       636 . 1 1  80  80 VAL HG12 H  1  -0.150 0.03 . 2 . . . .  80 VAL HG11 . 17226 1 
       637 . 1 1  80  80 VAL HG13 H  1  -0.150 0.03 . 2 . . . .  80 VAL HG11 . 17226 1 
       638 . 1 1  80  80 VAL HG21 H  1   0.409 0.03 . 2 . . . .  80 VAL HG21 . 17226 1 
       639 . 1 1  80  80 VAL HG22 H  1   0.409 0.03 . 2 . . . .  80 VAL HG21 . 17226 1 
       640 . 1 1  80  80 VAL HG23 H  1   0.409 0.03 . 2 . . . .  80 VAL HG21 . 17226 1 
       641 . 1 1  80  80 VAL C    C 13 177.880 0.30 . 1 . . . .  80 VAL C    . 17226 1 
       642 . 1 1  80  80 VAL CA   C 13  65.100 0.30 . 1 . . . .  80 VAL CA   . 17226 1 
       643 . 1 1  80  80 VAL CB   C 13  32.440 0.30 . 1 . . . .  80 VAL CB   . 17226 1 
       644 . 1 1  80  80 VAL CG1  C 13  22.100 0.30 . 1 . . . .  80 VAL CG1  . 17226 1 
       645 . 1 1  80  80 VAL CG2  C 13  19.149 0.30 . 1 . . . .  80 VAL CG2  . 17226 1 
       646 . 1 1  80  80 VAL N    N 15 115.410 0.3  . 1 . . . .  80 VAL N    . 17226 1 
       647 . 1 1  81  81 HIS H    H  1  10.614 0.03 . 1 . . . .  81 HIS HN   . 17226 1 
       648 . 1 1  81  81 HIS HB2  H  1  10.940 0.03 . 2 . . . .  81 HIS HB1  . 17226 1 
       649 . 1 1  81  81 HIS HB3  H  1   8.690 0.03 . 2 . . . .  81 HIS HB2  . 17226 1 
       650 . 1 1  81  81 HIS C    C 13 175.880 0.30 . 1 . . . .  81 HIS C    . 17226 1 
       651 . 1 1  81  81 HIS CA   C 13  73.660 0.30 . 1 . . . .  81 HIS CA   . 17226 1 
       652 . 1 1  81  81 HIS CB   C 13  28.860 0.30 . 1 . . . .  81 HIS CB   . 17226 1 
       653 . 1 1  81  81 HIS N    N 15 118.413 0.3  . 1 . . . .  81 HIS N    . 17226 1 
       654 . 1 1  82  82 GLN H    H  1   9.247 0.03 . 1 . . . .  82 GLN HN   . 17226 1 
       655 . 1 1  82  82 GLN HA   H  1   5.410 0.03 . 1 . . . .  82 GLN HA   . 17226 1 
       656 . 1 1  82  82 GLN HB2  H  1   3.263 0.03 . 2 . . . .  82 GLN HB1  . 17226 1 
       657 . 1 1  82  82 GLN HB3  H  1   3.011 0.03 . 2 . . . .  82 GLN HB2  . 17226 1 
       658 . 1 1  82  82 GLN C    C 13 177.530 0.30 . 1 . . . .  82 GLN C    . 17226 1 
       659 . 1 1  82  82 GLN CA   C 13  58.250 0.30 . 1 . . . .  82 GLN CA   . 17226 1 
       660 . 1 1  82  82 GLN CB   C 13  28.920 0.30 . 1 . . . .  82 GLN CB   . 17226 1 
       661 . 1 1  82  82 GLN N    N 15 122.141 0.3  . 1 . . . .  82 GLN N    . 17226 1 
       662 . 1 1  83  83 GLY H    H  1   9.550 0.03 . 1 . . . .  83 GLY HN   . 17226 1 
       663 . 1 1  83  83 GLY HA2  H  1   4.420 0.03 . 2 . . . .  83 GLY HA1  . 17226 1 
       664 . 1 1  83  83 GLY HA3  H  1   4.207 0.03 . 2 . . . .  83 GLY HA2  . 17226 1 
       665 . 1 1  83  83 GLY C    C 13 175.660 0.30 . 1 . . . .  83 GLY C    . 17226 1 
       666 . 1 1  83  83 GLY CA   C 13  46.540 0.30 . 1 . . . .  83 GLY CA   . 17226 1 
       667 . 1 1  83  83 GLY N    N 15 110.910 0.3  . 1 . . . .  83 GLY N    . 17226 1 
       668 . 1 1  84  84 ARG H    H  1   8.330 0.03 . 1 . . . .  84 ARG HN   . 17226 1 
       669 . 1 1  84  84 ARG HA   H  1   4.543 0.03 . 1 . . . .  84 ARG HA   . 17226 1 
       670 . 1 1  84  84 ARG HB2  H  1   2.054 0.03 . 2 . . . .  84 ARG HB1  . 17226 1 
       671 . 1 1  84  84 ARG C    C 13 176.580 0.30 . 1 . . . .  84 ARG C    . 17226 1 
       672 . 1 1  84  84 ARG CA   C 13  56.840 0.30 . 1 . . . .  84 ARG CA   . 17226 1 
       673 . 1 1  84  84 ARG CB   C 13  31.930 0.30 . 1 . . . .  84 ARG CB   . 17226 1 
       674 . 1 1  84  84 ARG N    N 15 117.440 0.3  . 1 . . . .  84 ARG N    . 17226 1 
       675 . 1 1  85  85 GLY H    H  1   9.055 0.03 . 1 . . . .  85 GLY HN   . 17226 1 
       676 . 1 1  85  85 GLY HA2  H  1   4.090 0.03 . 2 . . . .  85 GLY HA1  . 17226 1 
       677 . 1 1  85  85 GLY HA3  H  1   3.874 0.03 . 2 . . . .  85 GLY HA2  . 17226 1 
       678 . 1 1  85  85 GLY C    C 13 174.175 0.30 . 1 . . . .  85 GLY C    . 17226 1 
       679 . 1 1  85  85 GLY CA   C 13  46.170 0.30 . 1 . . . .  85 GLY CA   . 17226 1 
       680 . 1 1  85  85 GLY N    N 15 109.748 0.3  . 1 . . . .  85 GLY N    . 17226 1 
       681 . 1 1  86  86 ILE H    H  1   8.028 0.03 . 1 . . . .  86 ILE HN   . 17226 1 
       682 . 1 1  86  86 ILE HA   H  1   3.591 0.03 . 1 . . . .  86 ILE HA   . 17226 1 
       683 . 1 1  86  86 ILE HB   H  1   2.165 0.03 . 1 . . . .  86 ILE HB   . 17226 1 
       684 . 1 1  86  86 ILE HG21 H  1  -0.092 0.03 . 1 . . . .  86 ILE HG21 . 17226 1 
       685 . 1 1  86  86 ILE HG22 H  1  -0.092 0.03 . 1 . . . .  86 ILE HG21 . 17226 1 
       686 . 1 1  86  86 ILE HG23 H  1  -0.092 0.03 . 1 . . . .  86 ILE HG21 . 17226 1 
       687 . 1 1  86  86 ILE C    C 13 176.632 0.30 . 1 . . . .  86 ILE C    . 17226 1 
       688 . 1 1  86  86 ILE CA   C 13  62.163 0.30 . 1 . . . .  86 ILE CA   . 17226 1 
       689 . 1 1  86  86 ILE CB   C 13  37.717 0.30 . 1 . . . .  86 ILE CB   . 17226 1 
       690 . 1 1  86  86 ILE CD1  C 13  15.160 0.30 . 1 . . . .  86 ILE CD1  . 17226 1 
       691 . 1 1  86  86 ILE CG1  C 13  28.650 0.30 . 1 . . . .  86 ILE CG1  . 17226 1 
       692 . 1 1  86  86 ILE CG2  C 13  18.540 0.30 . 1 . . . .  86 ILE CG2  . 17226 1 
       693 . 1 1  86  86 ILE N    N 15 120.649 0.3  . 1 . . . .  86 ILE N    . 17226 1 
       694 . 1 1  87  87 THR H    H  1  10.266 0.03 . 1 . . . .  87 THR HN   . 17226 1 
       695 . 1 1  87  87 THR HA   H  1   4.658 0.03 . 1 . . . .  87 THR HA   . 17226 1 
       696 . 1 1  87  87 THR C    C 13 176.419 0.30 . 1 . . . .  87 THR C    . 17226 1 
       697 . 1 1  87  87 THR CA   C 13  60.023 0.30 . 1 . . . .  87 THR CA   . 17226 1 
       698 . 1 1  87  87 THR CB   C 13  72.879 0.30 . 1 . . . .  87 THR CB   . 17226 1 
       699 . 1 1  87  87 THR N    N 15 122.990 0.3  . 1 . . . .  87 THR N    . 17226 1 
       700 . 1 1  88  88 MET H    H  1   9.123 0.03 . 1 . . . .  88 MET HN   . 17226 1 
       701 . 1 1  88  88 MET HB2  H  1   1.983 0.03 . 2 . . . .  88 MET HB1  . 17226 1 
       702 . 1 1  88  88 MET HG2  H  1   2.578 0.03 . 2 . . . .  88 MET HG1  . 17226 1 
       703 . 1 1  88  88 MET C    C 13 178.108 0.30 . 1 . . . .  88 MET C    . 17226 1 
       704 . 1 1  88  88 MET CA   C 13  56.656 0.30 . 1 . . . .  88 MET CA   . 17226 1 
       705 . 1 1  88  88 MET CB   C 13  30.390 0.30 . 1 . . . .  88 MET CB   . 17226 1 
       706 . 1 1  88  88 MET CG   C 13  32.279 0.30 . 1 . . . .  88 MET CG   . 17226 1 
       707 . 1 1  88  88 MET N    N 15 119.634 0.3  . 1 . . . .  88 MET N    . 17226 1 
       708 . 1 1  89  89 HIS H    H  1   8.013 0.03 . 1 . . . .  89 HIS HN   . 17226 1 
       709 . 1 1  89  89 HIS HA   H  1   4.118 0.03 . 1 . . . .  89 HIS HA   . 17226 1 
       710 . 1 1  89  89 HIS HB2  H  1   2.811 0.03 . 2 . . . .  89 HIS HB1  . 17226 1 
       711 . 1 1  89  89 HIS HB3  H  1   2.396 0.03 . 2 . . . .  89 HIS HB2  . 17226 1 
       712 . 1 1  89  89 HIS C    C 13 177.077 0.30 . 1 . . . .  89 HIS C    . 17226 1 
       713 . 1 1  89  89 HIS CA   C 13  59.459 0.30 . 1 . . . .  89 HIS CA   . 17226 1 
       714 . 1 1  89  89 HIS CB   C 13  30.539 0.30 . 1 . . . .  89 HIS CB   . 17226 1 
       715 . 1 1  89  89 HIS N    N 15 120.343 0.3  . 1 . . . .  89 HIS N    . 17226 1 
       716 . 1 1  90  90 HIS H    H  1   6.694 0.03 . 1 . . . .  90 HIS HN   . 17226 1 
       717 . 1 1  90  90 HIS HA   H  1   3.384 0.03 . 1 . . . .  90 HIS HA   . 17226 1 
       718 . 1 1  90  90 HIS HB2  H  1   2.617 0.03 . 2 . . . .  90 HIS HB1  . 17226 1 
       719 . 1 1  90  90 HIS HB3  H  1   2.001 0.03 . 2 . . . .  90 HIS HB2  . 17226 1 
       720 . 1 1  90  90 HIS C    C 13 176.932 0.30 . 1 . . . .  90 HIS C    . 17226 1 
       721 . 1 1  90  90 HIS CA   C 13  60.590 0.30 . 1 . . . .  90 HIS CA   . 17226 1 
       722 . 1 1  90  90 HIS CB   C 13  30.982 0.30 . 1 . . . .  90 HIS CB   . 17226 1 
       723 . 1 1  90  90 HIS N    N 15 117.286 0.3  . 1 . . . .  90 HIS N    . 17226 1 
       724 . 1 1  91  91 PHE H    H  1   7.713 0.03 . 1 . . . .  91 PHE HN   . 17226 1 
       725 . 1 1  91  91 PHE HA   H  1   2.067 0.03 . 1 . . . .  91 PHE HA   . 17226 1 
       726 . 1 1  91  91 PHE HB2  H  1   2.901 0.03 . 2 . . . .  91 PHE HB1  . 17226 1 
       727 . 1 1  91  91 PHE HB3  H  1   1.716 0.03 . 2 . . . .  91 PHE HB2  . 17226 1 
       728 . 1 1  91  91 PHE C    C 13 175.446 0.30 . 1 . . . .  91 PHE C    . 17226 1 
       729 . 1 1  91  91 PHE CA   C 13  61.410 0.30 . 1 . . . .  91 PHE CA   . 17226 1 
       730 . 1 1  91  91 PHE CB   C 13  38.914 0.30 . 1 . . . .  91 PHE CB   . 17226 1 
       731 . 1 1  91  91 PHE N    N 15 118.177 0.3  . 1 . . . .  91 PHE N    . 17226 1 
       732 . 1 1  92  92 SER H    H  1   8.101 0.03 . 1 . . . .  92 SER HN   . 17226 1 
       733 . 1 1  92  92 SER HB2  H  1   3.730 0.03 . 2 . . . .  92 SER HB1  . 17226 1 
       734 . 1 1  92  92 SER C    C 13 177.170 0.30 . 1 . . . .  92 SER C    . 17226 1 
       735 . 1 1  92  92 SER CA   C 13  61.350 0.30 . 1 . . . .  92 SER CA   . 17226 1 
       736 . 1 1  92  92 SER CB   C 13  62.250 0.30 . 1 . . . .  92 SER CB   . 17226 1 
       737 . 1 1  92  92 SER N    N 15 114.483 0.3  . 1 . . . .  92 SER N    . 17226 1 
       738 . 1 1  93  93 LEU H    H  1   7.276 0.03 . 1 . . . .  93 LEU HN   . 17226 1 
       739 . 1 1  93  93 LEU HA   H  1   3.678 0.03 . 1 . . . .  93 LEU HA   . 17226 1 
       740 . 1 1  93  93 LEU HB2  H  1   1.639 0.03 . 2 . . . .  93 LEU HB1  . 17226 1 
       741 . 1 1  93  93 LEU HB3  H  1   0.977 0.03 . 2 . . . .  93 LEU HB2  . 17226 1 
       742 . 1 1  93  93 LEU C    C 13 179.439 0.30 . 1 . . . .  93 LEU C    . 17226 1 
       743 . 1 1  93  93 LEU CA   C 13  56.936 0.30 . 1 . . . .  93 LEU CA   . 17226 1 
       744 . 1 1  93  93 LEU CB   C 13  42.057 0.30 . 1 . . . .  93 LEU CB   . 17226 1 
       745 . 1 1  93  93 LEU N    N 15 121.983 0.3  . 1 . . . .  93 LEU N    . 17226 1 
       746 . 1 1  94  94 VAL H    H  1   7.228 0.03 . 1 . . . .  94 VAL HN   . 17226 1 
       747 . 1 1  94  94 VAL HA   H  1   3.130 0.03 . 1 . . . .  94 VAL HA   . 17226 1 
       748 . 1 1  94  94 VAL HB   H  1   0.487 0.03 . 1 . . . .  94 VAL HB   . 17226 1 
       749 . 1 1  94  94 VAL HG11 H  1  -0.449 0.03 . 2 . . . .  94 VAL HG11 . 17226 1 
       750 . 1 1  94  94 VAL HG12 H  1  -0.449 0.03 . 2 . . . .  94 VAL HG11 . 17226 1 
       751 . 1 1  94  94 VAL HG13 H  1  -0.449 0.03 . 2 . . . .  94 VAL HG11 . 17226 1 
       752 . 1 1  94  94 VAL HG21 H  1  -0.675 0.03 . 2 . . . .  94 VAL HG21 . 17226 1 
       753 . 1 1  94  94 VAL HG22 H  1  -0.675 0.03 . 2 . . . .  94 VAL HG21 . 17226 1 
       754 . 1 1  94  94 VAL HG23 H  1  -0.675 0.03 . 2 . . . .  94 VAL HG21 . 17226 1 
       755 . 1 1  94  94 VAL C    C 13 176.460 0.30 . 1 . . . .  94 VAL C    . 17226 1 
       756 . 1 1  94  94 VAL CA   C 13  67.718 0.30 . 1 . . . .  94 VAL CA   . 17226 1 
       757 . 1 1  94  94 VAL CB   C 13  30.390 0.30 . 1 . . . .  94 VAL CB   . 17226 1 
       758 . 1 1  94  94 VAL CG1  C 13  24.776 0.30 . 1 . . . .  94 VAL CG1  . 17226 1 
       759 . 1 1  94  94 VAL CG2  C 13  19.492 0.30 . 1 . . . .  94 VAL CG2  . 17226 1 
       760 . 1 1  94  94 VAL N    N 15 120.785 0.3  . 1 . . . .  94 VAL N    . 17226 1 
       761 . 1 1  95  95 ALA H    H  1   7.896 0.03 . 1 . . . .  95 ALA HN   . 17226 1 
       762 . 1 1  95  95 ALA HA   H  1   3.236 0.03 . 1 . . . .  95 ALA HA   . 17226 1 
       763 . 1 1  95  95 ALA HB1  H  1   0.767 0.03 . 1 . . . .  95 ALA HB1  . 17226 1 
       764 . 1 1  95  95 ALA HB2  H  1   0.767 0.03 . 1 . . . .  95 ALA HB1  . 17226 1 
       765 . 1 1  95  95 ALA HB3  H  1   0.767 0.03 . 1 . . . .  95 ALA HB1  . 17226 1 
       766 . 1 1  95  95 ALA C    C 13 179.460 0.30 . 1 . . . .  95 ALA C    . 17226 1 
       767 . 1 1  95  95 ALA CA   C 13  54.883 0.30 . 1 . . . .  95 ALA CA   . 17226 1 
       768 . 1 1  95  95 ALA CB   C 13  16.576 0.30 . 1 . . . .  95 ALA CB   . 17226 1 
       769 . 1 1  95  95 ALA N    N 15 121.677 0.3  . 1 . . . .  95 ALA N    . 17226 1 
       770 . 1 1  96  96 GLY H    H  1   7.541 0.03 . 1 . . . .  96 GLY HN   . 17226 1 
       771 . 1 1  96  96 GLY HA2  H  1   3.643 0.03 . 2 . . . .  96 GLY HA1  . 17226 1 
       772 . 1 1  96  96 GLY HA3  H  1   3.506 0.03 . 2 . . . .  96 GLY HA2  . 17226 1 
       773 . 1 1  96  96 GLY C    C 13 175.639 0.30 . 1 . . . .  96 GLY C    . 17226 1 
       774 . 1 1  96  96 GLY CA   C 13  46.960 0.30 . 1 . . . .  96 GLY CA   . 17226 1 
       775 . 1 1  96  96 GLY N    N 15 105.795 0.3  . 1 . . . .  96 GLY N    . 17226 1 
       776 . 1 1  97  97 HIS H    H  1   7.732 0.03 . 1 . . . .  97 HIS HN   . 17226 1 
       777 . 1 1  97  97 HIS HB2  H  1   3.117 0.03 . 2 . . . .  97 HIS HB1  . 17226 1 
       778 . 1 1  97  97 HIS C    C 13 178.760 0.30 . 1 . . . .  97 HIS C    . 17226 1 
       779 . 1 1  97  97 HIS CA   C 13  59.827 0.30 . 1 . . . .  97 HIS CA   . 17226 1 
       780 . 1 1  97  97 HIS CB   C 13  31.178 0.30 . 1 . . . .  97 HIS CB   . 17226 1 
       781 . 1 1  97  97 HIS N    N 15 121.193 0.3  . 1 . . . .  97 HIS N    . 17226 1 
       782 . 1 1  98  98 LEU H    H  1   8.526 0.03 . 1 . . . .  98 LEU HN   . 17226 1 
       783 . 1 1  98  98 LEU HA   H  1   4.064 0.03 . 1 . . . .  98 LEU HA   . 17226 1 
       784 . 1 1  98  98 LEU HD11 H  1   0.155 0.03 . 2 . . . .  98 LEU HD11 . 17226 1 
       785 . 1 1  98  98 LEU HD12 H  1   0.155 0.03 . 2 . . . .  98 LEU HD11 . 17226 1 
       786 . 1 1  98  98 LEU HD13 H  1   0.155 0.03 . 2 . . . .  98 LEU HD11 . 17226 1 
       787 . 1 1  98  98 LEU HG   H  1   0.315 0.03 . 1 . . . .  98 LEU HG   . 17226 1 
       788 . 1 1  98  98 LEU C    C 13 178.220 0.30 . 1 . . . .  98 LEU C    . 17226 1 
       789 . 1 1  98  98 LEU CA   C 13  58.110 0.30 . 1 . . . .  98 LEU CA   . 17226 1 
       790 . 1 1  98  98 LEU CB   C 13  40.750 0.30 . 1 . . . .  98 LEU CB   . 17226 1 
       791 . 1 1  98  98 LEU CD1  C 13  21.195 0.30 . 1 . . . .  98 LEU CD1  . 17226 1 
       792 . 1 1  98  98 LEU CG   C 13  25.546 0.30 . 1 . . . .  98 LEU CG   . 17226 1 
       793 . 1 1  98  98 LEU N    N 15 121.074 0.3  . 1 . . . .  98 LEU N    . 17226 1 
       794 . 1 1  99  99 ALA H    H  1   8.233 0.03 . 1 . . . .  99 ALA HN   . 17226 1 
       795 . 1 1  99  99 ALA HA   H  1   3.879 0.03 . 1 . . . .  99 ALA HA   . 17226 1 
       796 . 1 1  99  99 ALA HB1  H  1   1.488 0.03 . 1 . . . .  99 ALA HB1  . 17226 1 
       797 . 1 1  99  99 ALA HB2  H  1   1.488 0.03 . 1 . . . .  99 ALA HB1  . 17226 1 
       798 . 1 1  99  99 ALA HB3  H  1   1.488 0.03 . 1 . . . .  99 ALA HB1  . 17226 1 
       799 . 1 1  99  99 ALA C    C 13 180.490 0.30 . 1 . . . .  99 ALA C    . 17226 1 
       800 . 1 1  99  99 ALA CA   C 13  56.069 0.30 . 1 . . . .  99 ALA CA   . 17226 1 
       801 . 1 1  99  99 ALA CB   C 13  17.723 0.30 . 1 . . . .  99 ALA CB   . 17226 1 
       802 . 1 1  99  99 ALA N    N 15 121.689 0.3  . 1 . . . .  99 ALA N    . 17226 1 
       803 . 1 1 100 100 ASP H    H  1   8.590 0.03 . 1 . . . . 100 ASP HN   . 17226 1 
       804 . 1 1 100 100 ASP HA   H  1   4.379 0.03 . 1 . . . . 100 ASP HA   . 17226 1 
       805 . 1 1 100 100 ASP HB2  H  1   3.105 0.03 . 2 . . . . 100 ASP HB1  . 17226 1 
       806 . 1 1 100 100 ASP HB3  H  1   2.735 0.03 . 2 . . . . 100 ASP HB2  . 17226 1 
       807 . 1 1 100 100 ASP C    C 13 179.401 0.30 . 1 . . . . 100 ASP C    . 17226 1 
       808 . 1 1 100 100 ASP CA   C 13  57.506 0.30 . 1 . . . . 100 ASP CA   . 17226 1 
       809 . 1 1 100 100 ASP CB   C 13  40.294 0.30 . 1 . . . . 100 ASP CB   . 17226 1 
       810 . 1 1 100 100 ASP N    N 15 120.247 0.3  . 1 . . . . 100 ASP N    . 17226 1 
       811 . 1 1 101 101 ALA H    H  1   8.784 0.03 . 1 . . . . 101 ALA HN   . 17226 1 
       812 . 1 1 101 101 ALA HA   H  1   4.448 0.03 . 1 . . . . 101 ALA HA   . 17226 1 
       813 . 1 1 101 101 ALA HB1  H  1   1.852 0.03 . 1 . . . . 101 ALA HB1  . 17226 1 
       814 . 1 1 101 101 ALA HB2  H  1   1.852 0.03 . 1 . . . . 101 ALA HB1  . 17226 1 
       815 . 1 1 101 101 ALA HB3  H  1   1.852 0.03 . 1 . . . . 101 ALA HB1  . 17226 1 
       816 . 1 1 101 101 ALA C    C 13 180.947 0.30 . 1 . . . . 101 ALA C    . 17226 1 
       817 . 1 1 101 101 ALA CA   C 13  55.190 0.30 . 1 . . . . 101 ALA CA   . 17226 1 
       818 . 1 1 101 101 ALA CB   C 13  18.696 0.30 . 1 . . . . 101 ALA CB   . 17226 1 
       819 . 1 1 101 101 ALA N    N 15 125.997 0.3  . 1 . . . . 101 ALA N    . 17226 1 
       820 . 1 1 102 102 LEU H    H  1   8.786 0.03 . 1 . . . . 102 LEU HN   . 17226 1 
       821 . 1 1 102 102 LEU HA   H  1   3.950 0.03 . 1 . . . . 102 LEU HA   . 17226 1 
       822 . 1 1 102 102 LEU HB2  H  1   2.141 0.03 . 2 . . . . 102 LEU HB1  . 17226 1 
       823 . 1 1 102 102 LEU HB3  H  1   1.172 0.03 . 2 . . . . 102 LEU HB2  . 17226 1 
       824 . 1 1 102 102 LEU HG   H  1   0.802 0.03 . 1 . . . . 102 LEU HG   . 17226 1 
       825 . 1 1 102 102 LEU C    C 13 178.418 0.30 . 1 . . . . 102 LEU C    . 17226 1 
       826 . 1 1 102 102 LEU CA   C 13  58.434 0.30 . 1 . . . . 102 LEU CA   . 17226 1 
       827 . 1 1 102 102 LEU CB   C 13  42.063 0.30 . 1 . . . . 102 LEU CB   . 17226 1 
       828 . 1 1 102 102 LEU CG   C 13  26.890 0.30 . 1 . . . . 102 LEU CG   . 17226 1 
       829 . 1 1 102 102 LEU N    N 15 120.750 0.3  . 1 . . . . 102 LEU N    . 17226 1 
       830 . 1 1 103 103 THR H    H  1   8.627 0.03 . 1 . . . . 103 THR HN   . 17226 1 
       831 . 1 1 103 103 THR HA   H  1   3.940 0.03 . 1 . . . . 103 THR HA   . 17226 1 
       832 . 1 1 103 103 THR HB   H  1   4.400 0.03 . 1 . . . . 103 THR HB   . 17226 1 
       833 . 1 1 103 103 THR C    C 13 178.768 0.30 . 1 . . . . 103 THR C    . 17226 1 
       834 . 1 1 103 103 THR CA   C 13  67.090 0.30 . 1 . . . . 103 THR CA   . 17226 1 
       835 . 1 1 103 103 THR CB   C 13  68.548 0.30 . 1 . . . . 103 THR CB   . 17226 1 
       836 . 1 1 103 103 THR CG2  C 13  21.230 0.30 . 1 . . . . 103 THR CG2  . 17226 1 
       837 . 1 1 103 103 THR N    N 15 118.365 0.3  . 1 . . . . 103 THR N    . 17226 1 
       838 . 1 1 104 104 ALA H    H  1   8.369 0.03 . 1 . . . . 104 ALA HN   . 17226 1 
       839 . 1 1 104 104 ALA HA   H  1   4.187 0.03 . 1 . . . . 104 ALA HA   . 17226 1 
       840 . 1 1 104 104 ALA HB1  H  1   1.597 0.03 . 1 . . . . 104 ALA HB1  . 17226 1 
       841 . 1 1 104 104 ALA HB2  H  1   1.597 0.03 . 1 . . . . 104 ALA HB1  . 17226 1 
       842 . 1 1 104 104 ALA HB3  H  1   1.597 0.03 . 1 . . . . 104 ALA HB1  . 17226 1 
       843 . 1 1 104 104 ALA C    C 13 178.416 0.30 . 1 . . . . 104 ALA C    . 17226 1 
       844 . 1 1 104 104 ALA CA   C 13  54.915 0.30 . 1 . . . . 104 ALA CA   . 17226 1 
       845 . 1 1 104 104 ALA CB   C 13  17.981 0.30 . 1 . . . . 104 ALA CB   . 17226 1 
       846 . 1 1 104 104 ALA N    N 15 126.264 0.3  . 1 . . . . 104 ALA N    . 17226 1 
       847 . 1 1 105 105 ALA H    H  1   7.514 0.03 . 1 . . . . 105 ALA HN   . 17226 1 
       848 . 1 1 105 105 ALA HA   H  1   4.447 0.03 . 1 . . . . 105 ALA HA   . 17226 1 
       849 . 1 1 105 105 ALA HB1  H  1   1.570 0.03 . 1 . . . . 105 ALA HB1  . 17226 1 
       850 . 1 1 105 105 ALA HB2  H  1   1.570 0.03 . 1 . . . . 105 ALA HB1  . 17226 1 
       851 . 1 1 105 105 ALA HB3  H  1   1.570 0.03 . 1 . . . . 105 ALA HB1  . 17226 1 
       852 . 1 1 105 105 ALA C    C 13 177.484 0.30 . 1 . . . . 105 ALA C    . 17226 1 
       853 . 1 1 105 105 ALA CA   C 13  52.097 0.30 . 1 . . . . 105 ALA CA   . 17226 1 
       854 . 1 1 105 105 ALA CB   C 13  18.934 0.30 . 1 . . . . 105 ALA CB   . 17226 1 
       855 . 1 1 105 105 ALA N    N 15 118.412 0.3  . 1 . . . . 105 ALA N    . 17226 1 
       856 . 1 1 106 106 GLY H    H  1   7.956 0.03 . 1 . . . . 106 GLY HN   . 17226 1 
       857 . 1 1 106 106 GLY HA2  H  1   4.170 0.03 . 2 . . . . 106 GLY HA1  . 17226 1 
       858 . 1 1 106 106 GLY C    C 13 174.800 0.30 . 1 . . . . 106 GLY C    . 17226 1 
       859 . 1 1 106 106 GLY CA   C 13  45.459 0.30 . 1 . . . . 106 GLY CA   . 17226 1 
       860 . 1 1 106 106 GLY N    N 15 106.590 0.3  . 1 . . . . 106 GLY N    . 17226 1 
       861 . 1 1 107 107 VAL H    H  1   7.760 0.03 . 1 . . . . 107 VAL HN   . 17226 1 
       862 . 1 1 107 107 VAL CA   C 13  61.020 0.30 . 1 . . . . 107 VAL CA   . 17226 1 
       863 . 1 1 107 107 VAL N    N 15 124.203 0.3  . 1 . . . . 107 VAL N    . 17226 1 
       864 . 1 1 108 108 PRO HA   H  1   4.479 0.03 . 1 . . . . 108 PRO HA   . 17226 1 
       865 . 1 1 108 108 PRO HB2  H  1   2.522 0.03 . 2 . . . . 108 PRO HB1  . 17226 1 
       866 . 1 1 108 108 PRO HB3  H  1   2.089 0.03 . 2 . . . . 108 PRO HB2  . 17226 1 
       867 . 1 1 108 108 PRO HG2  H  1   0.917 0.03 . 2 . . . . 108 PRO HG1  . 17226 1 
       868 . 1 1 108 108 PRO C    C 13 178.420 0.30 . 1 . . . . 108 PRO C    . 17226 1 
       869 . 1 1 108 108 PRO CA   C 13  63.065 0.30 . 1 . . . . 108 PRO CA   . 17226 1 
       870 . 1 1 108 108 PRO CB   C 13  32.990 0.30 . 1 . . . . 108 PRO CB   . 17226 1 
       871 . 1 1 108 108 PRO CG   C 13  28.109 0.30 . 1 . . . . 108 PRO CG   . 17226 1 
       872 . 1 1 109 109 SER H    H  1   8.900 0.03 . 1 . . . . 109 SER HN   . 17226 1 
       873 . 1 1 109 109 SER HA   H  1   3.949 0.03 . 1 . . . . 109 SER HA   . 17226 1 
       874 . 1 1 109 109 SER C    C 13 176.608 0.30 . 1 . . . . 109 SER C    . 17226 1 
       875 . 1 1 109 109 SER CA   C 13  62.590 0.30 . 1 . . . . 109 SER CA   . 17226 1 
       876 . 1 1 109 109 SER N    N 15 119.450 0.3  . 1 . . . . 109 SER N    . 17226 1 
       877 . 1 1 110 110 GLU H    H  1   9.609 0.03 . 1 . . . . 110 GLU HN   . 17226 1 
       878 . 1 1 110 110 GLU HA   H  1   4.148 0.03 . 1 . . . . 110 GLU HA   . 17226 1 
       879 . 1 1 110 110 GLU C    C 13 178.766 0.30 . 1 . . . . 110 GLU C    . 17226 1 
       880 . 1 1 110 110 GLU CA   C 13  59.860 0.30 . 1 . . . . 110 GLU CA   . 17226 1 
       881 . 1 1 110 110 GLU CB   C 13  28.510 0.30 . 1 . . . . 110 GLU CB   . 17226 1 
       882 . 1 1 110 110 GLU N    N 15 120.439 0.3  . 1 . . . . 110 GLU N    . 17226 1 
       883 . 1 1 111 111 THR H    H  1   7.312 0.03 . 1 . . . . 111 THR HN   . 17226 1 
       884 . 1 1 111 111 THR HA   H  1   4.192 0.03 . 1 . . . . 111 THR HA   . 17226 1 
       885 . 1 1 111 111 THR HB   H  1   4.107 0.03 . 1 . . . . 111 THR HB   . 17226 1 
       886 . 1 1 111 111 THR HG21 H  1   1.124 0.03 . 1 . . . . 111 THR HG1  . 17226 1 
       887 . 1 1 111 111 THR HG22 H  1   1.124 0.03 . 1 . . . . 111 THR HG1  . 17226 1 
       888 . 1 1 111 111 THR HG23 H  1   1.124 0.03 . 1 . . . . 111 THR HG1  . 17226 1 
       889 . 1 1 111 111 THR C    C 13 176.055 0.30 . 1 . . . . 111 THR C    . 17226 1 
       890 . 1 1 111 111 THR CA   C 13  65.210 0.30 . 1 . . . . 111 THR CA   . 17226 1 
       891 . 1 1 111 111 THR CB   C 13  67.870 0.30 . 1 . . . . 111 THR CB   . 17226 1 
       892 . 1 1 111 111 THR CG2  C 13  23.630 0.30 . 1 . . . . 111 THR CG2  . 17226 1 
       893 . 1 1 111 111 THR N    N 15 118.255 0.3  . 1 . . . . 111 THR N    . 17226 1 
       894 . 1 1 112 112 ILE H    H  1   8.160 0.03 . 1 . . . . 112 ILE HN   . 17226 1 
       895 . 1 1 112 112 ILE HA   H  1   3.359 0.03 . 1 . . . . 112 ILE HA   . 17226 1 
       896 . 1 1 112 112 ILE HB   H  1   2.094 0.03 . 1 . . . . 112 ILE HB   . 17226 1 
       897 . 1 1 112 112 ILE HD11 H  1   0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 
       898 . 1 1 112 112 ILE HD12 H  1   0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 
       899 . 1 1 112 112 ILE HD13 H  1   0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 
       900 . 1 1 112 112 ILE C    C 13 177.589 0.30 . 1 . . . . 112 ILE C    . 17226 1 
       901 . 1 1 112 112 ILE CA   C 13  67.670 0.30 . 1 . . . . 112 ILE CA   . 17226 1 
       902 . 1 1 112 112 ILE CB   C 13  36.890 0.30 . 1 . . . . 112 ILE CB   . 17226 1 
       903 . 1 1 112 112 ILE CD1  C 13  14.473 0.30 . 1 . . . . 112 ILE CD1  . 17226 1 
       904 . 1 1 112 112 ILE CG1  C 13  29.667 0.30 . 1 . . . . 112 ILE CG1  . 17226 1 
       905 . 1 1 112 112 ILE CG2  C 13  16.153 0.30 . 1 . . . . 112 ILE CG2  . 17226 1 
       906 . 1 1 112 112 ILE N    N 15 124.744 0.3  . 1 . . . . 112 ILE N    . 17226 1 
       907 . 1 1 113 113 THR H    H  1   8.210 0.03 . 1 . . . . 113 THR HN   . 17226 1 
       908 . 1 1 113 113 THR HA   H  1   3.729 0.03 . 1 . . . . 113 THR HA   . 17226 1 
       909 . 1 1 113 113 THR C    C 13 176.984 0.30 . 1 . . . . 113 THR C    . 17226 1 
       910 . 1 1 113 113 THR CA   C 13  67.095 0.30 . 1 . . . . 113 THR CA   . 17226 1 
       911 . 1 1 113 113 THR CB   C 13  68.719 0.30 . 1 . . . . 113 THR CB   . 17226 1 
       912 . 1 1 113 113 THR CG2  C 13  22.192 0.30 . 1 . . . . 113 THR CG2  . 17226 1 
       913 . 1 1 113 113 THR N    N 15 115.615 0.3  . 1 . . . . 113 THR N    . 17226 1 
       914 . 1 1 114 114 GLU H    H  1   7.313 0.03 . 1 . . . . 114 GLU HN   . 17226 1 
       915 . 1 1 114 114 GLU HA   H  1   4.018 0.03 . 1 . . . . 114 GLU HA   . 17226 1 
       916 . 1 1 114 114 GLU HB2  H  1   2.290 0.03 . 2 . . . . 114 GLU HB1  . 17226 1 
       917 . 1 1 114 114 GLU HB3  H  1   2.100 0.03 . 2 . . . . 114 GLU HB2  . 17226 1 
       918 . 1 1 114 114 GLU HG2  H  1   2.161 0.03 . 2 . . . . 114 GLU HG2  . 17226 1 
       919 . 1 1 114 114 GLU C    C 13 179.560 0.30 . 1 . . . . 114 GLU C    . 17226 1 
       920 . 1 1 114 114 GLU CA   C 13  59.880 0.30 . 1 . . . . 114 GLU CA   . 17226 1 
       921 . 1 1 114 114 GLU CB   C 13  29.840 0.30 . 1 . . . . 114 GLU CB   . 17226 1 
       922 . 1 1 114 114 GLU CG   C 13  36.660 0.30 . 1 . . . . 114 GLU CG   . 17226 1 
       923 . 1 1 114 114 GLU N    N 15 121.667 0.3  . 1 . . . . 114 GLU N    . 17226 1 
       924 . 1 1 115 115 ILE H    H  1   8.416 0.03 . 1 . . . . 115 ILE HN   . 17226 1 
       925 . 1 1 115 115 ILE HA   H  1   3.401 0.03 . 1 . . . . 115 ILE HA   . 17226 1 
       926 . 1 1 115 115 ILE HB   H  1   1.952 0.03 . 1 . . . . 115 ILE HB   . 17226 1 
       927 . 1 1 115 115 ILE C    C 13 177.870 0.30 . 1 . . . . 115 ILE C    . 17226 1 
       928 . 1 1 115 115 ILE CA   C 13  66.330 0.30 . 1 . . . . 115 ILE CA   . 17226 1 
       929 . 1 1 115 115 ILE CB   C 13  37.620 0.30 . 1 . . . . 115 ILE CB   . 17226 1 
       930 . 1 1 115 115 ILE CD1  C 13  14.854 0.30 . 1 . . . . 115 ILE CD1  . 17226 1 
       931 . 1 1 115 115 ILE CG1  C 13  30.686 0.30 . 1 . . . . 115 ILE CG1  . 17226 1 
       932 . 1 1 115 115 ILE CG2  C 13  16.413 0.30 . 1 . . . . 115 ILE CG2  . 17226 1 
       933 . 1 1 115 115 ILE N    N 15 121.426 0.3  . 1 . . . . 115 ILE N    . 17226 1 
       934 . 1 1 116 116 LEU H    H  1   8.763 0.03 . 1 . . . . 116 LEU HN   . 17226 1 
       935 . 1 1 116 116 LEU HA   H  1   3.874 0.03 . 1 . . . . 116 LEU HA   . 17226 1 
       936 . 1 1 116 116 LEU HB2  H  1   1.792 0.03 . 2 . . . . 116 LEU HB1  . 17226 1 
       937 . 1 1 116 116 LEU HB3  H  1   1.388 0.03 . 2 . . . . 116 LEU HB2  . 17226 1 
       938 . 1 1 116 116 LEU C    C 13 179.623 0.30 . 1 . . . . 116 LEU C    . 17226 1 
       939 . 1 1 116 116 LEU CA   C 13  57.567 0.30 . 1 . . . . 116 LEU CA   . 17226 1 
       940 . 1 1 116 116 LEU CB   C 13  39.930 0.30 . 1 . . . . 116 LEU CB   . 17226 1 
       941 . 1 1 116 116 LEU N    N 15 119.760 0.3  . 1 . . . . 116 LEU N    . 17226 1 
       942 . 1 1 117 117 GLY H    H  1   7.860 0.03 . 1 . . . . 117 GLY HN   . 17226 1 
       943 . 1 1 117 117 GLY HA2  H  1   3.910 0.03 . 2 . . . . 117 GLY HA1  . 17226 1 
       944 . 1 1 117 117 GLY HA3  H  1   3.820 0.03 . 2 . . . . 117 GLY HA2  . 17226 1 
       945 . 1 1 117 117 GLY C    C 13 175.851 0.30 . 1 . . . . 117 GLY C    . 17226 1 
       946 . 1 1 117 117 GLY CA   C 13  46.533 0.30 . 1 . . . . 117 GLY CA   . 17226 1 
       947 . 1 1 117 117 GLY N    N 15 106.767 0.3  . 1 . . . . 117 GLY N    . 17226 1 
       948 . 1 1 118 118 VAL H    H  1   7.559 0.03 . 1 . . . . 118 VAL HN   . 17226 1 
       949 . 1 1 118 118 VAL HA   H  1   3.809 0.03 . 1 . . . . 118 VAL HA   . 17226 1 
       950 . 1 1 118 118 VAL HB   H  1   2.293 0.03 . 1 . . . . 118 VAL HB   . 17226 1 
       951 . 1 1 118 118 VAL HG11 H  1   0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 
       952 . 1 1 118 118 VAL HG12 H  1   0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 
       953 . 1 1 118 118 VAL HG13 H  1   0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 
       954 . 1 1 118 118 VAL HG21 H  1   0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 
       955 . 1 1 118 118 VAL HG22 H  1   0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 
       956 . 1 1 118 118 VAL HG23 H  1   0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 
       957 . 1 1 118 118 VAL C    C 13 177.330 0.30 . 1 . . . . 118 VAL C    . 17226 1 
       958 . 1 1 118 118 VAL CA   C 13  65.094 0.30 . 1 . . . . 118 VAL CA   . 17226 1 
       959 . 1 1 118 118 VAL CB   C 13  31.560 0.30 . 1 . . . . 118 VAL CB   . 17226 1 
       960 . 1 1 118 118 VAL N    N 15 121.296 0.3  . 1 . . . . 118 VAL N    . 17226 1 
       961 . 1 1 119 119 ILE H    H  1   7.302 0.03 . 1 . . . . 119 ILE HN   . 17226 1 
       962 . 1 1 119 119 ILE HA   H  1   4.103 0.03 . 1 . . . . 119 ILE HA   . 17226 1 
       963 . 1 1 119 119 ILE HB   H  1   1.809 0.03 . 1 . . . . 119 ILE HB   . 17226 1 
       964 . 1 1 119 119 ILE HG12 H  1   1.184 0.03 . 1 . . . . 119 ILE HG12 . 17226 1 
       965 . 1 1 119 119 ILE C    C 13 176.690 0.30 . 1 . . . . 119 ILE C    . 17226 1 
       966 . 1 1 119 119 ILE CA   C 13  60.977 0.30 . 1 . . . . 119 ILE CA   . 17226 1 
       967 . 1 1 119 119 ILE CB   C 13  38.185 0.30 . 1 . . . . 119 ILE CB   . 17226 1 
       968 . 1 1 119 119 ILE CG1  C 13  27.049 0.30 . 1 . . . . 119 ILE CG1  . 17226 1 
       969 . 1 1 119 119 ILE CG2  C 13  18.204 0.30 . 1 . . . . 119 ILE CG2  . 17226 1 
       970 . 1 1 119 119 ILE N    N 15 112.657 0.3  . 1 . . . . 119 ILE N    . 17226 1 
       971 . 1 1 120 120 ALA H    H  1   7.921 0.03 . 1 . . . . 120 ALA HN   . 17226 1 
       972 . 1 1 120 120 ALA HB1  H  1   1.474 0.03 . 1 . . . . 120 ALA HB1  . 17226 1 
       973 . 1 1 120 120 ALA HB2  H  1   1.474 0.03 . 1 . . . . 120 ALA HB1  . 17226 1 
       974 . 1 1 120 120 ALA HB3  H  1   1.474 0.03 . 1 . . . . 120 ALA HB1  . 17226 1 
       975 . 1 1 120 120 ALA CA   C 13  57.014 0.30 . 1 . . . . 120 ALA CA   . 17226 1 
       976 . 1 1 120 120 ALA CB   C 13  15.865 0.30 . 1 . . . . 120 ALA CB   . 17226 1 
       977 . 1 1 120 120 ALA N    N 15 124.164 0.3  . 1 . . . . 120 ALA N    . 17226 1 
       978 . 1 1 121 121 PRO HA   H  1   4.393 0.03 . 1 . . . . 121 PRO HA   . 17226 1 
       979 . 1 1 121 121 PRO HB2  H  1   2.433 0.03 . 2 . . . . 121 PRO HB1  . 17226 1 
       980 . 1 1 121 121 PRO HD2  H  1   3.621 0.03 . 2 . . . . 121 PRO HD1  . 17226 1 
       981 . 1 1 121 121 PRO C    C 13 177.950 0.30 . 1 . . . . 121 PRO C    . 17226 1 
       982 . 1 1 121 121 PRO CA   C 13  65.160 0.30 . 1 . . . . 121 PRO CA   . 17226 1 
       983 . 1 1 121 121 PRO CB   C 13  31.520 0.30 . 1 . . . . 121 PRO CB   . 17226 1 
       984 . 1 1 121 121 PRO CD   C 13  51.554 0.30 . 1 . . . . 121 PRO CD   . 17226 1 
       985 . 1 1 121 121 PRO CG   C 13  28.038 0.30 . 1 . . . . 121 PRO CG   . 17226 1 
       986 . 1 1 122 122 LEU H    H  1   7.851 0.03 . 1 . . . . 122 LEU HN   . 17226 1 
       987 . 1 1 122 122 LEU HA   H  1   4.428 0.03 . 1 . . . . 122 LEU HA   . 17226 1 
       988 . 1 1 122 122 LEU HB2  H  1   2.013 0.03 . 2 . . . . 122 LEU HB1  . 17226 1 
       989 . 1 1 122 122 LEU HB3  H  1   1.449 0.03 . 2 . . . . 122 LEU HB2  . 17226 1 
       990 . 1 1 122 122 LEU HD11 H  1   1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 
       991 . 1 1 122 122 LEU HD12 H  1   1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 
       992 . 1 1 122 122 LEU HD13 H  1   1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 
       993 . 1 1 122 122 LEU HD21 H  1   0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 
       994 . 1 1 122 122 LEU HD22 H  1   0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 
       995 . 1 1 122 122 LEU HD23 H  1   0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 
       996 . 1 1 122 122 LEU HG   H  1   1.847 0.03 . 1 . . . . 122 LEU HG   . 17226 1 
       997 . 1 1 122 122 LEU C    C 13 177.950 0.30 . 1 . . . . 122 LEU C    . 17226 1 
       998 . 1 1 122 122 LEU CA   C 13  55.805 0.30 . 1 . . . . 122 LEU CA   . 17226 1 
       999 . 1 1 122 122 LEU CB   C 13  41.220 0.30 . 1 . . . . 122 LEU CB   . 17226 1 
      1000 . 1 1 122 122 LEU CD1  C 13  26.926 0.30 . 1 . . . . 122 LEU CD1  . 17226 1 
      1001 . 1 1 122 122 LEU CG   C 13  23.071 0.30 . 1 . . . . 122 LEU CG   . 17226 1 
      1002 . 1 1 122 122 LEU N    N 15 115.300 0.3  . 1 . . . . 122 LEU N    . 17226 1 
      1003 . 1 1 123 123 ALA H    H  1   7.330 0.03 . 1 . . . . 123 ALA HN   . 17226 1 
      1004 . 1 1 123 123 ALA HA   H  1   2.701 0.03 . 1 . . . . 123 ALA HA   . 17226 1 
      1005 . 1 1 123 123 ALA HB1  H  1   0.278 0.03 . 1 . . . . 123 ALA HB1  . 17226 1 
      1006 . 1 1 123 123 ALA HB2  H  1   0.278 0.03 . 1 . . . . 123 ALA HB1  . 17226 1 
      1007 . 1 1 123 123 ALA HB3  H  1   0.278 0.03 . 1 . . . . 123 ALA HB1  . 17226 1 
      1008 . 1 1 123 123 ALA C    C 13 179.760 0.30 . 1 . . . . 123 ALA C    . 17226 1 
      1009 . 1 1 123 123 ALA CA   C 13  56.130 0.30 . 1 . . . . 123 ALA CA   . 17226 1 
      1010 . 1 1 123 123 ALA CB   C 13  17.006 0.30 . 1 . . . . 123 ALA CB   . 17226 1 
      1011 . 1 1 123 123 ALA N    N 15 121.382 0.3  . 1 . . . . 123 ALA N    . 17226 1 
      1012 . 1 1 124 124 VAL H    H  1   7.266 0.03 . 1 . . . . 124 VAL HN   . 17226 1 
      1013 . 1 1 124 124 VAL HA   H  1   3.803 0.03 . 1 . . . . 124 VAL HA   . 17226 1 
      1014 . 1 1 124 124 VAL HB   H  1   2.205 0.03 . 1 . . . . 124 VAL HB   . 17226 1 
      1015 . 1 1 124 124 VAL C    C 13 176.785 0.30 . 1 . . . . 124 VAL C    . 17226 1 
      1016 . 1 1 124 124 VAL CA   C 13  65.150 0.30 . 1 . . . . 124 VAL CA   . 17226 1 
      1017 . 1 1 124 124 VAL CB   C 13  31.710 0.30 . 1 . . . . 124 VAL CB   . 17226 1 
      1018 . 1 1 124 124 VAL CG1  C 13  20.869 0.30 . 1 . . . . 124 VAL CG1  . 17226 1 
      1019 . 1 1 124 124 VAL CG2  C 13  21.394 0.30 . 1 . . . . 124 VAL CG2  . 17226 1 
      1020 . 1 1 124 124 VAL N    N 15 115.484 0.3  . 1 . . . . 124 VAL N    . 17226 1 
      1021 . 1 1 125 125 ASP H    H  1   7.685 0.03 . 1 . . . . 125 ASP HN   . 17226 1 
      1022 . 1 1 125 125 ASP HA   H  1   5.259 0.03 . 1 . . . . 125 ASP HA   . 17226 1 
      1023 . 1 1 125 125 ASP HB2  H  1   3.390 0.03 . 2 . . . . 125 ASP HB1  . 17226 1 
      1024 . 1 1 125 125 ASP C    C 13 178.720 0.30 . 1 . . . . 125 ASP C    . 17226 1 
      1025 . 1 1 125 125 ASP CA   C 13  57.308 0.30 . 1 . . . . 125 ASP CA   . 17226 1 
      1026 . 1 1 125 125 ASP CB   C 13  42.980 0.30 . 1 . . . . 125 ASP CB   . 17226 1 
      1027 . 1 1 125 125 ASP N    N 15 120.184 0.3  . 1 . . . . 125 ASP N    . 17226 1 
      1028 . 1 1 126 126 VAL H    H  1   8.725 0.03 . 1 . . . . 126 VAL HN   . 17226 1 
      1029 . 1 1 126 126 VAL HA   H  1   6.739 0.03 . 1 . . . . 126 VAL HA   . 17226 1 
      1030 . 1 1 126 126 VAL HB   H  1   2.400 0.03 . 1 . . . . 126 VAL HB   . 17226 1 
      1031 . 1 1 126 126 VAL C    C 13 176.140 0.30 . 1 . . . . 126 VAL C    . 17226 1 
      1032 . 1 1 126 126 VAL CA   C 13  67.360 0.30 . 1 . . . . 126 VAL CA   . 17226 1 
      1033 . 1 1 126 126 VAL CB   C 13  33.515 0.30 . 1 . . . . 126 VAL CB   . 17226 1 
      1034 . 1 1 126 126 VAL N    N 15 117.460 0.3  . 1 . . . . 126 VAL N    . 17226 1 
      1035 . 1 1 127 127 THR H    H  1   7.826 0.03 . 1 . . . . 127 THR HN   . 17226 1 
      1036 . 1 1 127 127 THR HA   H  1   4.868 0.03 . 1 . . . . 127 THR HA   . 17226 1 
      1037 . 1 1 127 127 THR HB   H  1   4.431 0.03 . 1 . . . . 127 THR HB   . 17226 1 
      1038 . 1 1 127 127 THR HG21 H  1   0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 
      1039 . 1 1 127 127 THR HG22 H  1   0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 
      1040 . 1 1 127 127 THR HG23 H  1   0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 
      1041 . 1 1 127 127 THR C    C 13 175.430 0.30 . 1 . . . . 127 THR C    . 17226 1 
      1042 . 1 1 127 127 THR CA   C 13  61.100 0.30 . 1 . . . . 127 THR CA   . 17226 1 
      1043 . 1 1 127 127 THR CB   C 13  70.860 0.30 . 1 . . . . 127 THR CB   . 17226 1 
      1044 . 1 1 127 127 THR CG2  C 13  21.519 0.30 . 1 . . . . 127 THR CG2  . 17226 1 
      1045 . 1 1 127 127 THR N    N 15 104.670 0.3  . 1 . . . . 127 THR N    . 17226 1 
      1046 . 1 1 128 128 SER H    H  1   8.370 0.03 . 1 . . . . 128 SER HN   . 17226 1 
      1047 . 1 1 128 128 SER HA   H  1   4.855 0.03 . 1 . . . . 128 SER HA   . 17226 1 
      1048 . 1 1 128 128 SER HB2  H  1   4.519 0.03 . 2 . . . . 128 SER HB1  . 17226 1 
      1049 . 1 1 128 128 SER C    C 13 175.644 0.30 . 1 . . . . 128 SER C    . 17226 1 
      1050 . 1 1 128 128 SER CA   C 13  59.690 0.30 . 1 . . . . 128 SER CA   . 17226 1 
      1051 . 1 1 128 128 SER CB   C 13  64.578 0.30 . 1 . . . . 128 SER CB   . 17226 1 
      1052 . 1 1 128 128 SER N    N 15 116.260 0.3  . 1 . . . . 128 SER N    . 17226 1 
      1053 . 1 1 129 129 GLY H    H  1   8.880 0.03 . 1 . . . . 129 GLY HN   . 17226 1 
      1054 . 1 1 129 129 GLY HA2  H  1   4.383 0.03 . 2 . . . . 129 GLY HA1  . 17226 1 
      1055 . 1 1 129 129 GLY HA3  H  1   4.224 0.03 . 2 . . . . 129 GLY HA2  . 17226 1 
      1056 . 1 1 129 129 GLY C    C 13 174.250 0.30 . 1 . . . . 129 GLY C    . 17226 1 
      1057 . 1 1 129 129 GLY CA   C 13  45.514 0.30 . 1 . . . . 129 GLY CA   . 17226 1 
      1058 . 1 1 129 129 GLY N    N 15 111.260 0.3  . 1 . . . . 129 GLY N    . 17226 1 
      1059 . 1 1 130 130 GLU H    H  1   8.577 0.03 . 1 . . . . 130 GLU HN   . 17226 1 
      1060 . 1 1 130 130 GLU HA   H  1   4.495 0.03 . 1 . . . . 130 GLU HA   . 17226 1 
      1061 . 1 1 130 130 GLU HB2  H  1   2.218 0.03 . 2 . . . . 130 GLU HB1  . 17226 1 
      1062 . 1 1 130 130 GLU HB3  H  1   2.101 0.03 . 2 . . . . 130 GLU HB2  . 17226 1 
      1063 . 1 1 130 130 GLU HG2  H  1   2.416 0.03 . 2 . . . . 130 GLU HG1  . 17226 1 
      1064 . 1 1 130 130 GLU HG3  H  1   2.405 0.03 . 2 . . . . 130 GLU HG2  . 17226 1 
      1065 . 1 1 130 130 GLU C    C 13 176.715 0.30 . 1 . . . . 130 GLU C    . 17226 1 
      1066 . 1 1 130 130 GLU CA   C 13  56.737 0.30 . 1 . . . . 130 GLU CA   . 17226 1 
      1067 . 1 1 130 130 GLU CB   C 13  30.670 0.30 . 1 . . . . 130 GLU CB   . 17226 1 
      1068 . 1 1 130 130 GLU CG   C 13  36.396 0.30 . 1 . . . . 130 GLU CG   . 17226 1 
      1069 . 1 1 130 130 GLU N    N 15 120.864 0.3  . 1 . . . . 130 GLU N    . 17226 1 
      1070 . 1 1 131 131 SER H    H  1   8.653 0.03 . 1 . . . . 131 SER HN   . 17226 1 
      1071 . 1 1 131 131 SER HA   H  1   4.656 0.03 . 1 . . . . 131 SER HA   . 17226 1 
      1072 . 1 1 131 131 SER HB2  H  1   3.993 0.03 . 2 . . . . 131 SER HB1  . 17226 1 
      1073 . 1 1 131 131 SER C    C 13 174.898 0.30 . 1 . . . . 131 SER C    . 17226 1 
      1074 . 1 1 131 131 SER CA   C 13  58.390 0.30 . 1 . . . . 131 SER CA   . 17226 1 
      1075 . 1 1 131 131 SER CB   C 13  63.990 0.30 . 1 . . . . 131 SER CB   . 17226 1 
      1076 . 1 1 131 131 SER N    N 15 117.170 0.3  . 1 . . . . 131 SER N    . 17226 1 
      1077 . 1 1 132 132 THR H    H  1   8.399 0.03 . 1 . . . . 132 THR HN   . 17226 1 
      1078 . 1 1 132 132 THR HA   H  1   4.514 0.03 . 1 . . . . 132 THR HA   . 17226 1 
      1079 . 1 1 132 132 THR HB   H  1   4.349 0.03 . 1 . . . . 132 THR HB   . 17226 1 
      1080 . 1 1 132 132 THR HG21 H  1   1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 
      1081 . 1 1 132 132 THR HG22 H  1   1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 
      1082 . 1 1 132 132 THR HG23 H  1   1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 
      1083 . 1 1 132 132 THR C    C 13 174.682 0.30 . 1 . . . . 132 THR C    . 17226 1 
      1084 . 1 1 132 132 THR CA   C 13  61.870 0.30 . 1 . . . . 132 THR CA   . 17226 1 
      1085 . 1 1 132 132 THR CB   C 13  69.785 0.30 . 1 . . . . 132 THR CB   . 17226 1 
      1086 . 1 1 132 132 THR CG2  C 13  21.783 0.30 . 1 . . . . 132 THR CG2  . 17226 1 
      1087 . 1 1 132 132 THR N    N 15 116.246 0.3  . 1 . . . . 132 THR N    . 17226 1 
      1088 . 1 1 133 133 THR H    H  1   8.250 0.03 . 1 . . . . 133 THR HN   . 17226 1 
      1089 . 1 1 133 133 THR HA   H  1   4.395 0.03 . 1 . . . . 133 THR HA   . 17226 1 
      1090 . 1 1 133 133 THR HB   H  1   4.225 0.03 . 1 . . . . 133 THR HB   . 17226 1 
      1091 . 1 1 133 133 THR HG21 H  1   1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 
      1092 . 1 1 133 133 THR HG22 H  1   1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 
      1093 . 1 1 133 133 THR HG23 H  1   1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 
      1094 . 1 1 133 133 THR C    C 13 173.865 0.30 . 1 . . . . 133 THR C    . 17226 1 
      1095 . 1 1 133 133 THR CA   C 13  61.703 0.30 . 1 . . . . 133 THR CA   . 17226 1 
      1096 . 1 1 133 133 THR CB   C 13  69.903 0.30 . 1 . . . . 133 THR CB   . 17226 1 
      1097 . 1 1 133 133 THR CG2  C 13  21.861 0.30 . 1 . . . . 133 THR CG2  . 17226 1 
      1098 . 1 1 133 133 THR N    N 15 116.960 0.3  . 1 . . . . 133 THR N    . 17226 1 
      1099 . 1 1 134 134 ALA H    H  1   8.386 0.03 . 1 . . . . 134 ALA HN   . 17226 1 
      1100 . 1 1 134 134 ALA HA   H  1   4.653 0.03 . 1 . . . . 134 ALA HA   . 17226 1 
      1101 . 1 1 134 134 ALA HB1  H  1   1.415 0.03 . 1 . . . . 134 ALA HB1  . 17226 1 
      1102 . 1 1 134 134 ALA HB2  H  1   1.415 0.03 . 1 . . . . 134 ALA HB1  . 17226 1 
      1103 . 1 1 134 134 ALA HB3  H  1   1.415 0.03 . 1 . . . . 134 ALA HB1  . 17226 1 
      1104 . 1 1 134 134 ALA CA   C 13  50.580 0.30 . 1 . . . . 134 ALA CA   . 17226 1 
      1105 . 1 1 134 134 ALA CB   C 13  18.300 0.30 . 1 . . . . 134 ALA CB   . 17226 1 
      1106 . 1 1 134 134 ALA N    N 15 128.617 0.3  . 1 . . . . 134 ALA N    . 17226 1 
      1107 . 1 1 135 135 PRO HA   H  1   4.499 0.03 . 1 . . . . 135 PRO HA   . 17226 1 
      1108 . 1 1 135 135 PRO HB2  H  1   2.299 0.03 . 2 . . . . 135 PRO HB1  . 17226 1 
      1109 . 1 1 135 135 PRO HB3  H  1   2.053 0.03 . 2 . . . . 135 PRO HB2  . 17226 1 
      1110 . 1 1 135 135 PRO HD2  H  1   3.837 0.03 . 2 . . . . 135 PRO HD1  . 17226 1 
      1111 . 1 1 135 135 PRO HD3  H  1   3.708 0.03 . 2 . . . . 135 PRO HD2  . 17226 1 
      1112 . 1 1 135 135 PRO HG2  H  1   1.976 0.03 . 2 . . . . 135 PRO HG1  . 17226 1 
      1113 . 1 1 135 135 PRO HG3  H  1   1.983 0.03 . 2 . . . . 135 PRO HG2  . 17226 1 
      1114 . 1 1 135 135 PRO C    C 13 176.150 0.30 . 1 . . . . 135 PRO C    . 17226 1 
      1115 . 1 1 135 135 PRO CA   C 13  63.260 0.30 . 1 . . . . 135 PRO CA   . 17226 1 
      1116 . 1 1 135 135 PRO CB   C 13  31.900 0.30 . 1 . . . . 135 PRO CB   . 17226 1 
      1117 . 1 1 135 135 PRO CD   C 13  50.599 0.30 . 1 . . . . 135 PRO CD   . 17226 1 
      1118 . 1 1 135 135 PRO CG   C 13  27.371 0.30 . 1 . . . . 135 PRO CG   . 17226 1 
      1119 . 1 1 136 136 VAL H    H  1   7.751 0.03 . 1 . . . . 136 VAL HN   . 17226 1 
      1120 . 1 1 136 136 VAL HA   H  1   4.034 0.03 . 1 . . . . 136 VAL HA   . 17226 1 
      1121 . 1 1 136 136 VAL HB   H  1   2.096 0.03 . 1 . . . . 136 VAL HB   . 17226 1 
      1122 . 1 1 136 136 VAL CA   C 13  63.480 0.30 . 1 . . . . 136 VAL CA   . 17226 1 
      1123 . 1 1 136 136 VAL CB   C 13  33.298 0.30 . 1 . . . . 136 VAL CB   . 17226 1 
      1124 . 1 1 136 136 VAL N    N 15 124.071 0.3  . 1 . . . . 136 VAL N    . 17226 1 

   stop_

save_


    ##############################
    #  Heteronuclear NOE values  #
    ##############################

save_heteronuclear_noe_list_1
   _Heteronucl_NOE_list.Sf_category                   heteronucl_NOEs
   _Heteronucl_NOE_list.Sf_framecode                  heteronuclear_noe_list_1
   _Heteronucl_NOE_list.Entry_ID                      17226
   _Heteronucl_NOE_list.ID                            1
   _Heteronucl_NOE_list.Sample_condition_list_ID      1
   _Heteronucl_NOE_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_NOE_list.Spectrometer_frequency_1H     500
   _Heteronucl_NOE_list.Heteronuclear_NOE_val_type   'relative intensities'
   _Heteronucl_NOE_list.NOE_ref_val                   2.00E+07
   _Heteronucl_NOE_list.NOE_ref_description           .
   _Heteronucl_NOE_list.Details                       .
   _Heteronucl_NOE_list.Text_data_format              .
   _Heteronucl_NOE_list.Text_data                     .

   loop_
      _Heteronucl_NOE_experiment.Experiment_ID
      _Heteronucl_NOE_experiment.Experiment_name
      _Heteronucl_NOE_experiment.Sample_ID
      _Heteronucl_NOE_experiment.Sample_label
      _Heteronucl_NOE_experiment.Sample_state
      _Heteronucl_NOE_experiment.Entry_ID
      _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 1 

   stop_

   loop_
      _Heteronucl_NOE_software.Software_ID
      _Heteronucl_NOE_software.Software_label
      _Heteronucl_NOE_software.Method_ID
      _Heteronucl_NOE_software.Method_label
      _Heteronucl_NOE_software.Entry_ID
      _Heteronucl_NOE_software.Heteronucl_NOE_list_ID

      4 $NMRView . . 17226 1 

   stop_

   loop_
      _Heteronucl_NOE.ID
      _Heteronucl_NOE.Assembly_atom_ID_1
      _Heteronucl_NOE.Entity_assembly_ID_1
      _Heteronucl_NOE.Entity_ID_1
      _Heteronucl_NOE.Comp_index_ID_1
      _Heteronucl_NOE.Seq_ID_1
      _Heteronucl_NOE.Comp_ID_1
      _Heteronucl_NOE.Atom_ID_1
      _Heteronucl_NOE.Atom_type_1
      _Heteronucl_NOE.Atom_isotope_number_1
      _Heteronucl_NOE.Assembly_atom_ID_2
      _Heteronucl_NOE.Entity_assembly_ID_2
      _Heteronucl_NOE.Entity_ID_2
      _Heteronucl_NOE.Comp_index_ID_2
      _Heteronucl_NOE.Seq_ID_2
      _Heteronucl_NOE.Comp_ID_2
      _Heteronucl_NOE.Atom_ID_2
      _Heteronucl_NOE.Atom_type_2
      _Heteronucl_NOE.Atom_isotope_number_2
      _Heteronucl_NOE.Val
      _Heteronucl_NOE.Val_err
      _Heteronucl_NOE.Resonance_ID_1
      _Heteronucl_NOE.Resonance_ID_2
      _Heteronucl_NOE.Auth_entity_assembly_ID_1
      _Heteronucl_NOE.Auth_seq_ID_1
      _Heteronucl_NOE.Auth_comp_ID_1
      _Heteronucl_NOE.Auth_atom_ID_1
      _Heteronucl_NOE.Auth_entity_assembly_ID_2
      _Heteronucl_NOE.Auth_seq_ID_2
      _Heteronucl_NOE.Auth_comp_ID_2
      _Heteronucl_NOE.Auth_atom_ID_2
      _Heteronucl_NOE.Entry_ID
      _Heteronucl_NOE.Heteronucl_NOE_list_ID

        1 . 1 1   7   7 LEU H H 1 . 1 1   7   7 LEU N N 15 -0.121522693997 0.0366032210835  . . 1   7 LEU H 1   7 LEU N 17226 1 
        2 . 1 1  11  11 GLU H H 1 . 1 1  11  11 GLU N N 15  0.181716833891 0.0278706800446  . . 1  11 GLU H 1  11 GLU N 17226 1 
        3 . 1 1  13  13 ILE H H 1 . 1 1  13  13 ILE N N 15  0.317629179331 0.0189969604863  . . 1  13 ILE H 1  13 ILE N 17226 1 
        4 . 1 1  14  14 SER H H 1 . 1 1  14  14 SER N N 15  0.529909706546 0.0282167042889  . . 1  14 SER H 1  14 SER N 17226 1 
        5 . 1 1  15  15 ILE H H 1 . 1 1  15  15 ILE N N 15  0.797263681592 0.0310945273632  . . 1  15 ILE H 1  15 ILE N 17226 1 
        6 . 1 1  16  16 TYR H H 1 . 1 1  16  16 TYR N N 15  0.817243472981 0.0303582270795  . . 1  16 TYR H 1  16 TYR N 17226 1 
        7 . 1 1  17  17 ASP H H 1 . 1 1  17  17 ASP N N 15  0.805173133083 0.0208594075928  . . 1  17 ASP H 1  17 ASP N 17226 1 
        8 . 1 1  19  19 ILE H H 1 . 1 1  19  19 ILE N N 15  0.800921187308 0.0255885363357  . . 1  19 ILE H 1  19 ILE N 17226 1 
        9 . 1 1  20  20 GLY H H 1 . 1 1  20  20 GLY N N 15  0.786516853933 0.0200642054575  . . 1  20 GLY H 1  20 GLY N 17226 1 
       10 . 1 1  21  21 GLY H H 1 . 1 1  21  21 GLY N N 15  0.726783793474 0.0179275726067  . . 1  21 GLY H 1  21 GLY N 17226 1 
       11 . 1 1  22  22 HIS H H 1 . 1 1  22  22 HIS N N 15  0.75           0.0222024866785  . . 1  22 HIS H 1  22 HIS N 17226 1 
       12 . 1 1  23  23 GLU H H 1 . 1 1  23  23 GLU N N 15  0.686953597848 0.0168123739072  . . 1  23 GLU H 1  23 GLU N 17226 1 
       13 . 1 1  24  24 ALA H H 1 . 1 1  24  24 ALA N N 15  0.756920415225 0.0144175317186  . . 1  24 ALA H 1  24 ALA N 17226 1 
       14 . 1 1  25  25 ILE H H 1 . 1 1  25  25 ILE N N 15  0.746773475745 0.0222518914108  . . 1  25 ILE H 1  25 ILE N 17226 1 
       15 . 1 1  26  26 GLU H H 1 . 1 1  26  26 GLU N N 15  0.716403634625 0.0239120038259  . . 1  26 GLU H 1  26 GLU N 17226 1 
       16 . 1 1  28  28 VAL H H 1 . 1 1  28  28 VAL N N 15  0.771769383698 0.0198807157058  . . 1  28 VAL H 1  28 VAL N 17226 1 
       17 . 1 1  30  30 GLU H H 1 . 1 1  30  30 GLU N N 15  0.70528602462  0.0181028240406  . . 1  30 GLU H 1  30 GLU N 17226 1 
       18 . 1 1  31  31 ASP H H 1 . 1 1  31  31 ASP N N 15  0.75644028103  0.0195160031226  . . 1  31 ASP H 1  31 ASP N 17226 1 
       19 . 1 1  32  32 PHE H H 1 . 1 1  32  32 PHE N N 15  0.785291943829 0.0184774575018  . . 1  32 PHE H 1  32 PHE N 17226 1 
       20 . 1 1  33  33 TYR H H 1 . 1 1  33  33 TYR N N 15  0.730304293456 0.0208420175073  . . 1  33 TYR H 1  33 TYR N 17226 1 
       21 . 1 1  34  34 VAL H H 1 . 1 1  34  34 VAL N N 15  0.789494013132 0.0193124758594  . . 1  34 VAL H 1  34 VAL N 17226 1 
       22 . 1 1  35  35 ARG H H 1 . 1 1  35  35 ARG N N 15  0.788048552754 0.0233426704015  . . 1  35 ARG H 1  35 ARG N 17226 1 
       23 . 1 1  36  36 VAL H H 1 . 1 1  36  36 VAL N N 15  0.759488272921 0.0213219616205  . . 1  36 VAL H 1  36 VAL N 17226 1 
       24 . 1 1  37  37 LEU H H 1 . 1 1  37  37 LEU N N 15  0.774823431658 0.020772746157   . . 1  37 LEU H 1  37 LEU N 17226 1 
       25 . 1 1  38  38 ALA H H 1 . 1 1  38  38 ALA N N 15  0.766805266805 0.017325017325   . . 1  38 ALA H 1  38 ALA N 17226 1 
       26 . 1 1  39  39 ASP H H 1 . 1 1  39  39 ASP N N 15  0.783094098884 0.0159489633174  . . 1  39 ASP H 1  39 ASP N 17226 1 
       27 . 1 1  40  40 ASP H H 1 . 1 1  40  40 ASP N N 15  0.680453635757 0.0166777851901  . . 1  40 ASP H 1  40 ASP N 17226 1 
       28 . 1 1  41  41 GLN H H 1 . 1 1  41  41 GLN N N 15  0.720729366603 0.0159948816379  . . 1  41 GLN H 1  41 GLN N 17226 1 
       29 . 1 1  42  42 LEU H H 1 . 1 1  42  42 LEU N N 15  0.694598043386 0.0212675457252  . . 1  42 LEU H 1  42 LEU N 17226 1 
       30 . 1 1  43  43 SER H H 1 . 1 1  43  43 SER N N 15  0.763897564022 0.0156152404747  . . 1  43 SER H 1  43 SER N 17226 1 
       31 . 1 1  44  44 ALA H H 1 . 1 1  44  44 ALA N N 15  0.757955936353 0.015299877601   . . 1  44 ALA H 1  44 ALA N 17226 1 
       32 . 1 1  45  45 PHE H H 1 . 1 1  45  45 PHE N N 15  0.797359735974 0.016501650165   . . 1  45 PHE H 1  45 PHE N 17226 1 
       33 . 1 1  46  46 PHE H H 1 . 1 1  46  46 PHE N N 15  0.775100401606 0.0223114680946  . . 1  46 PHE H 1  46 PHE N 17226 1 
       34 . 1 1  47  47 SER H H 1 . 1 1  47  47 SER N N 15  0.774677608441 0.0117233294256  . . 1  47 SER H 1  47 SER N 17226 1 
       35 . 1 1  49  49 THR H H 1 . 1 1  49  49 THR N N 15  0.760115606936 0.0160565189467  . . 1  49 THR H 1  49 THR N 17226 1 
       36 . 1 1  51  51 MET H H 1 . 1 1  51  51 MET N N 15  0.79117147708  0.0424448217317  . . 1  51 MET H 1  51 MET N 17226 1 
       37 . 1 1  52  52 SER H H 1 . 1 1  52  52 SER N N 15  0.672752808989 0.0351123595506  . . 1  52 SER H 1  52 SER N 17226 1 
       38 . 1 1  53  53 ARG H H 1 . 1 1  53  53 ARG N N 15  0.789055973266 0.0208855472013  . . 1  53 ARG H 1  53 ARG N 17226 1 
       39 . 1 1  55  55 LYS H H 1 . 1 1  55  55 LYS N N 15  0.719534883721 0.0232558139535  . . 1  55 LYS H 1  55 LYS N 17226 1 
       40 . 1 1  56  56 GLY H H 1 . 1 1  56  56 GLY N N 15  0.779164873009 0.0215238915196  . . 1  56 GLY H 1  56 GLY N 17226 1 
       41 . 1 1  58  58 GLN H H 1 . 1 1  58  58 GLN N N 15  0.796574770259 0.0208855472013  . . 1  58 GLN H 1  58 GLN N 17226 1 
       42 . 1 1  59  59 VAL H H 1 . 1 1  59  59 VAL N N 15  0.757467677218 0.0222915737851  . . 1  59 VAL H 1  59 VAL N 17226 1 
       43 . 1 1  60  60 GLU H H 1 . 1 1  60  60 GLU N N 15  0.741071428571 0.0186011904762  . . 1  60 GLU H 1  60 GLU N 17226 1 
       44 . 1 1  61  61 PHE H H 1 . 1 1  61  61 PHE N N 15  0.71683991684  0.02079002079    . . 1  61 PHE H 1  61 PHE N 17226 1 
       45 . 1 1  62  62 PHE H H 1 . 1 1  62  62 PHE N N 15  0.720188902007 0.0196772924046  . . 1  62 PHE H 1  62 PHE N 17226 1 
       46 . 1 1  63  63 ALA H H 1 . 1 1  63  63 ALA N N 15  0.753908692933 0.0156347717323  . . 1  63 ALA H 1  63 ALA N 17226 1 
       47 . 1 1  64  64 ALA H H 1 . 1 1  64  64 ALA N N 15  0.722691917484 0.0169090294217  . . 1  64 ALA H 1  64 ALA N 17226 1 
       48 . 1 1  66  66 LEU H H 1 . 1 1  66  66 LEU N N 15  0.783393501805 0.0225631768953  . . 1  66 LEU H 1  66 LEU N 17226 1 
       49 . 1 1  67  67 GLY H H 1 . 1 1  67  67 GLY N N 15  0.796271637816 0.0221926320462  . . 1  67 GLY H 1  67 GLY N 17226 1 
       50 . 1 1  68  68 GLY H H 1 . 1 1  68  68 GLY N N 15  0.719647822057 0.0231696014829  . . 1  68 GLY H 1  68 GLY N 17226 1 
       51 . 1 1  70  70 GLU H H 1 . 1 1  70  70 GLU N N 15  0.706046141607 0.0198886237072  . . 1  70 GLU H 1  70 GLU N 17226 1 
       52 . 1 1  72  72 TYR H H 1 . 1 1  72  72 TYR N N 15  0.687100413689 0.0188040616773  . . 1  72 TYR H 1  72 TYR N 17226 1 
       53 . 1 1  73  73 THR H H 1 . 1 1  73  73 THR N N 15  0.685897435897 0.0291375291375  . . 1  73 THR H 1  73 THR N 17226 1 
       54 . 1 1  75  75 ALA H H 1 . 1 1  75  75 ALA N N 15  0.726516052319 0.0198176773682  . . 1  75 ALA H 1  75 ALA N 17226 1 
       55 . 1 1  77  77 MET H H 1 . 1 1  77  77 MET N N 15  0.795131845842 0.0338066260987  . . 1  77 MET H 1  77 MET N 17226 1 
       56 . 1 1  78  78 LYS H H 1 . 1 1  78  78 LYS N N 15  0.807734204793 0.0272331154684  . . 1  78 LYS H 1  78 LYS N 17226 1 
       57 . 1 1  79  79 GLN H H 1 . 1 1  79  79 GLN N N 15  0.590052015605 0.0162548764629  . . 1  79 GLN H 1  79 GLN N 17226 1 
       58 . 1 1  80  80 VAL H H 1 . 1 1  80  80 VAL N N 15  0.597272362615 0.0200561572403  . . 1  80 VAL H 1  80 VAL N 17226 1 
       59 . 1 1  81  81 HIS H H 1 . 1 1  81  81 HIS N N 15  0.61815920398  0.0310945273632  . . 1  81 HIS H 1  81 HIS N 17226 1 
       60 . 1 1  82  82 GLN H H 1 . 1 1  82  82 GLN N N 15  0.7264         0.016            . . 1  82 GLN H 1  82 GLN N 17226 1 
       61 . 1 1  83  83 GLY H H 1 . 1 1  83  83 GLY N N 15  0.7225         0.0208333333333  . . 1  83 GLY H 1  83 GLY N 17226 1 
       62 . 1 1  84  84 ARG H H 1 . 1 1  84  84 ARG N N 15  0.778227848101 0.0253164556962  . . 1  84 ARG H 1  84 ARG N 17226 1 
       63 . 1 1  85  85 GLY H H 1 . 1 1  85  85 GLY N N 15  0.777610818933 0.0187828700225  . . 1  85 GLY H 1  85 GLY N 17226 1 
       64 . 1 1  86  86 ILE H H 1 . 1 1  86  86 ILE N N 15  0.761793826441 0.0291205591147  . . 1  86 ILE H 1  86 ILE N 17226 1 
       65 . 1 1  87  87 THR H H 1 . 1 1  87  87 THR N N 15  0.786469344609 0.0176180408739  . . 1  87 THR H 1  87 THR N 17226 1 
       66 . 1 1  90  90 HIS H H 1 . 1 1  90  90 HIS N N 15  0.745206646783 0.021303792075   . . 1  90 HIS H 1  90 HIS N 17226 1 
       67 . 1 1  91  91 PHE H H 1 . 1 1  91  91 PHE N N 15  0.766950488805 0.0157678965626  . . 1  91 PHE H 1  91 PHE N 17226 1 
       68 . 1 1  92  92 SER H H 1 . 1 1  92  92 SER N N 15  0.760030864198 0.0192901234568  . . 1  92 SER H 1  92 SER N 17226 1 
       69 . 1 1  93  93 LEU H H 1 . 1 1  93  93 LEU N N 15  0.744486692015 0.0190114068441  . . 1  93 LEU H 1  93 LEU N 17226 1 
       70 . 1 1  94  94 VAL H H 1 . 1 1  94  94 VAL N N 15  0.745587745588 0.01665001665    . . 1  94 VAL H 1  94 VAL N 17226 1 
       71 . 1 1  95  95 ALA H H 1 . 1 1  95  95 ALA N N 15  0.779382270357 0.0200561572403  . . 1  95 ALA H 1  95 ALA N 17226 1 
       72 . 1 1  96  96 GLY H H 1 . 1 1  96  96 GLY N N 15  0.819863013699 0.0171232876712  . . 1  96 GLY H 1  96 GLY N 17226 1 
       73 . 1 1  97  97 HIS H H 1 . 1 1  97  97 HIS N N 15  0.713960546282 0.0189681335357  . . 1  97 HIS H 1  97 HIS N 17226 1 
       74 . 1 1  98  98 LEU H H 1 . 1 1  98  98 LEU N N 15  0.717341040462 0.014450867052   . . 1  98 LEU H 1  98 LEU N 17226 1 
       75 . 1 1  99  99 ALA H H 1 . 1 1  99  99 ALA N N 15  0.737699355277 0.0169664065151  . . 1  99 ALA H 1  99 ALA N 17226 1 
       76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15  0.762655045256 0.0167616493463  . . 1 100 ASP H 1 100 ASP N 17226 1 
       77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15  0.755515533543 0.02251238181    . . 1 101 ALA H 1 101 ALA N 17226 1 
       78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15  0.712801330008 0.0207813798836  . . 1 102 LEU H 1 102 LEU N 17226 1 
       79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15  0.821220484514 0.0153327200245  . . 1 103 THR H 1 103 THR N 17226 1 
       80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15  0.738660258336 0.015019525383   . . 1 104 ALA H 1 104 ALA N 17226 1 
       81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15  0.783973412112 0.0184638109306  . . 1 105 ALA H 1 105 ALA N 17226 1 
       82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15  0.792836398838 0.0242013552759  . . 1 106 GLY H 1 106 GLY N 17226 1 
       83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15  0.807939287799 0.0145942790426  . . 1 112 ILE H 1 112 ILE N 17226 1 
       84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15  0.799939558779 0.0151103052282  . . 1 114 GLU H 1 114 GLU N 17226 1 
       85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15  0.76875483372  0.0193348801237  . . 1 115 ILE H 1 115 ILE N 17226 1 
       86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15  0.782345305063 0.0216356555604  . . 1 116 LEU H 1 116 LEU N 17226 1 
       87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15  0.814726840855 0.0169664065151  . . 1 117 GLY H 1 117 GLY N 17226 1 
       88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15  0.785583607757 0.0182949140139  . . 1 118 VAL H 1 118 VAL N 17226 1 
       89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15  0.732347328244 0.0238549618321  . . 1 119 ILE H 1 119 ILE N 17226 1 
       90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15  0.740778001341 0.0167672702884  . . 1 120 ALA H 1 120 ALA N 17226 1 
       91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15  0.750441852245 0.0176740897844  . . 1 122 LEU H 1 122 LEU N 17226 1 
       92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15  0.743043725156 0.0141964792731  . . 1 123 ALA H 1 123 ALA N 17226 1 
       93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15  0.729288975864 0.0163078930202  . . 1 124 VAL H 1 124 VAL N 17226 1 
       94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15  0.676461091379 0.0161446561188  . . 1 125 ASP H 1 125 ASP N 17226 1 
       95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15  0.733057423694 0.0258665287118  . . 1 126 VAL H 1 126 VAL N 17226 1 
       96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15  0.709734513274 0.0221238938053  . . 1 127 THR H 1 127 THR N 17226 1 
       97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15  0.433164128596 0.0423011844332  . . 1 129 GLY H 1 129 GLY N 17226 1 
       98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15  0.236031518625 0.0179083094556  . . 1 130 GLU H 1 130 GLU N 17226 1 
       99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.8233562316   0.0490677134446  . . 1 133 THR H 1 133 THR N 17226 1 
      100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -1.09889893826  0.00983090837593 . . 1 134 ALA H 1 134 ALA N 17226 1 
      101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.78342225315  0.00386607902266 . . 1 136 VAL H 1 136 VAL N 17226 1 

   stop_

save_


save_heteronuclear_noe_list_2
   _Heteronucl_NOE_list.Sf_category                   heteronucl_NOEs
   _Heteronucl_NOE_list.Sf_framecode                  heteronuclear_noe_list_2
   _Heteronucl_NOE_list.Entry_ID                      17226
   _Heteronucl_NOE_list.ID                            2
   _Heteronucl_NOE_list.Sample_condition_list_ID      1
   _Heteronucl_NOE_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_NOE_list.Spectrometer_frequency_1H     600
   _Heteronucl_NOE_list.Heteronuclear_NOE_val_type   'relative intensities'
   _Heteronucl_NOE_list.NOE_ref_val                   2.00E+07
   _Heteronucl_NOE_list.NOE_ref_description           .
   _Heteronucl_NOE_list.Details                       .
   _Heteronucl_NOE_list.Text_data_format              .
   _Heteronucl_NOE_list.Text_data                     .

   loop_
      _Heteronucl_NOE_experiment.Experiment_ID
      _Heteronucl_NOE_experiment.Experiment_name
      _Heteronucl_NOE_experiment.Sample_ID
      _Heteronucl_NOE_experiment.Sample_label
      _Heteronucl_NOE_experiment.Sample_state
      _Heteronucl_NOE_experiment.Entry_ID
      _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 2 

   stop_

   loop_
      _Heteronucl_NOE_software.Software_ID
      _Heteronucl_NOE_software.Software_label
      _Heteronucl_NOE_software.Method_ID
      _Heteronucl_NOE_software.Method_label
      _Heteronucl_NOE_software.Entry_ID
      _Heteronucl_NOE_software.Heteronucl_NOE_list_ID

      4 $NMRView . . 17226 2 

   stop_

   loop_
      _Heteronucl_NOE.ID
      _Heteronucl_NOE.Assembly_atom_ID_1
      _Heteronucl_NOE.Entity_assembly_ID_1
      _Heteronucl_NOE.Entity_ID_1
      _Heteronucl_NOE.Comp_index_ID_1
      _Heteronucl_NOE.Seq_ID_1
      _Heteronucl_NOE.Comp_ID_1
      _Heteronucl_NOE.Atom_ID_1
      _Heteronucl_NOE.Atom_type_1
      _Heteronucl_NOE.Atom_isotope_number_1
      _Heteronucl_NOE.Assembly_atom_ID_2
      _Heteronucl_NOE.Entity_assembly_ID_2
      _Heteronucl_NOE.Entity_ID_2
      _Heteronucl_NOE.Comp_index_ID_2
      _Heteronucl_NOE.Seq_ID_2
      _Heteronucl_NOE.Comp_ID_2
      _Heteronucl_NOE.Atom_ID_2
      _Heteronucl_NOE.Atom_type_2
      _Heteronucl_NOE.Atom_isotope_number_2
      _Heteronucl_NOE.Val
      _Heteronucl_NOE.Val_err
      _Heteronucl_NOE.Resonance_ID_1
      _Heteronucl_NOE.Resonance_ID_2
      _Heteronucl_NOE.Auth_entity_assembly_ID_1
      _Heteronucl_NOE.Auth_seq_ID_1
      _Heteronucl_NOE.Auth_comp_ID_1
      _Heteronucl_NOE.Auth_atom_ID_1
      _Heteronucl_NOE.Auth_entity_assembly_ID_2
      _Heteronucl_NOE.Auth_seq_ID_2
      _Heteronucl_NOE.Auth_comp_ID_2
      _Heteronucl_NOE.Auth_atom_ID_2
      _Heteronucl_NOE.Entry_ID
      _Heteronucl_NOE.Heteronucl_NOE_list_ID

        1 . 1 1   7   7 LEU H H 1 . 1 1   7   7 LEU N N 15  0.0221625251847 0.0282068502351  . . 1   7 LEU H 1   7 LEU N 17226 2 
        2 . 1 1  11  11 GLU H H 1 . 1 1  11  11 GLU N N 15  0.243608297154  0.0202604920405  . . 1  11 GLU H 1  11 GLU N 17226 2 
        3 . 1 1  13  13 ILE H H 1 . 1 1  13  13 ILE N N 15  0.350351461339  0.015538290788   . . 1  13 ILE H 1  13 ILE N 17226 2 
        4 . 1 1  14  14 SER H H 1 . 1 1  14  14 SER N N 15  0.540298507463  0.0208955223881  . . 1  14 SER H 1  14 SER N 17226 2 
        5 . 1 1  15  15 ILE H H 1 . 1 1  15  15 ILE N N 15  0.810163551402  0.0245327102804  . . 1  15 ILE H 1  15 ILE N 17226 2 
        6 . 1 1  16  16 TYR H H 1 . 1 1  16  16 TYR N N 15  0.793013555787  0.021897810219   . . 1  16 TYR H 1  16 TYR N 17226 2 
        7 . 1 1  17  17 ASP H H 1 . 1 1  17  17 ASP N N 15  0.748452696729  0.0185676392573  . . 1  17 ASP H 1  17 ASP N 17226 2 
        8 . 1 1  19  19 ILE H H 1 . 1 1  19  19 ILE N N 15  0.695936478281  0.0196170014012  . . 1  19 ILE H 1  19 ILE N 17226 2 
        9 . 1 1  20  20 GLY H H 1 . 1 1  20  20 GLY N N 15  0.756524981357  0.0156599552573  . . 1  20 GLY H 1  20 GLY N 17226 2 
       10 . 1 1  21  21 GLY H H 1 . 1 1  21  21 GLY N N 15  0.784224497535  0.0159271899886  . . 1  21 GLY H 1  21 GLY N 17226 2 
       11 . 1 1  22  22 HIS H H 1 . 1 1  22  22 HIS N N 15  0.748185117967  0.019056261343   . . 1  22 HIS H 1  22 HIS N 17226 2 
       12 . 1 1  23  23 GLU H H 1 . 1 1  23  23 GLU N N 15  0.788532883642  0.0141652613828  . . 1  23 GLU H 1  23 GLU N 17226 2 
       13 . 1 1  24  24 ALA H H 1 . 1 1  24  24 ALA N N 15  0.743902439024  0.0116407982262  . . 1  24 ALA H 1  24 ALA N 17226 2 
       14 . 1 1  25  25 ILE H H 1 . 1 1  25  25 ILE N N 15  0.754774305556  0.0182291666667  . . 1  25 ILE H 1  25 ILE N 17226 2 
       15 . 1 1  26  26 GLU H H 1 . 1 1  26  26 GLU N N 15  0.777777777778  0.0209267563528  . . 1  26 GLU H 1  26 GLU N 17226 2 
       16 . 1 1  28  28 VAL H H 1 . 1 1  28  28 VAL N N 15  0.763871506049  0.017521902378   . . 1  28 VAL H 1  28 VAL N 17226 2 
       17 . 1 1  30  30 GLU H H 1 . 1 1  30  30 GLU N N 15  0.815033161385  0.0154753131909  . . 1  30 GLU H 1  30 GLU N 17226 2 
       18 . 1 1  31  31 ASP H H 1 . 1 1  31  31 ASP N N 15  0.806587514362  0.0160857908847  . . 1  31 ASP H 1  31 ASP N 17226 2 
       19 . 1 1  32  32 PHE H H 1 . 1 1  32  32 PHE N N 15  0.786027944112  0.0167664670659  . . 1  32 PHE H 1  32 PHE N 17226 2 
       20 . 1 1  33  33 TYR H H 1 . 1 1  33  33 TYR N N 15  0.777425742574  0.0166336633663  . . 1  33 TYR H 1  33 TYR N 17226 2 
       21 . 1 1  34  34 VAL H H 1 . 1 1  34  34 VAL N N 15  0.810589907605  0.0149253731343  . . 1  34 VAL H 1  34 VAL N 17226 2 
       22 . 1 1  35  35 ARG H H 1 . 1 1  35  35 ARG N N 15  0.786745964316  0.017841971113   . . 1  35 ARG H 1  35 ARG N 17226 2 
       23 . 1 1  36  36 VAL H H 1 . 1 1  36  36 VAL N N 15  0.777471445451  0.0165419456479  . . 1  36 VAL H 1  36 VAL N 17226 2 
       24 . 1 1  37  37 LEU H H 1 . 1 1  37  37 LEU N N 15  0.754951456311  0.0163106796117  . . 1  37 LEU H 1  37 LEU N 17226 2 
       25 . 1 1  38  38 ALA H H 1 . 1 1  38  38 ALA N N 15  0.793281653747  0.0135658914729  . . 1  38 ALA H 1  38 ALA N 17226 2 
       26 . 1 1  39  39 ASP H H 1 . 1 1  39  39 ASP N N 15  0.792724992161  0.0131702728128  . . 1  39 ASP H 1  39 ASP N 17226 2 
       27 . 1 1  40  40 ASP H H 1 . 1 1  40  40 ASP N N 15  0.791907514451  0.0134874759152  . . 1  40 ASP H 1  40 ASP N 17226 2 
       28 . 1 1  41  41 GLN H H 1 . 1 1  41  41 GLN N N 15  0.793964016251  0.0121880441091  . . 1  41 GLN H 1  41 GLN N 17226 2 
       29 . 1 1  42  42 LEU H H 1 . 1 1  42  42 LEU N N 15  0.762837249782  0.0182767624021  . . 1  42 LEU H 1  42 LEU N 17226 2 
       30 . 1 1  43  43 SER H H 1 . 1 1  43  43 SER N N 15  0.734888951364  0.0118077031206  . . 1  43 SER H 1  43 SER N 17226 2 
       31 . 1 1  44  44 ALA H H 1 . 1 1  44  44 ALA N N 15  0.75344391341   0.0118077031206  . . 1  44 ALA H 1  44 ALA N 17226 2 
       32 . 1 1  45  45 PHE H H 1 . 1 1  45  45 PHE N N 15  0.80889163322   0.0129669651127  . . 1  45 PHE H 1  45 PHE N 17226 2 
       33 . 1 1  46  46 PHE H H 1 . 1 1  46  46 PHE N N 15  0.757411273486  0.0175365344468  . . 1  46 PHE H 1  46 PHE N 17226 2 
       34 . 1 1  47  47 SER H H 1 . 1 1  47  47 SER N N 15  0.771440553575  0.00880687775215 . . 1  47 SER H 1  47 SER N 17226 2 
       35 . 1 1  49  49 THR H H 1 . 1 1  49  49 THR N N 15  0.783814374646  0.0118845500849  . . 1  49 THR H 1  49 THR N 17226 2 
       36 . 1 1  51  51 MET H H 1 . 1 1  51  51 MET N N 15  0.785195936139  0.0304789550073  . . 1  51 MET H 1  51 MET N 17226 2 
       37 . 1 1  52  52 SER H H 1 . 1 1  52  52 SER N N 15  0.790849673203  0.0274509803922  . . 1  52 SER H 1  52 SER N 17226 2 
       38 . 1 1  53  53 ARG H H 1 . 1 1  53  53 ARG N N 15  0.767557251908  0.0160305343511  . . 1  53 ARG H 1  53 ARG N 17226 2 
       39 . 1 1  55  55 LYS H H 1 . 1 1  55  55 LYS N N 15  0.748852732582  0.017521902378   . . 1  55 LYS H 1  55 LYS N 17226 2 
       40 . 1 1  56  56 GLY H H 1 . 1 1  56  56 GLY N N 15  0.774706867672  0.0175879396985  . . 1  56 GLY H 1  56 GLY N 17226 2 
       41 . 1 1  58  58 GLN H H 1 . 1 1  58  58 GLN N N 15  0.782051282051  0.0168269230769  . . 1  58 GLN H 1  58 GLN N 17226 2 
       42 . 1 1  59  59 VAL H H 1 . 1 1  59  59 VAL N N 15  0.799212598425  0.0165354330709  . . 1  59 VAL H 1  59 VAL N 17226 2 
       43 . 1 1  60  60 GLU H H 1 . 1 1  60  60 GLU N N 15  0.795008912656  0.0149732620321  . . 1  60 GLU H 1  60 GLU N 17226 2 
       44 . 1 1  61  61 PHE H H 1 . 1 1  61  61 PHE N N 15  0.77647489923   0.0153902528399  . . 1  61 PHE H 1  61 PHE N 17226 2 
       45 . 1 1  62  62 PHE H H 1 . 1 1  62  62 PHE N N 15  0.762977099237  0.0160305343511  . . 1  62 PHE H 1  62 PHE N 17226 2 
       46 . 1 1  63  63 ALA H H 1 . 1 1  63  63 ALA N N 15  0.77368586717   0.0132200188857  . . 1  63 ALA H 1  63 ALA N 17226 2 
       47 . 1 1  64  64 ALA H H 1 . 1 1  64  64 ALA N N 15  0.728808353808  0.0128992628993  . . 1  64 ALA H 1  64 ALA N 17226 2 
       48 . 1 1  66  66 LEU H H 1 . 1 1  66  66 LEU N N 15  0.790636042403  0.0185512367491  . . 1  66 LEU H 1  66 LEU N 17226 2 
       49 . 1 1  67  67 GLY H H 1 . 1 1  67  67 GLY N N 15  0.77687366167   0.0179871520343  . . 1  67 GLY H 1  67 GLY N 17226 2 
       50 . 1 1  68  68 GLY H H 1 . 1 1  68  68 GLY N N 15  0.784725136383  0.0176248426353  . . 1  68 GLY H 1  68 GLY N 17226 2 
       51 . 1 1  70  70 GLU H H 1 . 1 1  70  70 GLU N N 15  0.747181266262  0.0182133564614  . . 1  70 GLU H 1  70 GLU N 17226 2 
       52 . 1 1  72  72 TYR H H 1 . 1 1  72  72 TYR N N 15  0.683625336927  0.0141509433962  . . 1  72 TYR H 1  72 TYR N 17226 2 
       53 . 1 1  73  73 THR H H 1 . 1 1  73  73 THR N N 15  0.794676806084  0.0228136882129  . . 1  73 THR H 1  73 THR N 17226 2 
       54 . 1 1  75  75 ALA H H 1 . 1 1  75  75 ALA N N 15  0.709556057186  0.0158013544018  . . 1  75 ALA H 1  75 ALA N 17226 2 
       55 . 1 1  77  77 MET H H 1 . 1 1  77  77 MET N N 15  0.801219512195  0.0256097560976  . . 1  77 MET H 1  77 MET N 17226 2 
       56 . 1 1  78  78 LYS H H 1 . 1 1  78  78 LYS N N 15  0.765266106443  0.0235294117647  . . 1  78 LYS H 1  78 LYS N 17226 2 
       57 . 1 1  79  79 GLN H H 1 . 1 1  79  79 GLN N N 15  0.632375656472  0.0129749768304  . . 1  79 GLN H 1  79 GLN N 17226 2 
       58 . 1 1  80  80 VAL H H 1 . 1 1  80  80 VAL N N 15  0.712103407756  0.0164512338425  . . 1  80 VAL H 1  80 VAL N 17226 2 
       59 . 1 1  81  81 HIS H H 1 . 1 1  81  81 HIS N N 15  0.755150554675  0.0332805071315  . . 1  81 HIS H 1  81 HIS N 17226 2 
       60 . 1 1  82  82 GLN H H 1 . 1 1  82  82 GLN N N 15  0.753938248267  0.0132325141777  . . 1  82 GLN H 1  82 GLN N 17226 2 
       61 . 1 1  83  83 GLY H H 1 . 1 1  83  83 GLY N N 15  0.720527617477  0.0173124484749  . . 1  83 GLY H 1  83 GLY N 17226 2 
       62 . 1 1  84  84 ARG H H 1 . 1 1  84  84 ARG N N 15  0.776249426868  0.019257221458   . . 1  84 ARG H 1  84 ARG N 17226 2 
       63 . 1 1  85  85 GLY H H 1 . 1 1  85  85 GLY N N 15  0.809813463098  0.0170316301703  . . 1  85 GLY H 1  85 GLY N 17226 2 
       64 . 1 1  86  86 ILE H H 1 . 1 1  86  86 ILE N N 15  0.760747663551  0.0261682242991  . . 1  86 ILE H 1  86 ILE N 17226 2 
       65 . 1 1  87  87 THR H H 1 . 1 1  87  87 THR N N 15  0.749523204069  0.0133502860776  . . 1  87 THR H 1  87 THR N 17226 2 
       66 . 1 1  90  90 HIS H H 1 . 1 1  90  90 HIS N N 15  0.80561043066   0.016594231529   . . 1  90 HIS H 1  90 HIS N 17226 2 
       67 . 1 1  91  91 PHE H H 1 . 1 1  91  91 PHE N N 15  0.786308973173  0.0129509713228  . . 1  91 PHE H 1  91 PHE N 17226 2 
       68 . 1 1  92  92 SER H H 1 . 1 1  92  92 SER N N 15  0.802631578947  0.016253869969   . . 1  92 SER H 1  92 SER N 17226 2 
       69 . 1 1  93  93 LEU H H 1 . 1 1  93  93 LEU N N 15  0.830343213729  0.0163806552262  . . 1  93 LEU H 1  93 LEU N 17226 2 
       70 . 1 1  94  94 VAL H H 1 . 1 1  94  94 VAL N N 15  0.78177616375   0.0138659623638  . . 1  94 VAL H 1  94 VAL N 17226 2 
       71 . 1 1  95  95 ALA H H 1 . 1 1  95  95 ALA N N 15  0.820900900901  0.0151351351351  . . 1  95 ALA H 1  95 ALA N 17226 2 
       72 . 1 1  96  96 GLY H H 1 . 1 1  96  96 GLY N N 15  0.757691087853  0.0133206470029  . . 1  96 GLY H 1  96 GLY N 17226 2 
       73 . 1 1  97  97 HIS H H 1 . 1 1  97  97 HIS N N 15  0.783987316686  0.0166468489893  . . 1  97 HIS H 1  97 HIS N 17226 2 
       74 . 1 1  98  98 LEU H H 1 . 1 1  98  98 LEU N N 15  0.753904146473  0.0113085621971  . . 1  98 LEU H 1  98 LEU N 17226 2 
       75 . 1 1  99  99 ALA H H 1 . 1 1  99  99 ALA N N 15  0.774146054181  0.0123674911661  . . 1  99 ALA H 1  99 ALA N 17226 2 
       76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15  0.778582202112  0.0126696832579  . . 1 100 ASP H 1 100 ASP N 17226 2 
       77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15  0.759493670886  0.0177215189873  . . 1 101 ALA H 1 101 ALA N 17226 2 
       78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15  0.774460431655  0.0151079136691  . . 1 102 LEU H 1 102 LEU N 17226 2 
       79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15  0.777746793084  0.0117122141662  . . 1 103 THR H 1 103 THR N 17226 2 
       80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15  0.786605206074  0.0113882863341  . . 1 104 ALA H 1 104 ALA N 17226 2 
       81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15  0.767013888889  0.0145833333333  . . 1 105 ALA H 1 105 ALA N 17226 2 
       82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15  0.732595666206  0.0193637621024  . . 1 106 GLY H 1 106 GLY N 17226 2 
       83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15  0.796528173022  0.0119521912351  . . 1 112 ILE H 1 112 ILE N 17226 2 
       84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15  0.783571220507  0.0122341974949  . . 1 114 GLU H 1 114 GLU N 17226 2 
       85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15  0.768206734534  0.0164447924824  . . 1 115 ILE H 1 115 ILE N 17226 2 
       86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15  0.798279906177  0.0164190774042  . . 1 116 LEU H 1 116 LEU N 17226 2 
       87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15  0.803262642741  0.0137030995106  . . 1 117 GLY H 1 117 GLY N 17226 2 
       88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15  0.772036474164  0.0141843971631  . . 1 118 VAL H 1 118 VAL N 17226 2 
       89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15  0.74734900876   0.0193637621024  . . 1 119 ILE H 1 119 ILE N 17226 2 
       90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15  0.751068727392  0.0138112463006  . . 1 120 ALA H 1 120 ALA N 17226 2 
       91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15  0.810356892932  0.0146955913226  . . 1 122 LEU H 1 122 LEU N 17226 2 
       92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15  0.796595245084  0.012327560904   . . 1 123 ALA H 1 123 ALA N 17226 2 
       93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15  0.678384212149  0.0129509713228  . . 1 124 VAL H 1 124 VAL N 17226 2 
       94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15  0.658854166667  0.013671875      . . 1 125 ASP H 1 125 ASP N 17226 2 
       95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15  0.724938271605  0.0207407407407  . . 1 126 VAL H 1 126 VAL N 17226 2 
       96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15  0.743326488706  0.0172484599589  . . 1 127 THR H 1 127 THR N 17226 2 
       97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15  0.54845814978   0.0308370044053  . . 1 129 GLY H 1 129 GLY N 17226 2 
       98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15  0.325301204819  0.0129749768304  . . 1 130 GLU H 1 130 GLU N 17226 2 
       99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.373913043478  0.0280936454849  . . 1 133 THR H 1 133 THR N 17226 2 
      100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.70644312952   0.0069033530572  . . 1 134 ALA H 1 134 ALA N 17226 2 
      101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.53641444899   0.00350379577876 . . 1 136 VAL H 1 136 VAL N 17226 2 

   stop_

save_


save_heteronuclear_noe_list_3
   _Heteronucl_NOE_list.Sf_category                   heteronucl_NOEs
   _Heteronucl_NOE_list.Sf_framecode                  heteronuclear_noe_list_3
   _Heteronucl_NOE_list.Entry_ID                      17226
   _Heteronucl_NOE_list.ID                            3
   _Heteronucl_NOE_list.Sample_condition_list_ID      1
   _Heteronucl_NOE_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_NOE_list.Spectrometer_frequency_1H     800
   _Heteronucl_NOE_list.Heteronuclear_NOE_val_type   'relative intensities'
   _Heteronucl_NOE_list.NOE_ref_val                   2.00E+07
   _Heteronucl_NOE_list.NOE_ref_description           .
   _Heteronucl_NOE_list.Details                       .
   _Heteronucl_NOE_list.Text_data_format              .
   _Heteronucl_NOE_list.Text_data                     .

   loop_
      _Heteronucl_NOE_experiment.Experiment_ID
      _Heteronucl_NOE_experiment.Experiment_name
      _Heteronucl_NOE_experiment.Sample_ID
      _Heteronucl_NOE_experiment.Sample_label
      _Heteronucl_NOE_experiment.Sample_state
      _Heteronucl_NOE_experiment.Entry_ID
      _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 3 

   stop_

   loop_
      _Heteronucl_NOE_software.Software_ID
      _Heteronucl_NOE_software.Software_label
      _Heteronucl_NOE_software.Method_ID
      _Heteronucl_NOE_software.Method_label
      _Heteronucl_NOE_software.Entry_ID
      _Heteronucl_NOE_software.Heteronucl_NOE_list_ID

      4 $NMRView . . 17226 3 

   stop_

   loop_
      _Heteronucl_NOE.ID
      _Heteronucl_NOE.Assembly_atom_ID_1
      _Heteronucl_NOE.Entity_assembly_ID_1
      _Heteronucl_NOE.Entity_ID_1
      _Heteronucl_NOE.Comp_index_ID_1
      _Heteronucl_NOE.Seq_ID_1
      _Heteronucl_NOE.Comp_ID_1
      _Heteronucl_NOE.Atom_ID_1
      _Heteronucl_NOE.Atom_type_1
      _Heteronucl_NOE.Atom_isotope_number_1
      _Heteronucl_NOE.Assembly_atom_ID_2
      _Heteronucl_NOE.Entity_assembly_ID_2
      _Heteronucl_NOE.Entity_ID_2
      _Heteronucl_NOE.Comp_index_ID_2
      _Heteronucl_NOE.Seq_ID_2
      _Heteronucl_NOE.Comp_ID_2
      _Heteronucl_NOE.Atom_ID_2
      _Heteronucl_NOE.Atom_type_2
      _Heteronucl_NOE.Atom_isotope_number_2
      _Heteronucl_NOE.Val
      _Heteronucl_NOE.Val_err
      _Heteronucl_NOE.Resonance_ID_1
      _Heteronucl_NOE.Resonance_ID_2
      _Heteronucl_NOE.Auth_entity_assembly_ID_1
      _Heteronucl_NOE.Auth_seq_ID_1
      _Heteronucl_NOE.Auth_comp_ID_1
      _Heteronucl_NOE.Auth_atom_ID_1
      _Heteronucl_NOE.Auth_entity_assembly_ID_2
      _Heteronucl_NOE.Auth_seq_ID_2
      _Heteronucl_NOE.Auth_comp_ID_2
      _Heteronucl_NOE.Auth_atom_ID_2
      _Heteronucl_NOE.Entry_ID
      _Heteronucl_NOE.Heteronucl_NOE_list_ID

        1 . 1 1   7   7 LEU H H 1 . 1 1   7   7 LEU N N 15  0.314996232102   0.0226073850791  . . 1   7 LEU H 1   7 LEU N 17226 3 
        2 . 1 1  11  11 GLU H H 1 . 1 1  11  11 GLU N N 15  0.365363735071   0.0162866449511  . . 1  11 GLU H 1  11 GLU N 17226 3 
        3 . 1 1  13  13 ILE H H 1 . 1 1  13  13 ILE N N 15  0.470540758676   0.0121065375303  . . 1  13 ILE H 1  13 ILE N 17226 3 
        4 . 1 1  14  14 SER H H 1 . 1 1  14  14 SER N N 15  0.619109947644   0.0196335078534  . . 1  14 SER H 1  14 SER N 17226 3 
        5 . 1 1  15  15 ILE H H 1 . 1 1  15  15 ILE N N 15  0.810868031052   0.0211714890614  . . 1  15 ILE H 1  15 ILE N 17226 3 
        6 . 1 1  16  16 TYR H H 1 . 1 1  16  16 TYR N N 15  0.8125           0.01875          . . 1  16 TYR H 1  16 TYR N 17226 3 
        7 . 1 1  17  17 ASP H H 1 . 1 1  17  17 ASP N N 15  0.844074844075   0.0155925155925  . . 1  17 ASP H 1  17 ASP N 17226 3 
        8 . 1 1  19  19 ILE H H 1 . 1 1  19  19 ILE N N 15  0.84977324263    0.0170068027211  . . 1  19 ILE H 1  19 ILE N 17226 3 
        9 . 1 1  20  20 GLY H H 1 . 1 1  20  20 GLY N N 15  0.809300140911   0.0140911225928  . . 1  20 GLY H 1  20 GLY N 17226 3 
       10 . 1 1  21  21 GLY H H 1 . 1 1  21  21 GLY N N 15  0.836113837095   0.0147203140334  . . 1  21 GLY H 1  21 GLY N 17226 3 
       11 . 1 1  22  22 HIS H H 1 . 1 1  22  22 HIS N N 15  0.869641808573   0.0176159718144  . . 1  22 HIS H 1  22 HIS N 17226 3 
       12 . 1 1  23  23 GLU H H 1 . 1 1  23  23 GLU N N 15  0.771222410866   0.0127334465195  . . 1  23 GLU H 1  23 GLU N 17226 3 
       13 . 1 1  24  24 ALA H H 1 . 1 1  24  24 ALA N N 15  0.788537549407   0.0098814229249  . . 1  24 ALA H 1  24 ALA N 17226 3 
       14 . 1 1  25  25 ILE H H 1 . 1 1  25  25 ILE N N 15  0.791558103179   0.0156331422616  . . 1  25 ILE H 1  25 ILE N 17226 3 
       15 . 1 1  26  26 GLU H H 1 . 1 1  26  26 GLU N N 15  0.811023622047   0.0196850393701  . . 1  26 GLU H 1  26 GLU N 17226 3 
       16 . 1 1  28  28 VAL H H 1 . 1 1  28  28 VAL N N 15  0.823129251701   0.0145772594752  . . 1  28 VAL H 1  28 VAL N 17226 3 
       17 . 1 1  30  30 GLU H H 1 . 1 1  30  30 GLU N N 15  0.904052165813   0.0139729855612  . . 1  30 GLU H 1  30 GLU N 17226 3 
       18 . 1 1  31  31 ASP H H 1 . 1 1  31  31 ASP N N 15  0.831996434938   0.0133689839572  . . 1  31 ASP H 1  31 ASP N 17226 3 
       19 . 1 1  32  32 PHE H H 1 . 1 1  32  32 PHE N N 15  0.841397849462   0.0134408602151  . . 1  32 PHE H 1  32 PHE N 17226 3 
       20 . 1 1  33  33 TYR H H 1 . 1 1  33  33 TYR N N 15  0.86467308667    0.0152052711607  . . 1  33 TYR H 1  33 TYR N 17226 3 
       21 . 1 1  34  34 VAL H H 1 . 1 1  34  34 VAL N N 15  0.809178743961   0.012077294686   . . 1  34 VAL H 1  34 VAL N 17226 3 
       22 . 1 1  35  35 ARG H H 1 . 1 1  35  35 ARG N N 15  0.817382307294   0.0155199172271  . . 1  35 ARG H 1  35 ARG N 17226 3 
       23 . 1 1  36  36 VAL H H 1 . 1 1  36  36 VAL N N 15  0.805696846389   0.0152594099695  . . 1  36 VAL H 1  36 VAL N 17226 3 
       24 . 1 1  37  37 LEU H H 1 . 1 1  37  37 LEU N N 15  0.866737176097   0.0158646218932  . . 1  37 LEU H 1  37 LEU N 17226 3 
       25 . 1 1  38  38 ALA H H 1 . 1 1  38  38 ALA N N 15  0.880068288519   0.0128040973111  . . 1  38 ALA H 1  38 ALA N 17226 3 
       26 . 1 1  39  39 ASP H H 1 . 1 1  39  39 ASP N N 15  0.841325811001   0.0105782792666  . . 1  39 ASP H 1  39 ASP N 17226 3 
       27 . 1 1  40  40 ASP H H 1 . 1 1  40  40 ASP N N 15  0.793465577596   0.0116686114352  . . 1  40 ASP H 1  40 ASP N 17226 3 
       28 . 1 1  41  41 GLN H H 1 . 1 1  41  41 GLN N N 15  0.80317577548    0.0110782865583  . . 1  41 GLN H 1  41 GLN N 17226 3 
       29 . 1 1  42  42 LEU H H 1 . 1 1  42  42 LEU N N 15  0.796330275229   0.0137614678899  . . 1  42 LEU H 1  42 LEU N 17226 3 
       30 . 1 1  43  43 SER H H 1 . 1 1  43  43 SER N N 15  0.816104078762   0.0105485232068  . . 1  43 SER H 1  43 SER N 17226 3 
       31 . 1 1  44  44 ALA H H 1 . 1 1  44  44 ALA N N 15  0.802334337349   0.0112951807229  . . 1  44 ALA H 1  44 ALA N 17226 3 
       32 . 1 1  45  45 PHE H H 1 . 1 1  45  45 PHE N N 15  0.865963266901   0.0117233294256  . . 1  45 PHE H 1  45 PHE N 17226 3 
       33 . 1 1  46  46 PHE H H 1 . 1 1  46  46 PHE N N 15  0.848421052632   0.0157894736842  . . 1  46 PHE H 1  46 PHE N 17226 3 
       34 . 1 1  47  47 SER H H 1 . 1 1  47  47 SER N N 15  0.824823465508   0.00814774579033 . . 1  47 SER H 1  47 SER N 17226 3 
       35 . 1 1  49  49 THR H H 1 . 1 1  49  49 THR N N 15  0.81036234338    0.0101591601761  . . 1  49 THR H 1  49 THR N 17226 3 
       36 . 1 1  51  51 MET H H 1 . 1 1  51  51 MET N N 15  0.821976149915   0.0255536626917  . . 1  51 MET H 1  51 MET N 17226 3 
       37 . 1 1  52  52 SER H H 1 . 1 1  52  52 SER N N 15  0.817453963171   0.0240192153723  . . 1  52 SER H 1  52 SER N 17226 3 
       38 . 1 1  53  53 ARG H H 1 . 1 1  53  53 ARG N N 15  0.791760977818   0.0135808057945  . . 1  53 ARG H 1  53 ARG N 17226 3 
       39 . 1 1  55  55 LYS H H 1 . 1 1  55  55 LYS N N 15  0.800870511425   0.0163220892274  . . 1  55 LYS H 1  55 LYS N 17226 3 
       40 . 1 1  56  56 GLY H H 1 . 1 1  56  56 GLY N N 15  0.831813576494   0.0151975683891  . . 1  56 GLY H 1  56 GLY N 17226 3 
       41 . 1 1  58  58 GLN H H 1 . 1 1  58  58 GLN N N 15  0.876002137894   0.0160342063068  . . 1  58 GLN H 1  58 GLN N 17226 3 
       42 . 1 1  59  59 VAL H H 1 . 1 1  59  59 VAL N N 15  0.780203784571   0.0145560407569  . . 1  59 VAL H 1  59 VAL N 17226 3 
       43 . 1 1  60  60 GLU H H 1 . 1 1  60  60 GLU N N 15  0.823811600523   0.0130832969908  . . 1  60 GLU H 1  60 GLU N 17226 3 
       44 . 1 1  61  61 PHE H H 1 . 1 1  61  61 PHE N N 15  0.880662445202   0.014612761812   . . 1  61 PHE H 1  61 PHE N 17226 3 
       45 . 1 1  62  62 PHE H H 1 . 1 1  62  62 PHE N N 15  0.868532206969   0.0158394931362  . . 1  62 PHE H 1  62 PHE N 17226 3 
       46 . 1 1  63  63 ALA H H 1 . 1 1  63  63 ALA N N 15  0.800256081946   0.0128040973111  . . 1  63 ALA H 1  63 ALA N 17226 3 
       47 . 1 1  64  64 ALA H H 1 . 1 1  64  64 ALA N N 15  0.830730265935   0.0126635711271  . . 1  64 ALA H 1  64 ALA N 17226 3 
       48 . 1 1  66  66 LEU H H 1 . 1 1  66  66 LEU N N 15  0.81489036206    0.0152983171851  . . 1  66 LEU H 1  66 LEU N 17226 3 
       49 . 1 1  67  67 GLY H H 1 . 1 1  67  67 GLY N N 15  0.821853961678   0.0155359917141  . . 1  67 GLY H 1  67 GLY N 17226 3 
       50 . 1 1  68  68 GLY H H 1 . 1 1  68  68 GLY N N 15  0.832139201638   0.0153531218014  . . 1  68 GLY H 1  68 GLY N 17226 3 
       51 . 1 1  70  70 GLU H H 1 . 1 1  70  70 GLU N N 15  0.765339578454   0.0140515222482  . . 1  70 GLU H 1  70 GLU N 17226 3 
       52 . 1 1  72  72 TYR H H 1 . 1 1  72  72 TYR N N 15  0.72516286645    0.0122149837134  . . 1  72 TYR H 1  72 TYR N 17226 3 
       53 . 1 1  73  73 THR H H 1 . 1 1  73  73 THR N N 15  0.749666221629   0.0200267022697  . . 1  73 THR H 1  73 THR N 17226 3 
       54 . 1 1  75  75 ALA H H 1 . 1 1  75  75 ALA N N 15  0.759340126152   0.0145560407569  . . 1  75 ALA H 1  75 ALA N 17226 3 
       55 . 1 1  77  77 MET H H 1 . 1 1  77  77 MET N N 15  0.86468401487    0.0223048327138  . . 1  77 MET H 1  77 MET N 17226 3 
       56 . 1 1  78  78 LYS H H 1 . 1 1  78  78 LYS N N 15  0.790178571429   0.0223214285714  . . 1  78 LYS H 1  78 LYS N 17226 3 
       57 . 1 1  79  79 GLN H H 1 . 1 1  79  79 GLN N N 15  0.668639053254   0.0118343195266  . . 1  79 GLN H 1  79 GLN N 17226 3 
       58 . 1 1  80  80 VAL H H 1 . 1 1  80  80 VAL N N 15  0.773303916161   0.0165471594043  . . 1  80 VAL H 1  80 VAL N 17226 3 
       59 . 1 1  81  81 HIS H H 1 . 1 1  81  81 HIS N N 15  0.756291390728   0.0397350993377  . . 1  81 HIS H 1  81 HIS N 17226 3 
       60 . 1 1  82  82 GLN H H 1 . 1 1  82  82 GLN N N 15  0.769739561802   0.0124018189334  . . 1  82 GLN H 1  82 GLN N 17226 3 
       61 . 1 1  83  83 GLY H H 1 . 1 1  83  83 GLY N N 15  0.77626459144    0.0145914396887  . . 1  83 GLY H 1  83 GLY N 17226 3 
       62 . 1 1  84  84 ARG H H 1 . 1 1  84  84 ARG N N 15  0.858147713951   0.0175849941383  . . 1  84 ARG H 1  84 ARG N 17226 3 
       63 . 1 1  85  85 GLY H H 1 . 1 1  85  85 GLY N N 15  0.830384117393   0.0129477772982  . . 1  85 GLY H 1  85 GLY N 17226 3 
       64 . 1 1  86  86 ILE H H 1 . 1 1  86  86 ILE N N 15  0.850678733032   0.0226244343891  . . 1  86 ILE H 1  86 ILE N 17226 3 
       65 . 1 1  87  87 THR H H 1 . 1 1  87  87 THR N N 15  0.828232593726   0.0114766641163  . . 1  87 THR H 1  87 THR N 17226 3 
       66 . 1 1  90  90 HIS H H 1 . 1 1  90  90 HIS N N 15  0.821850393701   0.0147637795276  . . 1  90 HIS H 1  90 HIS N 17226 3 
       67 . 1 1  91  91 PHE H H 1 . 1 1  91  91 PHE N N 15  0.850704225352   0.0105633802817  . . 1  91 PHE H 1  91 PHE N 17226 3 
       68 . 1 1  92  92 SER H H 1 . 1 1  92  92 SER N N 15  0.884395813511   0.0142721217888  . . 1  92 SER H 1  92 SER N 17226 3 
       69 . 1 1  93  93 LEU H H 1 . 1 1  93  93 LEU N N 15  0.821734985701   0.0142993326978  . . 1  93 LEU H 1  93 LEU N 17226 3 
       70 . 1 1  94  94 VAL H H 1 . 1 1  94  94 VAL N N 15  0.784989858012   0.0121703853955  . . 1  94 VAL H 1  94 VAL N 17226 3 
       71 . 1 1  95  95 ALA H H 1 . 1 1  95  95 ALA N N 15  0.855855855856   0.0135135135135  . . 1  95 ALA H 1  95 ALA N 17226 3 
       72 . 1 1  96  96 GLY H H 1 . 1 1  96  96 GLY N N 15  0.842725598527   0.0110497237569  . . 1  96 GLY H 1  96 GLY N 17226 3 
       73 . 1 1  97  97 HIS H H 1 . 1 1  97  97 HIS N N 15  0.843631178707   0.0142585551331  . . 1  97 HIS H 1  97 HIS N 17226 3 
       74 . 1 1  98  98 LEU H H 1 . 1 1  98  98 LEU N N 15  0.819863680623   0.00973709834469 . . 1  98 LEU H 1  98 LEU N 17226 3 
       75 . 1 1  99  99 ALA H H 1 . 1 1  99  99 ALA N N 15  0.879932829555   0.0125944584383  . . 1  99 ALA H 1  99 ALA N 17226 3 
       76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15  0.830968788002   0.0121605188488  . . 1 100 ASP H 1 100 ASP N 17226 3 
       77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15  0.820224719101   0.016051364366   . . 1 101 ALA H 1 101 ALA N 17226 3 
       78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15  0.830777096115   0.0153374233129  . . 1 102 LEU H 1 102 LEU N 17226 3 
       79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15  0.87173231091    0.0104566050889  . . 1 103 THR H 1 103 THR N 17226 3 
       80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15  0.837883959044   0.0102389078498  . . 1 104 ALA H 1 104 ALA N 17226 3 
       81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15  0.768615902398   0.0126209507783  . . 1 105 ALA H 1 105 ALA N 17226 3 
       82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15  0.778770949721   0.0167597765363  . . 1 106 GLY H 1 106 GLY N 17226 3 
       83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15  0.795212765957   0.00997340425532 . . 1 112 ILE H 1 112 ILE N 17226 3 
       84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15  0.874786178584   0.0102634279849  . . 1 114 GLU H 1 114 GLU N 17226 3 
       85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15  0.786641929499   0.0139146567718  . . 1 115 ILE H 1 115 ILE N 17226 3 
       86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15  0.834877384196   0.016348773842   . . 1 116 LEU H 1 116 LEU N 17226 3 
       87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15  0.843182696022   0.0115874855156  . . 1 117 GLY H 1 117 GLY N 17226 3 
       88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15  0.850122850123   0.012285012285   . . 1 118 VAL H 1 118 VAL N 17226 3 
       89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15  0.849449204406   0.0183598531212  . . 1 119 ILE H 1 119 ILE N 17226 3 
       90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15  0.856580673371   0.013117621338   . . 1 120 ALA H 1 120 ALA N 17226 3 
       91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15  0.821596244131   0.0128040973111  . . 1 122 LEU H 1 122 LEU N 17226 3 
       92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15  0.901587301587   0.0119047619048  . . 1 123 ALA H 1 123 ALA N 17226 3 
       93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15  0.756983240223   0.0119712689545  . . 1 124 VAL H 1 124 VAL N 17226 3 
       94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15  0.738528481013   0.0118670886076  . . 1 125 ASP H 1 125 ASP N 17226 3 
       95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15  0.818825194621   0.0212314225053  . . 1 126 VAL H 1 126 VAL N 17226 3 
       96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15  0.801859099804   0.0146771037182  . . 1 127 THR H 1 127 THR N 17226 3 
       97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15  0.604549431321   0.0262467191601  . . 1 129 GLY H 1 129 GLY N 17226 3 
       98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15  0.479737553068   0.0115785411038  . . 1 130 GLU H 1 130 GLU N 17226 3 
       99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15  0.00955882352941 0.0220588235294  . . 1 133 THR H 1 133 THR N 17226 3 
      100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.200037009623   0.00555144337528 . . 1 134 ALA H 1 134 ALA N 17226 3 
      101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -0.65769258907    0.00219474723828 . . 1 136 VAL H 1 136 VAL N 17226 3 

   stop_

save_


    ########################################
    #  Heteronuclear T1 relaxation values  #
    ########################################

save_heteronuclear_R1_list_1
   _Heteronucl_T1_list.Sf_category                   heteronucl_T1_relaxation
   _Heteronucl_T1_list.Sf_framecode                  heteronuclear_R1_list_1
   _Heteronucl_T1_list.Entry_ID                      17226
   _Heteronucl_T1_list.ID                            1
   _Heteronucl_T1_list.Sample_condition_list_ID      1
   _Heteronucl_T1_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T1_list.Spectrometer_frequency_1H     500
   _Heteronucl_T1_list.T1_coherence_type             Nz
   _Heteronucl_T1_list.T1_val_units                  s-1
   _Heteronucl_T1_list.Details                       .
   _Heteronucl_T1_list.Text_data_format              .
   _Heteronucl_T1_list.Text_data                     .

   loop_
      _Heteronucl_T1_experiment.Experiment_ID
      _Heteronucl_T1_experiment.Experiment_name
      _Heteronucl_T1_experiment.Sample_ID
      _Heteronucl_T1_experiment.Sample_label
      _Heteronucl_T1_experiment.Sample_state
      _Heteronucl_T1_experiment.Entry_ID
      _Heteronucl_T1_experiment.Heteronucl_T1_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 1 

   stop_

   loop_
      _Heteronucl_T1_software.Software_ID
      _Heteronucl_T1_software.Software_label
      _Heteronucl_T1_software.Method_ID
      _Heteronucl_T1_software.Method_label
      _Heteronucl_T1_software.Entry_ID
      _Heteronucl_T1_software.Heteronucl_T1_list_ID

      5 $relax . . 17226 1 

   stop_

   loop_
      _T1.ID
      _T1.Assembly_atom_ID
      _T1.Entity_assembly_ID
      _T1.Entity_ID
      _T1.Comp_index_ID
      _T1.Seq_ID
      _T1.Comp_ID
      _T1.Atom_ID
      _T1.Atom_type
      _T1.Atom_isotope_number
      _T1.Val
      _T1.Val_err
      _T1.Resonance_ID
      _T1.Auth_entity_assembly_ID
      _T1.Auth_seq_ID
      _T1.Auth_comp_ID
      _T1.Auth_atom_ID
      _T1.Entry_ID
      _T1.Heteronucl_T1_list_ID

        1 . 1 1   7   7 LEU H H 1 1.9623313442   0.095411078786251477  . .   7 LEU H 17226 1 
        2 . 1 1  11  11 GLU H H 1 1.86637540582  0.053152176876133779  . .  11 GLU H 17226 1 
        3 . 1 1  13  13 ILE H H 1 1.64832584757  0.022980879560627426  . .  13 ILE H 17226 1 
        4 . 1 1  14  14 SER H H 1 1.68865336717  0.035315426009404939  . .  14 SER H 17226 1 
        5 . 1 1  15  15 ILE H H 1 1.84353582274  0.045987831240965872  . .  15 ILE H 17226 1 
        6 . 1 1  16  16 TYR H H 1 1.7667343535   0.040335938432979321  . .  16 TYR H 17226 1 
        7 . 1 1  17  17 ASP H H 1 1.72270816727  0.030249244987156393  . .  17 ASP H 17226 1 
        8 . 1 1  19  19 ILE H H 1 1.67187048845  0.032438104947936794  . .  19 ILE H 17226 1 
        9 . 1 1  20  20 GLY H H 1 1.68026549782  0.027540269858911955  . .  20 GLY H 17226 1 
       10 . 1 1  21  21 GLY H H 1 1.70465389336  0.025032193048327111  . .  21 GLY H 17226 1 
       11 . 1 1  22  22 HIS H H 1 1.74120064618  0.031842341231162218  . .  22 HIS H 17226 1 
       12 . 1 1  23  23 GLU H H 1 1.53703059475  0.021638415144930277  . .  23 GLU H 17226 1 
       13 . 1 1  24  24 ALA H H 1 1.54026921769  0.014581233125659421  . .  24 ALA H 17226 1 
       14 . 1 1  25  25 ILE H H 1 1.57090608688  0.023363168721409967  . .  25 ILE H 17226 1 
       15 . 1 1  26  26 GLU H H 1 1.49908502848  0.025107793924949797  . .  26 GLU H 17226 1 
       16 . 1 1  28  28 VAL H H 1 1.53363244149  0.020017901597417037  . .  28 VAL H 17226 1 
       17 . 1 1  30  30 GLU H H 1 1.46795562044  0.018638904015841274  . .  30 GLU H 17226 1 
       18 . 1 1  31  31 ASP H H 1 1.4854510846   0.020738504820701033  . .  31 ASP H 17226 1 
       19 . 1 1  32  32 PHE H H 1 1.5419765752   0.023311025107579927  . .  32 PHE H 17226 1 
       20 . 1 1  33  33 TYR H H 1 1.56003442449  0.025974385374274298  . .  33 TYR H 17226 1 
       21 . 1 1  34  34 VAL H H 1 1.43250575626  0.019919564283509831  . .  34 VAL H 17226 1 
       22 . 1 1  35  35 ARG H H 1 1.52413422641  0.026629978745116027  . .  35 ARG H 17226 1 
       23 . 1 1  36  36 VAL H H 1 1.52325460145  0.023648549421514512  . .  36 VAL H 17226 1 
       24 . 1 1  37  37 LEU H H 1 1.52115354671  0.023471503123693605  . .  37 LEU H 17226 1 
       25 . 1 1  38  38 ALA H H 1 1.49369510434  0.020513276024774336  . .  38 ALA H 17226 1 
       26 . 1 1  39  39 ASP H H 1 1.6818720074   0.022587950829066381  . .  39 ASP H 17226 1 
       27 . 1 1  40  40 ASP H H 1 1.79236143042  0.02679464582992358   . .  40 ASP H 17226 1 
       28 . 1 1  41  41 GLN H H 1 1.54522217199  0.020832773825905253  . .  41 GLN H 17226 1 
       29 . 1 1  42  42 LEU H H 1 1.63890756734  0.02808382554469491   . .  42 LEU H 17226 1 
       30 . 1 1  43  43 SER H H 1 1.74614959837  0.021633849981682374  . .  43 SER H 17226 1 
       31 . 1 1  44  44 ALA H H 1 1.94308182458  0.02671927902068125   . .  44 ALA H 17226 1 
       32 . 1 1  45  45 PHE H H 1 1.71795298803  0.022204362709357151  . .  45 PHE H 17226 1 
       33 . 1 1  46  46 PHE H H 1 1.75344348942  0.032536467373516099  . .  46 PHE H 17226 1 
       34 . 1 1  47  47 SER H H 1 1.66885398987  0.016709447663360331  . .  47 SER H 17226 1 
       35 . 1 1  49  49 THR H H 1 1.75859255146  0.023581635618235938  . .  49 THR H 17226 1 
       36 . 1 1  51  51 MET H H 1 1.99733401481  0.10191429820204449   . .  51 MET H 17226 1 
       37 . 1 1  52  52 SER H H 1 1.75779950859  0.085098321438623864  . .  52 SER H 17226 1 
       38 . 1 1  53  53 ARG H H 1 1.62035168295  0.026760692308826117  . .  53 ARG H 17226 1 
       39 . 1 1  55  55 LYS H H 1 1.65909165185  0.031461086051502656  . .  55 LYS H 17226 1 
       40 . 1 1  56  56 GLY H H 1 1.54885584094  0.024598479292365413  . .  56 GLY H 17226 1 
       41 . 1 1  58  58 GLN H H 1 1.67331720758  0.025431760491924593  . .  58 GLN H 17226 1 
       42 . 1 1  59  59 VAL H H 1 1.58100600568  0.025231896638215519  . .  59 VAL H 17226 1 
       43 . 1 1  60  60 GLU H H 1 1.61049995956  0.022306614018909043  . .  60 GLU H 17226 1 
       44 . 1 1  61  61 PHE H H 1 1.65663484374  0.024474766808962805  . .  61 PHE H 17226 1 
       45 . 1 1  62  62 PHE H H 1 1.71967623107  0.027789591472045454  . .  62 PHE H 17226 1 
       46 . 1 1  63  63 ALA H H 1 1.65061923533  0.019059176035145609  . .  63 ALA H 17226 1 
       47 . 1 1  64  64 ALA H H 1 1.55309552692  0.018419033221923235  . .  64 ALA H 17226 1 
       48 . 1 1  66  66 LEU H H 1 1.66638908595  0.025905560890632295  . .  66 LEU H 17226 1 
       49 . 1 1  67  67 GLY H H 1 1.51965667527  0.024852860760508098  . .  67 GLY H 17226 1 
       50 . 1 1  68  68 GLY H H 1 1.4957485239   0.027367123613050756  . .  68 GLY H 17226 1 
       51 . 1 1  70  70 GLU H H 1 1.68828349612  0.024566378665946249  . .  70 GLU H 17226 1 
       52 . 1 1  72  72 TYR H H 1 1.52917125227  0.022589110827835001  . .  72 TYR H 17226 1 
       53 . 1 1  73  73 THR H H 1 1.86216107539  0.052946422275913375  . .  73 THR H 17226 1 
       54 . 1 1  75  75 ALA H H 1 1.74698789305  0.026279038190774859  . .  75 ALA H 17226 1 
       55 . 1 1  77  77 MET H H 1 1.61599695998  0.045316894827751177  . .  77 MET H 17226 1 
       56 . 1 1  78  78 LYS H H 1 1.62485699872  0.043910412500686412  . .  78 LYS H 17226 1 
       57 . 1 1  79  79 GLN H H 1 1.39109495639  0.015705521380429407  . .  79 GLN H 17226 1 
       58 . 1 1  80  80 VAL H H 1 1.47397576235  0.022151087141550705  . .  80 VAL H 17226 1 
       59 . 1 1  81  81 HIS H H 1 1.66968871088  0.041719545780170418  . .  81 HIS H 17226 1 
       60 . 1 1  82  82 GLN H H 1 1.55903770774  0.01687364211130335   . .  82 GLN H 17226 1 
       61 . 1 1  83  83 GLY H H 1 1.50614056491  0.025313679671945942  . .  83 GLY H 17226 1 
       62 . 1 1  84  84 ARG H H 1 1.92754970864  0.048022058939656991  . .  84 ARG H 17226 1 
       63 . 1 1  85  85 GLY H H 1 1.71727292293  0.025954316227856326  . .  85 GLY H 17226 1 
       64 . 1 1  86  86 ILE H H 1 1.66976209888  0.039453122574923394  . .  86 ILE H 17226 1 
       65 . 1 1  87  87 THR H H 1 1.54716735762  0.024185033163075291  . .  87 THR H 17226 1 
       66 . 1 1  90  90 HIS H H 1 1.59542184582  0.028268734074947805  . .  90 HIS H 17226 1 
       67 . 1 1  91  91 PHE H H 1 1.50585787276  0.018113301868959774  . .  91 PHE H 17226 1 
       68 . 1 1  92  92 SER H H 1 1.56900750763  0.024826968439582285  . .  92 SER H 17226 1 
       69 . 1 1  93  93 LEU H H 1 1.56538261213  0.02613850984746436   . .  93 LEU H 17226 1 
       70 . 1 1  94  94 VAL H H 1 1.54423368821  0.018779496478541102  . .  94 VAL H 17226 1 
       71 . 1 1  95  95 ALA H H 1 1.48410222091  0.021318206884296392  . .  95 ALA H 17226 1 
       72 . 1 1  96  96 GLY H H 1 1.53394760158  0.018657493675632429  . .  96 GLY H 17226 1 
       73 . 1 1  97  97 HIS H H 1 1.61053673226  0.022935732791359038  . .  97 HIS H 17226 1 
       74 . 1 1  98  98 LEU H H 1 1.49293104576  0.016140011733800048  . .  98 LEU H 17226 1 
       75 . 1 1  99  99 ALA H H 1 1.48868744234  0.01897089634563557   . .  99 ALA H 17226 1 
       76 . 1 1 100 100 ASP H H 1 1.61231411565  0.020280944831389765  . . 100 ASP H 17226 1 
       77 . 1 1 101 101 ALA H H 1 1.49472954936  0.024874329359595999  . . 101 ALA H 17226 1 
       78 . 1 1 102 102 LEU H H 1 1.52138679362  0.026063039106561017  . . 102 LEU H 17226 1 
       79 . 1 1 103 103 THR H H 1 1.57267845755  0.018639110067352038  . . 103 THR H 17226 1 
       80 . 1 1 104 104 ALA H H 1 1.54187281671  0.016945949738244127  . . 104 ALA H 17226 1 
       81 . 1 1 105 105 ALA H H 1 1.47688286864  0.018634024379923318  . . 105 ALA H 17226 1 
       82 . 1 1 106 106 GLY H H 1 1.69230301803  0.033128336689034851  . . 106 GLY H 17226 1 
       83 . 1 1 112 112 ILE H H 1 1.59102720564  0.017964808683314688  . . 112 ILE H 17226 1 
       84 . 1 1 114 114 GLU H H 1 1.55933435853  0.017242375483362739  . . 114 GLU H 17226 1 
       85 . 1 1 115 115 ILE H H 1 1.63749864361  0.022262781325663606  . . 115 ILE H 17226 1 
       86 . 1 1 116 116 LEU H H 1 1.67987323939  0.026527926629486907  . . 116 LEU H 17226 1 
       87 . 1 1 117 117 GLY H H 1 1.49395090218  0.01861589924317196   . . 117 GLY H 17226 1 
       88 . 1 1 118 118 VAL H H 1 1.57757608141  0.019723353256916702  . . 118 VAL H 17226 1 
       89 . 1 1 119 119 ILE H H 1 1.59590266028  0.029211788308778672  . . 119 ILE H 17226 1 
       90 . 1 1 120 120 ALA H H 1 1.49917446945  0.018964602712330095  . . 120 ALA H 17226 1 
       91 . 1 1 122 122 LEU H H 1 1.51540204901  0.019302537728502153  . . 122 LEU H 17226 1 
       92 . 1 1 123 123 ALA H H 1 1.56083884028  0.015331587259752916  . . 123 ALA H 17226 1 
       93 . 1 1 124 124 VAL H H 1 1.41665488519  0.016069839941059726  . . 124 VAL H 17226 1 
       94 . 1 1 125 125 ASP H H 1 1.42173897943  0.017468369952076696  . . 125 ASP H 17226 1 
       95 . 1 1 126 126 VAL H H 1 1.55765846676  0.030012371415511777  . . 126 VAL H 17226 1 
       96 . 1 1 127 127 THR H H 1 1.54829823435  0.027522014117129671  . . 127 THR H 17226 1 
       97 . 1 1 129 129 GLY H H 1 2.05032337504  0.12647412341315914   . . 129 GLY H 17226 1 
       98 . 1 1 130 130 GLU H H 1 1.94621110122  0.042181162814579336  . . 130 GLU H 17226 1 
       99 . 1 1 133 133 THR H H 1 1.53242105474  0.095782703700589111  . . 133 THR H 17226 1 
      100 . 1 1 134 134 ALA H H 1 1.33682708138  0.015057834362757224  . . 134 ALA H 17226 1 
      101 . 1 1 136 136 VAL H H 1 0.824714736132 0.0020089996432823532 . . 136 VAL H 17226 1 

   stop_

save_


save_heteronuclear_R1_list_2
   _Heteronucl_T1_list.Sf_category                   heteronucl_T1_relaxation
   _Heteronucl_T1_list.Sf_framecode                  heteronuclear_R1_list_2
   _Heteronucl_T1_list.Entry_ID                      17226
   _Heteronucl_T1_list.ID                            2
   _Heteronucl_T1_list.Sample_condition_list_ID      1
   _Heteronucl_T1_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T1_list.Spectrometer_frequency_1H     600
   _Heteronucl_T1_list.T1_coherence_type             Nz
   _Heteronucl_T1_list.T1_val_units                  s-1
   _Heteronucl_T1_list.Details                       .
   _Heteronucl_T1_list.Text_data_format              .
   _Heteronucl_T1_list.Text_data                     .

   loop_
      _Heteronucl_T1_experiment.Experiment_ID
      _Heteronucl_T1_experiment.Experiment_name
      _Heteronucl_T1_experiment.Sample_ID
      _Heteronucl_T1_experiment.Sample_label
      _Heteronucl_T1_experiment.Sample_state
      _Heteronucl_T1_experiment.Entry_ID
      _Heteronucl_T1_experiment.Heteronucl_T1_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 2 

   stop_

   loop_
      _Heteronucl_T1_software.Software_ID
      _Heteronucl_T1_software.Software_label
      _Heteronucl_T1_software.Method_ID
      _Heteronucl_T1_software.Method_label
      _Heteronucl_T1_software.Entry_ID
      _Heteronucl_T1_software.Heteronucl_T1_list_ID

      5 $relax . . 17226 2 

   stop_

   loop_
      _T1.ID
      _T1.Assembly_atom_ID
      _T1.Entity_assembly_ID
      _T1.Entity_ID
      _T1.Comp_index_ID
      _T1.Seq_ID
      _T1.Comp_ID
      _T1.Atom_ID
      _T1.Atom_type
      _T1.Atom_isotope_number
      _T1.Val
      _T1.Val_err
      _T1.Resonance_ID
      _T1.Auth_entity_assembly_ID
      _T1.Auth_seq_ID
      _T1.Auth_comp_ID
      _T1.Auth_atom_ID
      _T1.Entry_ID
      _T1.Heteronucl_T1_list_ID

        1 . 1 1   7   7 LEU H H 1 1.47404218462  0.043369072234228208  . .   7 LEU H 17226 2 
        2 . 1 1  11  11 GLU H H 1 1.38698572025  0.025079829718378379  . .  11 GLU H 17226 2 
        3 . 1 1  13  13 ILE H H 1 1.30765135561  0.016310392339518403  . .  13 ILE H 17226 2 
        4 . 1 1  14  14 SER H H 1 1.34638740728  0.024442653323508458  . .  14 SER H 17226 2 
        5 . 1 1  15  15 ILE H H 1 1.37046484355  0.029184893232527074  . .  15 ILE H 17226 2 
        6 . 1 1  16  16 TYR H H 1 1.28566289286  0.025428148730533368  . .  16 TYR H 17226 2 
        7 . 1 1  17  17 ASP H H 1 1.34344613928  0.01972967421035143   . .  17 ASP H 17226 2 
        8 . 1 1  19  19 ILE H H 1 1.25065383787  0.020564574512502012  . .  19 ILE H 17226 2 
        9 . 1 1  20  20 GLY H H 1 1.24925001378  0.01443507920142178   . .  20 GLY H 17226 2 
       10 . 1 1  21  21 GLY H H 1 1.34215109745  0.016053386170515802  . .  21 GLY H 17226 2 
       11 . 1 1  22  22 HIS H H 1 1.32449022163  0.019908869953752451  . .  22 HIS H 17226 2 
       12 . 1 1  23  23 GLU H H 1 1.16346694465  0.012361413948944348  . .  23 GLU H 17226 2 
       13 . 1 1  24  24 ALA H H 1 1.20316176295  0.0099591047146862857 . .  24 ALA H 17226 2 
       14 . 1 1  25  25 ILE H H 1 1.17822282493  0.016238248817584587  . .  25 ILE H 17226 2 
       15 . 1 1  26  26 GLU H H 1 1.19407631314  0.018594960896238022  . .  26 GLU H 17226 2 
       16 . 1 1  28  28 VAL H H 1 1.19869833512  0.015483814429142683  . .  28 VAL H 17226 2 
       17 . 1 1  30  30 GLU H H 1 1.0954047716   0.012104130166721868  . .  30 GLU H 17226 2 
       18 . 1 1  31  31 ASP H H 1 1.1370102427   0.014356232599003609  . .  31 ASP H 17226 2 
       19 . 1 1  32  32 PHE H H 1 1.22581302974  0.014647331574251521  . .  32 PHE H 17226 2 
       20 . 1 1  33  33 TYR H H 1 1.17828658457  0.014864481527513219  . .  33 TYR H 17226 2 
       21 . 1 1  34  34 VAL H H 1 1.07754095898  0.012898066370616626  . .  34 VAL H 17226 2 
       22 . 1 1  35  35 ARG H H 1 1.13457122497  0.018427408842494213  . .  35 ARG H 17226 2 
       23 . 1 1  36  36 VAL H H 1 1.15532494304  0.01485341669733577   . .  36 VAL H 17226 2 
       24 . 1 1  37  37 LEU H H 1 1.17212578628  0.015527671807469442  . .  37 LEU H 17226 2 
       25 . 1 1  38  38 ALA H H 1 1.12822316336  0.011792241316308537  . .  38 ALA H 17226 2 
       26 . 1 1  39  39 ASP H H 1 1.25832501803  0.013411962251605005  . .  39 ASP H 17226 2 
       27 . 1 1  40  40 ASP H H 1 1.29545999179  0.014637864952115654  . .  40 ASP H 17226 2 
       28 . 1 1  41  41 GLN H H 1 1.1465403574   0.011506497341134469  . .  41 GLN H 17226 2 
       29 . 1 1  42  42 LEU H H 1 1.26132361204  0.018287318300801849  . .  42 LEU H 17226 2 
       30 . 1 1  43  43 SER H H 1 1.23022487787  0.014188285103110779  . .  43 SER H 17226 2 
       31 . 1 1  44  44 ALA H H 1 1.44158405831  0.01391628765024863   . .  44 ALA H 17226 2 
       32 . 1 1  45  45 PHE H H 1 1.310317282    0.013291951581125262  . .  45 PHE H 17226 2 
       33 . 1 1  46  46 PHE H H 1 1.28839956798  0.018810449318298388  . .  46 PHE H 17226 2 
       34 . 1 1  47  47 SER H H 1 1.25333594581  0.0086414726935677196 . .  47 SER H 17226 2 
       35 . 1 1  49  49 THR H H 1 1.28353922826  0.012030083489551089  . .  49 THR H 17226 2 
       36 . 1 1  51  51 MET H H 1 1.29824827405  0.040293827807308037  . .  51 MET H 17226 2 
       37 . 1 1  52  52 SER H H 1 1.23059358909  0.03345773237743576   . .  52 SER H 17226 2 
       38 . 1 1  53  53 ARG H H 1 1.16588501714  0.013748038143752545  . .  53 ARG H 17226 2 
       39 . 1 1  55  55 LYS H H 1 1.27145899546  0.017658473620958848  . .  55 LYS H 17226 2 
       40 . 1 1  56  56 GLY H H 1 1.18218594135  0.015858699444914432  . .  56 GLY H 17226 2 
       41 . 1 1  58  58 GLN H H 1 1.33779401449  0.017690383102306015  . .  58 GLN H 17226 2 
       42 . 1 1  59  59 VAL H H 1 1.22894181757  0.016236005780137865  . .  59 VAL H 17226 2 
       43 . 1 1  60  60 GLU H H 1 1.15129706061  0.013023835168319066  . .  60 GLU H 17226 2 
       44 . 1 1  61  61 PHE H H 1 1.2668631249   0.014999066514046706  . .  61 PHE H 17226 2 
       45 . 1 1  62  62 PHE H H 1 1.31352688338  0.016865596733209021  . .  62 PHE H 17226 2 
       46 . 1 1  63  63 ALA H H 1 1.24323560858  0.011598657617277505  . .  63 ALA H 17226 2 
       47 . 1 1  64  64 ALA H H 1 1.19333026239  0.01119407420560211   . .  64 ALA H 17226 2 
       48 . 1 1  66  66 LEU H H 1 1.26320533158  0.018525982434699544  . .  66 LEU H 17226 2 
       49 . 1 1  67  67 GLY H H 1 1.1421376829   0.016708078229124578  . .  67 GLY H 17226 2 
       50 . 1 1  68  68 GLY H H 1 1.18819328778  0.017310031204729452  . .  68 GLY H 17226 2 
       51 . 1 1  70  70 GLU H H 1 1.32279741614  0.016742660185412716  . .  70 GLU H 17226 2 
       52 . 1 1  72  72 TYR H H 1 1.17850079438  0.014340662149372957  . .  72 TYR H 17226 2 
       53 . 1 1  73  73 THR H H 1 1.34294015564  0.026606738776896083  . .  73 THR H 17226 2 
       54 . 1 1  75  75 ALA H H 1 1.30569351539  0.017314642552529236  . .  75 ALA H 17226 2 
       55 . 1 1  77  77 MET H H 1 1.3063782264   0.027118809221943353  . .  77 MET H 17226 2 
       56 . 1 1  78  78 LYS H H 1 1.2855535969   0.02821190510891914   . .  78 LYS H 17226 2 
       57 . 1 1  79  79 GLN H H 1 1.08258976408  0.010884286677738888  . .  79 GLN H 17226 2 
       58 . 1 1  80  80 VAL H H 1 1.15876794496  0.014761479224407381  . .  80 VAL H 17226 2 
       59 . 1 1  81  81 HIS H H 1 1.28634892289  0.033076835576853363  . .  81 HIS H 17226 2 
       60 . 1 1  82  82 GLN H H 1 1.16352040774  0.011087077654907015  . .  82 GLN H 17226 2 
       61 . 1 1  83  83 GLY H H 1 1.13147815166  0.014141942234923635  . .  83 GLY H 17226 2 
       62 . 1 1  84  84 ARG H H 1 1.42413756144  0.023356513310871147  . .  84 ARG H 17226 2 
       63 . 1 1  85  85 GLY H H 1 1.34247003419  0.016879243413024117  . .  85 GLY H 17226 2 
       64 . 1 1  86  86 ILE H H 1 1.26224147811  0.026307826180761565  . .  86 ILE H 17226 2 
       65 . 1 1  87  87 THR H H 1 1.12893364694  0.013044013760273003  . .  87 THR H 17226 2 
       66 . 1 1  90  90 HIS H H 1 1.14056720721  0.016978789756743089  . .  90 HIS H 17226 2 
       67 . 1 1  91  91 PHE H H 1 1.10369413159  0.011510416452936332  . .  91 PHE H 17226 2 
       68 . 1 1  92  92 SER H H 1 1.1003422073   0.015860931994653087  . .  92 SER H 17226 2 
       69 . 1 1  93  93 LEU H H 1 1.209821887    0.015525360766632792  . .  93 LEU H 17226 2 
       70 . 1 1  94  94 VAL H H 1 1.16929370856  0.012535933189302989  . .  94 VAL H 17226 2 
       71 . 1 1  95  95 ALA H H 1 1.16066626334  0.013139466268574066  . .  95 ALA H 17226 2 
       72 . 1 1  96  96 GLY H H 1 1.10681437365  0.012233909430904914  . .  96 GLY H 17226 2 
       73 . 1 1  97  97 HIS H H 1 1.2015994485   0.015318740192988661  . .  97 HIS H 17226 2 
       74 . 1 1  98  98 LEU H H 1 1.09598144067  0.0099396477027260885 . .  98 LEU H 17226 2 
       75 . 1 1  99  99 ALA H H 1 1.16429934368  0.010882133221678242  . .  99 ALA H 17226 2 
       76 . 1 1 100 100 ASP H H 1 1.22390762368  0.012061793937724287  . . 100 ASP H 17226 2 
       77 . 1 1 101 101 ALA H H 1 1.1559043317   0.016667396315592872  . . 101 ALA H 17226 2 
       78 . 1 1 102 102 LEU H H 1 1.11025797051  0.012527584731263768  . . 102 LEU H 17226 2 
       79 . 1 1 103 103 THR H H 1 1.16484619407  0.010542123889335821  . . 103 THR H 17226 2 
       80 . 1 1 104 104 ALA H H 1 1.17240772351  0.010330402293612715  . . 104 ALA H 17226 2 
       81 . 1 1 105 105 ALA H H 1 1.10551461967  0.014014602260996682  . . 105 ALA H 17226 2 
       82 . 1 1 106 106 GLY H H 1 1.2371922363   0.020825757078190101  . . 106 GLY H 17226 2 
       83 . 1 1 112 112 ILE H H 1 1.17775847359  0.010506093073910448  . . 112 ILE H 17226 2 
       84 . 1 1 114 114 GLU H H 1 1.24858032142  0.011810469770326943  . . 114 GLU H 17226 2 
       85 . 1 1 115 115 ILE H H 1 1.33263542321  0.017405442466277087  . . 115 ILE H 17226 2 
       86 . 1 1 116 116 LEU H H 1 1.28220590814  0.014609704846437109  . . 116 LEU H 17226 2 
       87 . 1 1 117 117 GLY H H 1 1.13107592263  0.012805123154410835  . . 117 GLY H 17226 2 
       88 . 1 1 118 118 VAL H H 1 1.30280336355  0.014405352289031047  . . 118 VAL H 17226 2 
       89 . 1 1 119 119 ILE H H 1 1.2478742638   0.020210745296601912  . . 119 ILE H 17226 2 
       90 . 1 1 120 120 ALA H H 1 1.20104627283  0.013171900897967674  . . 120 ALA H 17226 2 
       91 . 1 1 122 122 LEU H H 1 1.23127026108  0.014040883243394444  . . 122 LEU H 17226 2 
       92 . 1 1 123 123 ALA H H 1 1.221028629    0.011023249592352492  . . 123 ALA H 17226 2 
       93 . 1 1 124 124 VAL H H 1 1.0546877171   0.009918004713974948  . . 124 VAL H 17226 2 
       94 . 1 1 125 125 ASP H H 1 1.07399584997  0.011281363135056897  . . 125 ASP H 17226 2 
       95 . 1 1 126 126 VAL H H 1 1.21704332461  0.019113257608473554  . . 126 VAL H 17226 2 
       96 . 1 1 127 127 THR H H 1 1.17805633358  0.017466403924666356  . . 127 THR H 17226 2 
       97 . 1 1 129 129 GLY H H 1 1.51324522596  0.047043725540291376  . . 129 GLY H 17226 2 
       98 . 1 1 130 130 GLU H H 1 1.56253310693  0.017140704758848466  . . 130 GLU H 17226 2 
       99 . 1 1 133 133 THR H H 1 1.20149009927  0.03863861762721179   . . 133 THR H 17226 2 
      100 . 1 1 134 134 ALA H H 1 1.16578388791  0.006439482144543489  . . 134 ALA H 17226 2 
      101 . 1 1 136 136 VAL H H 1 0.752783677952 0.0018923980087289126 . . 136 VAL H 17226 2 

   stop_

save_


save_heteronuclear_R1_list_3
   _Heteronucl_T1_list.Sf_category                   heteronucl_T1_relaxation
   _Heteronucl_T1_list.Sf_framecode                  heteronuclear_R1_list_3
   _Heteronucl_T1_list.Entry_ID                      17226
   _Heteronucl_T1_list.ID                            3
   _Heteronucl_T1_list.Sample_condition_list_ID      1
   _Heteronucl_T1_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T1_list.Spectrometer_frequency_1H     800
   _Heteronucl_T1_list.T1_coherence_type             Nz
   _Heteronucl_T1_list.T1_val_units                  s-1
   _Heteronucl_T1_list.Details                       .
   _Heteronucl_T1_list.Text_data_format              .
   _Heteronucl_T1_list.Text_data                     .

   loop_
      _Heteronucl_T1_experiment.Experiment_ID
      _Heteronucl_T1_experiment.Experiment_name
      _Heteronucl_T1_experiment.Sample_ID
      _Heteronucl_T1_experiment.Sample_label
      _Heteronucl_T1_experiment.Sample_state
      _Heteronucl_T1_experiment.Entry_ID
      _Heteronucl_T1_experiment.Heteronucl_T1_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 3 

   stop_

   loop_
      _Heteronucl_T1_software.Software_ID
      _Heteronucl_T1_software.Software_label
      _Heteronucl_T1_software.Method_ID
      _Heteronucl_T1_software.Method_label
      _Heteronucl_T1_software.Entry_ID
      _Heteronucl_T1_software.Heteronucl_T1_list_ID

      5 $relax . . 17226 3 

   stop_

   loop_
      _T1.ID
      _T1.Assembly_atom_ID
      _T1.Entity_assembly_ID
      _T1.Entity_ID
      _T1.Comp_index_ID
      _T1.Seq_ID
      _T1.Comp_ID
      _T1.Atom_ID
      _T1.Atom_type
      _T1.Atom_isotope_number
      _T1.Val
      _T1.Val_err
      _T1.Resonance_ID
      _T1.Auth_entity_assembly_ID
      _T1.Auth_seq_ID
      _T1.Auth_comp_ID
      _T1.Auth_atom_ID
      _T1.Entry_ID
      _T1.Heteronucl_T1_list_ID

        1 . 1 1   7   7 LEU H H 1 1.52240253449  0.14827023459400476   . .   7 LEU H 17226 3 
        2 . 1 1  11  11 GLU H H 1 1.18751664048  0.06467274243962319   . .  11 GLU H 17226 3 
        3 . 1 1  13  13 ILE H H 1 1.085670272    0.034172925537258002  . .  13 ILE H 17226 3 
        4 . 1 1  14  14 SER H H 1 1.02544816942  0.057442199486449755  . .  14 SER H 17226 3 
        5 . 1 1  15  15 ILE H H 1 1.00505561036  0.06300748529846617   . .  15 ILE H 17226 3 
        6 . 1 1  16  16 TYR H H 1 0.9717706169   0.052400251998695552  . .  16 TYR H 17226 3 
        7 . 1 1  17  17 ASP H H 1 0.975123458597 0.03862010204221393   . .  17 ASP H 17226 3 
        8 . 1 1  19  19 ILE H H 1 0.928020488677 0.040696602950182063  . .  19 ILE H 17226 3 
        9 . 1 1  20  20 GLY H H 1 0.964391790759 0.03654139333644351   . .  20 GLY H 17226 3 
       10 . 1 1  21  21 GLY H H 1 1.03290466739  0.036335874710459043  . .  21 GLY H 17226 3 
       11 . 1 1  22  22 HIS H H 1 0.962111685515 0.044673669677310422  . .  22 HIS H 17226 3 
       12 . 1 1  23  23 GLU H H 1 0.940934312874 0.033927674087451377  . .  23 GLU H 17226 3 
       13 . 1 1  24  24 ALA H H 1 0.886096373258 0.021369318525918859  . .  24 ALA H 17226 3 
       14 . 1 1  25  25 ILE H H 1 0.817753538787 0.03627884433744262   . .  25 ILE H 17226 3 
       15 . 1 1  26  26 GLU H H 1 0.81829989584  0.050712831111492274  . .  26 GLU H 17226 3 
       16 . 1 1  28  28 VAL H H 1 0.890382375066 0.033349599860751457  . .  28 VAL H 17226 3 
       17 . 1 1  30  30 GLU H H 1 0.822209574167 0.028488103534483913  . .  30 GLU H 17226 3 
       18 . 1 1  31  31 ASP H H 1 0.861907098111 0.029447314384314006  . .  31 ASP H 17226 3 
       19 . 1 1  32  32 PHE H H 1 0.8556039756   0.027071943370525674  . .  32 PHE H 17226 3 
       20 . 1 1  33  33 TYR H H 1 0.859098998975 0.032971960698996827  . .  33 TYR H 17226 3 
       21 . 1 1  34  34 VAL H H 1 0.813092954591 0.028435273271954751  . .  34 VAL H 17226 3 
       22 . 1 1  35  35 ARG H H 1 0.885211529891 0.042488096308602993  . .  35 ARG H 17226 3 
       23 . 1 1  36  36 VAL H H 1 0.824372120367 0.034808361111172512  . .  36 VAL H 17226 3 
       24 . 1 1  37  37 LEU H H 1 0.822503953748 0.034556595928064059  . .  37 LEU H 17226 3 
       25 . 1 1  38  38 ALA H H 1 0.834182718579 0.028137895211349524  . .  38 ALA H 17226 3 
       26 . 1 1  39  39 ASP H H 1 0.939898912694 0.026054532184482896  . .  39 ASP H 17226 3 
       27 . 1 1  40  40 ASP H H 1 1.0350398205   0.037252698342646065  . .  40 ASP H 17226 3 
       28 . 1 1  41  41 GLN H H 1 0.862337287009 0.026802989616532467  . .  41 GLN H 17226 3 
       29 . 1 1  42  42 LEU H H 1 0.906729693442 0.036540916034123468  . .  42 LEU H 17226 3 
       30 . 1 1  43  43 SER H H 1 0.97362703383  0.027189937425259422  . .  43 SER H 17226 3 
       31 . 1 1  44  44 ALA H H 1 1.09516233483  0.034980047076063399  . .  44 ALA H 17226 3 
       32 . 1 1  45  45 PHE H H 1 0.956924290563 0.028896987928710961  . .  45 PHE H 17226 3 
       33 . 1 1  46  46 PHE H H 1 0.942063128841 0.037364262139741831  . .  46 PHE H 17226 3 
       34 . 1 1  47  47 SER H H 1 0.93210690512  0.018235204087518407  . .  47 SER H 17226 3 
       35 . 1 1  49  49 THR H H 1 0.972379383703 0.024692240037490976  . .  49 THR H 17226 3 
       36 . 1 1  51  51 MET H H 1 0.934117910053 0.10122914672845706   . .  51 MET H 17226 3 
       37 . 1 1  52  52 SER H H 1 0.883439750564 0.081880771886404316  . .  52 SER H 17226 3 
       38 . 1 1  53  53 ARG H H 1 0.903520379698 0.035168740661905347  . .  53 ARG H 17226 3 
       39 . 1 1  55  55 LYS H H 1 0.911372445318 0.03782317408097173   . .  55 LYS H 17226 3 
       40 . 1 1  56  56 GLY H H 1 0.84582143362  0.032725441763271697  . .  56 GLY H 17226 3 
       41 . 1 1  58  58 GLN H H 1 0.977058937015 0.043468269424834775  . .  58 GLN H 17226 3 
       42 . 1 1  59  59 VAL H H 1 0.910469137438 0.036662535410344602  . .  59 VAL H 17226 3 
       43 . 1 1  60  60 GLU H H 1 0.894733420046 0.029317275209094187  . .  60 GLU H 17226 3 
       44 . 1 1  61  61 PHE H H 1 0.913113472172 0.034323676986170844  . .  61 PHE H 17226 3 
       45 . 1 1  62  62 PHE H H 1 0.977422876559 0.037072023799982493  . .  62 PHE H 17226 3 
       46 . 1 1  63  63 ALA H H 1 0.919777932588 0.030474806659820688  . .  63 ALA H 17226 3 
       47 . 1 1  64  64 ALA H H 1 0.884591086123 0.026038505281178858  . .  64 ALA H 17226 3 
       48 . 1 1  66  66 LEU H H 1 0.929888740798 0.035236682661905203  . .  66 LEU H 17226 3 
       49 . 1 1  67  67 GLY H H 1 0.861166265268 0.03600996815477684   . .  67 GLY H 17226 3 
       50 . 1 1  68  68 GLY H H 1 0.854988178304 0.037215005830647824  . .  68 GLY H 17226 3 
       51 . 1 1  70  70 GLU H H 1 0.958921875503 0.037624119855285465  . .  70 GLU H 17226 3 
       52 . 1 1  72  72 TYR H H 1 0.893315015286 0.027925856630042732  . .  72 TYR H 17226 3 
       53 . 1 1  73  73 THR H H 1 1.07138357583  0.080009921197391282  . .  73 THR H 17226 3 
       54 . 1 1  75  75 ALA H H 1 1.0338510067   0.046104710396112199  . .  75 ALA H 17226 3 
       55 . 1 1  77  77 MET H H 1 0.979994517313 0.06410750296366069   . .  77 MET H 17226 3 
       56 . 1 1  78  78 LYS H H 1 0.901065833051 0.066097859827451505  . .  78 LYS H 17226 3 
       57 . 1 1  79  79 GLN H H 1 0.856664114303 0.02422491417703429   . .  79 GLN H 17226 3 
       58 . 1 1  80  80 VAL H H 1 0.858246749734 0.034652917667522876  . .  80 VAL H 17226 3 
       59 . 1 1  81  81 HIS H H 1 0.993220552473 0.12105827054577921   . .  81 HIS H 17226 3 
       60 . 1 1  82  82 GLN H H 1 0.903694382845 0.026247743788017631  . .  82 GLN H 17226 3 
       61 . 1 1  83  83 GLY H H 1 0.880894520883 0.03082804493802271   . .  83 GLY H 17226 3 
       62 . 1 1  84  84 ARG H H 1 1.06270057672  0.055321014392877017  . .  84 ARG H 17226 3 
       63 . 1 1  85  85 GLY H H 1 0.977074039114 0.034530055186480169  . .  85 GLY H 17226 3 
       64 . 1 1  86  86 ILE H H 1 0.973628814374 0.064167362392450994  . .  86 ILE H 17226 3 
       65 . 1 1  87  87 THR H H 1 0.861957915097 0.026023524829182878  . .  87 THR H 17226 3 
       66 . 1 1  90  90 HIS H H 1 0.868408968312 0.035519794021526607  . .  90 HIS H 17226 3 
       67 . 1 1  91  91 PHE H H 1 0.823882054047 0.023098530030991486  . .  91 PHE H 17226 3 
       68 . 1 1  92  92 SER H H 1 0.852843505128 0.036220472081317394  . .  92 SER H 17226 3 
       69 . 1 1  93  93 LEU H H 1 0.783606983728 0.033289387828274987  . .  93 LEU H 17226 3 
       70 . 1 1  94  94 VAL H H 1 0.862817327087 0.02411138307765218   . .  94 VAL H 17226 3 
       71 . 1 1  95  95 ALA H H 1 0.836501951423 0.027784410772134192  . .  95 ALA H 17226 3 
       72 . 1 1  96  96 GLY H H 1 0.862254707166 0.02541151823730689   . .  96 GLY H 17226 3 
       73 . 1 1  97  97 HIS H H 1 0.868803968668 0.033267722727296313  . .  97 HIS H 17226 3 
       74 . 1 1  98  98 LEU H H 1 0.85447027886  0.02022234308975825   . .  98 LEU H 17226 3 
       75 . 1 1  99  99 ALA H H 1 0.84109030188  0.026896629688081243  . .  99 ALA H 17226 3 
       76 . 1 1 100 100 ASP H H 1 0.923386629298 0.029204300122939408  . . 100 ASP H 17226 3 
       77 . 1 1 101 101 ALA H H 1 0.84950831135  0.036842835832155474  . . 101 ALA H 17226 3 
       78 . 1 1 102 102 LEU H H 1 0.836235760393 0.03380712343293573   . . 102 LEU H 17226 3 
       79 . 1 1 103 103 THR H H 1 0.896149858117 0.025124061212124366  . . 103 THR H 17226 3 
       80 . 1 1 104 104 ALA H H 1 0.866603523735 0.021940635859357828  . . 104 ALA H 17226 3 
       81 . 1 1 105 105 ALA H H 1 0.807829775325 0.031134389931026917  . . 105 ALA H 17226 3 
       82 . 1 1 106 106 GLY H H 1 0.910753092661 0.049964543034338012  . . 106 GLY H 17226 3 
       83 . 1 1 112 112 ILE H H 1 0.907176628321 0.024904707073973891  . . 112 ILE H 17226 3 
       84 . 1 1 114 114 GLU H H 1 0.882784952162 0.022938063602757946  . . 114 GLU H 17226 3 
       85 . 1 1 115 115 ILE H H 1 0.93246573338  0.035809201684276218  . . 115 ILE H 17226 3 
       86 . 1 1 116 116 LEU H H 1 0.926411013403 0.033172071416530349  . . 116 LEU H 17226 3 
       87 . 1 1 117 117 GLY H H 1 0.852420899599 0.027723666796248287  . . 117 GLY H 17226 3 
       88 . 1 1 118 118 VAL H H 1 0.935685037709 0.027005113215294051  . . 118 VAL H 17226 3 
       89 . 1 1 119 119 ILE H H 1 0.890961074072 0.043168224846953179  . . 119 ILE H 17226 3 
       90 . 1 1 120 120 ALA H H 1 0.818908312642 0.02951739991214905   . . 120 ALA H 17226 3 
       91 . 1 1 122 122 LEU H H 1 0.863468075588 0.027050624139521227  . . 122 LEU H 17226 3 
       92 . 1 1 123 123 ALA H H 1 0.852428392589 0.024864738712091803  . . 123 ALA H 17226 3 
       93 . 1 1 124 124 VAL H H 1 0.824547621934 0.024428463533773887  . . 124 VAL H 17226 3 
       94 . 1 1 125 125 ASP H H 1 0.835584363822 0.023694576943176646  . . 125 ASP H 17226 3 
       95 . 1 1 126 126 VAL H H 1 0.876597821084 0.042982893860534804  . . 126 VAL H 17226 3 
       96 . 1 1 127 127 THR H H 1 0.862157251838 0.033749850895821699  . . 127 THR H 17226 3 
       97 . 1 1 129 129 GLY H H 1 1.24326544958  0.12559571077239282   . . 129 GLY H 17226 3 
       98 . 1 1 130 130 GLU H H 1 1.36620010373  0.047850301970368637  . . 130 GLU H 17226 3 
       99 . 1 1 133 133 THR H H 1 1.25817427281  0.12079466092236643   . . 133 THR H 17226 3 
      100 . 1 1 134 134 ALA H H 1 1.25064026238  0.022276990185904219  . . 134 ALA H 17226 3 
      101 . 1 1 136 136 VAL H H 1 0.800081041558 0.0045088759149709574 . . 136 VAL H 17226 3 

   stop_

save_


    ########################################
    #  Heteronuclear T2 relaxation values  #
    ########################################

save_heteronuclear_R2_list_1
   _Heteronucl_T2_list.Sf_category                   heteronucl_T2_relaxation
   _Heteronucl_T2_list.Sf_framecode                  heteronuclear_R2_list_1
   _Heteronucl_T2_list.Entry_ID                      17226
   _Heteronucl_T2_list.ID                            1
   _Heteronucl_T2_list.Sample_condition_list_ID      1
   _Heteronucl_T2_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T2_list.Temp_calibration_method       methanol
   _Heteronucl_T2_list.Temp_control_method          'single scan interleaving'
   _Heteronucl_T2_list.Spectrometer_frequency_1H     500
   _Heteronucl_T2_list.T2_coherence_type             Nz
   _Heteronucl_T2_list.T2_val_units                  s-1
   _Heteronucl_T2_list.Rex_units                     .
   _Heteronucl_T2_list.Details                       .
   _Heteronucl_T2_list.Text_data_format              .
   _Heteronucl_T2_list.Text_data                     .

   loop_
      _Heteronucl_T2_experiment.Experiment_ID
      _Heteronucl_T2_experiment.Experiment_name
      _Heteronucl_T2_experiment.Sample_ID
      _Heteronucl_T2_experiment.Sample_label
      _Heteronucl_T2_experiment.Sample_state
      _Heteronucl_T2_experiment.Entry_ID
      _Heteronucl_T2_experiment.Heteronucl_T2_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 1 

   stop_

   loop_
      _Heteronucl_T2_software.Software_ID
      _Heteronucl_T2_software.Software_label
      _Heteronucl_T2_software.Method_ID
      _Heteronucl_T2_software.Method_label
      _Heteronucl_T2_software.Entry_ID
      _Heteronucl_T2_software.Heteronucl_T2_list_ID

      5 $relax . . 17226 1 

   stop_

   loop_
      _T2.ID
      _T2.Assembly_atom_ID
      _T2.Entity_assembly_ID
      _T2.Entity_ID
      _T2.Comp_index_ID
      _T2.Seq_ID
      _T2.Comp_ID
      _T2.Atom_ID
      _T2.Atom_type
      _T2.Atom_isotope_number
      _T2.T2_val
      _T2.T2_val_err
      _T2.Rex_val
      _T2.Rex_err
      _T2.Resonance_ID
      _T2.Auth_entity_assembly_ID
      _T2.Auth_seq_ID
      _T2.Auth_comp_ID
      _T2.Auth_atom_ID
      _T2.Entry_ID
      _T2.Heteronucl_T2_list_ID

        1 . 1 1   7   7 LEU H H 1  5.71891782683 0.18763393649066307   . . . 1   7 LEU HN 17226 1 
        2 . 1 1  11  11 GLU H H 1  7.08168689699 0.12140072665559765   . . . 1  11 GLU HN 17226 1 
        3 . 1 1  13  13 ILE H H 1  7.70770702122 0.062474987542050713  . . . 1  13 ILE HN 17226 1 
        4 . 1 1  14  14 SER H H 1 11.3883343476  0.13818794435495416   . . . 1  14 SER HN 17226 1 
        5 . 1 1  15  15 ILE H H 1 12.4615820793  0.18306900199634285   . . . 1  15 ILE HN 17226 1 
        6 . 1 1  16  16 TYR H H 1 12.6538756802  0.17260670715616727   . . . 1  16 TYR HN 17226 1 
        7 . 1 1  17  17 ASP H H 1 12.3476897088  0.13215251187451427   . . . 1  17 ASP HN 17226 1 
        8 . 1 1  19  19 ILE H H 1 12.3316913137  0.14259244716844552   . . . 1  19 ILE HN 17226 1 
        9 . 1 1  20  20 GLY H H 1 12.0119520824  0.11238025768753618   . . . 1  20 GLY HN 17226 1 
       10 . 1 1  21  21 GLY H H 1 11.4164737572  0.10224522731265492   . . . 1  21 GLY HN 17226 1 
       11 . 1 1  22  22 HIS H H 1 13.4758024822  0.14850390229343527   . . . 1  22 HIS HN 17226 1 
       12 . 1 1  23  23 GLU H H 1 14.0574563549  0.1128620859172874    . . . 1  23 GLU HN 17226 1 
       13 . 1 1  24  24 ALA H H 1 12.3689436375  0.071715737925472464  . . . 1  24 ALA HN 17226 1 
       14 . 1 1  25  25 ILE H H 1 13.2540256921  0.13211502843683989   . . . 1  25 ILE HN 17226 1 
       15 . 1 1  26  26 GLU H H 1 14.5628975824  0.15419522793888099   . . . 1  26 GLU HN 17226 1 
       16 . 1 1  28  28 VAL H H 1 12.7361644779  0.11857574496600573   . . . 1  28 VAL HN 17226 1 
       17 . 1 1  30  30 GLU H H 1 15.0433530916  0.12692692405332948   . . . 1  30 GLU HN 17226 1 
       18 . 1 1  31  31 ASP H H 1 14.5338191314  0.13273494638983166   . . . 1  31 ASP HN 17226 1 
       19 . 1 1  32  32 PHE H H 1 13.6281230879  0.12446318671017444   . . . 1  32 PHE HN 17226 1 
       20 . 1 1  33  33 TYR H H 1 14.136259348   0.13680903916620871   . . . 1  33 TYR HN 17226 1 
       21 . 1 1  34  34 VAL H H 1 14.4121303772  0.12800074110244825   . . . 1  34 VAL HN 17226 1 
       22 . 1 1  35  35 ARG H H 1 14.0087231841  0.16066607092491531   . . . 1  35 ARG HN 17226 1 
       23 . 1 1  36  36 VAL H H 1 13.9104008963  0.1520659867081903    . . . 1  36 VAL HN 17226 1 
       24 . 1 1  37  37 LEU H H 1 14.830281162   0.14974001776828935   . . . 1  37 LEU HN 17226 1 
       25 . 1 1  38  38 ALA H H 1 14.2553796851  0.11850571183545511   . . . 1  38 ALA HN 17226 1 
       26 . 1 1  39  39 ASP H H 1 11.6016246672  0.084758462954922564  . . . 1  39 ASP HN 17226 1 
       27 . 1 1  40  40 ASP H H 1 12.0139050413  0.10246886331530511   . . . 1  40 ASP HN 17226 1 
       28 . 1 1  41  41 GLN H H 1 13.6708511992  0.09944754386996156   . . . 1  41 GLN HN 17226 1 
       29 . 1 1  42  42 LEU H H 1 12.1806522642  0.14354262002742532   . . . 1  42 LEU HN 17226 1 
       30 . 1 1  43  43 SER H H 1 11.7572170159  0.077716317435597926  . . . 1  43 SER HN 17226 1 
       31 . 1 1  44  44 ALA H H 1 12.1148538251  0.091880384811287352  . . . 1  44 ALA HN 17226 1 
       32 . 1 1  45  45 PHE H H 1 11.9353319211  0.095049145204146493  . . . 1  45 PHE HN 17226 1 
       33 . 1 1  46  46 PHE H H 1 11.9529834557  0.12288825302876874   . . . 1  46 PHE HN 17226 1 
       34 . 1 1  47  47 SER H H 1 12.3020051226  0.064252255601216141  . . . 1  47 SER HN 17226 1 
       35 . 1 1  49  49 THR H H 1 11.4185242726  0.085636996212297256  . . . 1  49 THR HN 17226 1 
       36 . 1 1  51  51 MET H H 1 13.6527313774  0.38959590422716961   . . . 1  51 MET HN 17226 1 
       37 . 1 1  52  52 SER H H 1 13.489867456   0.32725995906385363   . . . 1  52 SER HN 17226 1 
       38 . 1 1  53  53 ARG H H 1 13.9882759888  0.13928798777461726   . . . 1  53 ARG HN 17226 1 
       39 . 1 1  55  55 LYS H H 1 12.7416702749  0.13913719389688883   . . . 1  55 LYS HN 17226 1 
       40 . 1 1  56  56 GLY H H 1 13.2169263073  0.13499027811285769   . . . 1  56 GLY HN 17226 1 
       41 . 1 1  58  58 GLN H H 1 12.301113333   0.12147134266627971   . . . 1  58 GLN HN 17226 1 
       42 . 1 1  59  59 VAL H H 1 12.6859041594  0.13569734362175695   . . . 1  59 VAL HN 17226 1 
       43 . 1 1  60  60 GLU H H 1 13.3949890054  0.12259986815881341   . . . 1  60 GLU HN 17226 1 
       44 . 1 1  61  61 PHE H H 1 13.1289303899  0.12596978554007066   . . . 1  61 PHE HN 17226 1 
       45 . 1 1  62  62 PHE H H 1 12.7626580436  0.13362582580732413   . . . 1  62 PHE HN 17226 1 
       46 . 1 1  63  63 ALA H H 1 13.244384873   0.10829481278900234   . . . 1  63 ALA HN 17226 1 
       47 . 1 1  64  64 ALA H H 1 13.5118685223  0.10280199837312297   . . . 1  64 ALA HN 17226 1 
       48 . 1 1  66  66 LEU H H 1 11.8191732479  0.11361719096538531   . . . 1  66 LEU HN 17226 1 
       49 . 1 1  67  67 GLY H H 1 14.2855210824  0.14222792714318      . . . 1  67 GLY HN 17226 1 
       50 . 1 1  68  68 GLY H H 1 14.130429268   0.15222346906441231   . . . 1  68 GLY HN 17226 1 
       51 . 1 1  70  70 GLU H H 1 10.9354874405  0.088196650137546642  . . . 1  70 GLU HN 17226 1 
       52 . 1 1  72  72 TYR H H 1 10.6086471558  0.083318341601907486  . . . 1  72 TYR HN 17226 1 
       53 . 1 1  73  73 THR H H 1 12.0306734422  0.19791906170633253   . . . 1  73 THR HN 17226 1 
       54 . 1 1  75  75 ALA H H 1 11.2440085718  0.10460150814984223   . . . 1  75 ALA HN 17226 1 
       55 . 1 1  77  77 MET H H 1 14.4653718471  0.24122115728022564   . . . 1  77 MET HN 17226 1 
       56 . 1 1  78  78 LYS H H 1 13.844523789   0.21664181792633858   . . . 1  78 LYS HN 17226 1 
       57 . 1 1  79  79 GLN H H 1 11.652009298   0.08484687461330935   . . . 1  79 GLN HN 17226 1 
       58 . 1 1  80  80 VAL H H 1 13.924952604   0.13636207195365133   . . . 1  80 VAL HN 17226 1 
       59 . 1 1  81  81 HIS H H 1 12.2796976658  0.21736915715912683   . . . 1  81 HIS HN 17226 1 
       60 . 1 1  82  82 GLN H H 1 12.0725333175  0.083971548485736056  . . . 1  82 GLN HN 17226 1 
       61 . 1 1  83  83 GLY H H 1 12.9333671645  0.12152125118893518   . . . 1  83 GLY HN 17226 1 
       62 . 1 1  84  84 ARG H H 1 11.9008085069  0.15957290662565621   . . . 1  84 ARG HN 17226 1 
       63 . 1 1  85  85 GLY H H 1 11.2321853254  0.10510529089009675   . . . 1  85 GLY HN 17226 1 
       64 . 1 1  86  86 ILE H H 1 11.5836744568  0.16831616470584668   . . . 1  86 ILE HN 17226 1 
       65 . 1 1  87  87 THR H H 1 13.3031397639  0.11073364641448256   . . . 1  87 THR HN 17226 1 
       66 . 1 1  90  90 HIS H H 1 13.9009047426  0.14118750319444778   . . . 1  90 HIS HN 17226 1 
       67 . 1 1  91  91 PHE H H 1 14.1150295432  0.1051590043610859    . . . 1  91 PHE HN 17226 1 
       68 . 1 1  92  92 SER H H 1 13.957717508   0.14184304247859802   . . . 1  92 SER HN 17226 1 
       69 . 1 1  93  93 LEU H H 1 13.0404548174  0.13132034339597112   . . . 1  93 LEU HN 17226 1 
       70 . 1 1  94  94 VAL H H 1 14.0402678218  0.11276615251395536   . . . 1  94 VAL HN 17226 1 
       71 . 1 1  95  95 ALA H H 1 14.3269048573  0.14352082484817422   . . . 1  95 ALA HN 17226 1 
       72 . 1 1  96  96 GLY H H 1 13.4725885682  0.11000529906958885   . . . 1  96 GLY HN 17226 1 
       73 . 1 1  97  97 HIS H H 1 12.9384737069  0.10828709003836937   . . . 1  97 HIS HN 17226 1 
       74 . 1 1  98  98 LEU H H 1 13.8358109801  0.090772964971745987  . . . 1  98 LEU HN 17226 1 
       75 . 1 1  99  99 ALA H H 1 14.8012884476  0.15548619868575531   . . . 1  99 ALA HN 17226 1 
       76 . 1 1 100 100 ASP H H 1 13.7098745141  0.1055152385067465    . . . 1 100 ASP HN 17226 1 
       77 . 1 1 101 101 ALA H H 1 13.8981221895  0.14328971177037444   . . . 1 101 ALA HN 17226 1 
       78 . 1 1 102 102 LEU H H 1 14.5471821165  0.14051845336229032   . . . 1 102 LEU HN 17226 1 
       79 . 1 1 103 103 THR H H 1 14.441884307   0.11185838655325722   . . . 1 103 THR HN 17226 1 
       80 . 1 1 104 104 ALA H H 1 12.6159326979  0.079973307392056561  . . . 1 104 ALA HN 17226 1 
       81 . 1 1 105 105 ALA H H 1 13.3413475861  0.11299397388847873   . . . 1 105 ALA HN 17226 1 
       82 . 1 1 106 106 GLY H H 1 12.5844091945  0.16505087867471188   . . . 1 106 GLY HN 17226 1 
       83 . 1 1 112 112 ILE H H 1 14.7213086513  0.094667216591601488  . . . 1 112 ILE HN 17226 1 
       84 . 1 1 114 114 GLU H H 1 12.7915599101  0.088127242570849904  . . . 1 114 GLU HN 17226 1 
       85 . 1 1 115 115 ILE H H 1 12.1809401239  0.11623239844558968   . . . 1 115 ILE HN 17226 1 
       86 . 1 1 116 116 LEU H H 1 13.5553858449  0.12746294467187183   . . . 1 116 LEU HN 17226 1 
       87 . 1 1 117 117 GLY H H 1 13.4927440052  0.1068678299329292    . . . 1 117 GLY HN 17226 1 
       88 . 1 1 118 118 VAL H H 1 11.8349597866  0.10281375212581491   . . . 1 118 VAL HN 17226 1 
       89 . 1 1 119 119 ILE H H 1 12.8810440792  0.16281502935273265   . . . 1 119 ILE HN 17226 1 
       90 . 1 1 120 120 ALA H H 1 13.2867537018  0.10757532519712353   . . . 1 120 ALA HN 17226 1 
       91 . 1 1 122 122 LEU H H 1 12.4883722644  0.11557601144751839   . . . 1 122 LEU HN 17226 1 
       92 . 1 1 123 123 ALA H H 1 13.20833624    0.083591557127646141  . . . 1 123 ALA HN 17226 1 
       93 . 1 1 124 124 VAL H H 1 13.6046892049  0.10654361849372058   . . . 1 124 VAL HN 17226 1 
       94 . 1 1 125 125 ASP H H 1 11.9637986395  0.09527701509696522   . . . 1 125 ASP HN 17226 1 
       95 . 1 1 126 126 VAL H H 1 13.1608620071  0.15592794346156855   . . . 1 126 VAL HN 17226 1 
       96 . 1 1 127 127 THR H H 1 12.4083676491  0.1419752648658682    . . . 1 127 THR HN 17226 1 
       97 . 1 1 129 129 GLY H H 1  7.63527920412 0.27126272480348385   . . . 1 129 GLY HN 17226 1 
       98 . 1 1 130 130 GLU H H 1  6.53532361492 0.0718928179774765    . . . 1 130 GLU HN 17226 1 
       99 . 1 1 133 133 THR H H 1  3.63142398121 0.17341195166165896   . . . 1 133 THR HN 17226 1 
      100 . 1 1 134 134 ALA H H 1  3.11549117582 0.023893504368792447  . . . 1 134 ALA HN 17226 1 
      101 . 1 1 136 136 VAL H H 1  1.6557571602  0.0074973684019097745 . . . 1 136 VAL HN 17226 1 

   stop_

save_


save_heteronuclear_R2_list_2
   _Heteronucl_T2_list.Sf_category                   heteronucl_T2_relaxation
   _Heteronucl_T2_list.Sf_framecode                  heteronuclear_R2_list_2
   _Heteronucl_T2_list.Entry_ID                      17226
   _Heteronucl_T2_list.ID                            2
   _Heteronucl_T2_list.Sample_condition_list_ID      1
   _Heteronucl_T2_list.Sample_condition_list_label  $sample_conditions_1
   _Heteronucl_T2_list.Temp_calibration_method       methanol
   _Heteronucl_T2_list.Temp_control_method          'single scan interleaving'
   _Heteronucl_T2_list.Spectrometer_frequency_1H     600
   _Heteronucl_T2_list.T2_coherence_type             Nz
   _Heteronucl_T2_list.T2_val_units                  s-1
   _Heteronucl_T2_list.Rex_units                     .
   _Heteronucl_T2_list.Details                       .
   _Heteronucl_T2_list.Text_data_format              .
   _Heteronucl_T2_list.Text_data                     .

   loop_
      _Heteronucl_T2_experiment.Experiment_ID
      _Heteronucl_T2_experiment.Experiment_name
      _Heteronucl_T2_experiment.Sample_ID
      _Heteronucl_T2_experiment.Sample_label
      _Heteronucl_T2_experiment.Sample_state
      _Heteronucl_T2_experiment.Entry_ID
      _Heteronucl_T2_experiment.Heteronucl_T2_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 2 

   stop_

   loop_
      _Heteronucl_T2_software.Software_ID
      _Heteronucl_T2_software.Software_label
      _Heteronucl_T2_software.Method_ID
      _Heteronucl_T2_software.Method_label
      _Heteronucl_T2_software.Entry_ID
      _Heteronucl_T2_software.Heteronucl_T2_list_ID

      5 $relax . . 17226 2 

   stop_

   loop_
      _T2.ID
      _T2.Assembly_atom_ID
      _T2.Entity_assembly_ID
      _T2.Entity_ID
      _T2.Comp_index_ID
      _T2.Seq_ID
      _T2.Comp_ID
      _T2.Atom_ID
      _T2.Atom_type
      _T2.Atom_isotope_number
      _T2.T2_val
      _T2.T2_val_err
      _T2.Rex_val
      _T2.Rex_err
      _T2.Resonance_ID
      _T2.Auth_entity_assembly_ID
      _T2.Auth_seq_ID
      _T2.Auth_comp_ID
      _T2.Auth_atom_ID
      _T2.Entry_ID
      _T2.Heteronucl_T2_list_ID

        1 . 1 1   7   7 LEU H H 1  5.63151501864 0.15830310001116812   . . . 1   7 LEU HN 17226 2 
        2 . 1 1  11  11 GLU H H 1  6.75312263377 0.10236359043075993   . . . 1  11 GLU HN 17226 2 
        3 . 1 1  13  13 ILE H H 1  8.1800228146  0.069884291724758046  . . . 1  13 ILE HN 17226 2 
        4 . 1 1  14  14 SER H H 1 12.5758267709  0.19019394033604398   . . . 1  14 SER HN 17226 2 
        5 . 1 1  15  15 ILE H H 1 13.2208561827  0.25554798061693818   . . . 1  15 ILE HN 17226 2 
        6 . 1 1  16  16 TYR H H 1 13.0080504989  0.19288046816022944   . . . 1  16 TYR HN 17226 2 
        7 . 1 1  17  17 ASP H H 1 13.684381302   0.17942049555198303   . . . 1  17 ASP HN 17226 2 
        8 . 1 1  19  19 ILE H H 1 12.9238110699  0.16030034348818289   . . . 1  19 ILE HN 17226 2 
        9 . 1 1  20  20 GLY H H 1 13.3950279977  0.13867342772372454   . . . 1  20 GLY HN 17226 2 
       10 . 1 1  21  21 GLY H H 1 12.3509688801  0.1223428915679356    . . . 1  21 GLY HN 17226 2 
       11 . 1 1  22  22 HIS H H 1 13.8821376225  0.18571250785935367   . . . 1  22 HIS HN 17226 2 
       12 . 1 1  23  23 GLU H H 1 15.3973208156  0.1772367666384331    . . . 1  23 GLU HN 17226 2 
       13 . 1 1  24  24 ALA H H 1 13.5531167801  0.093717628349379634  . . . 1  24 ALA HN 17226 2 
       14 . 1 1  25  25 ILE H H 1 14.6742547429  0.18786038813930736   . . . 1  25 ILE HN 17226 2 
       15 . 1 1  26  26 GLU H H 1 16.1689970271  0.23354024539154913   . . . 1  26 GLU HN 17226 2 
       16 . 1 1  28  28 VAL H H 1 14.1078880683  0.15409647834613574   . . . 1  28 VAL HN 17226 2 
       17 . 1 1  30  30 GLU H H 1 16.2053280301  0.16161455047997919   . . . 1  30 GLU HN 17226 2 
       18 . 1 1  31  31 ASP H H 1 15.8759592925  0.18343635260198904   . . . 1  31 ASP HN 17226 2 
       19 . 1 1  32  32 PHE H H 1 15.1133928258  0.17545703221106965   . . . 1  32 PHE HN 17226 2 
       20 . 1 1  33  33 TYR H H 1 15.7422774581  0.18907845209263482   . . . 1  33 TYR HN 17226 2 
       21 . 1 1  34  34 VAL H H 1 15.4442115379  0.13968368412407081   . . . 1  34 VAL HN 17226 2 
       22 . 1 1  35  35 ARG H H 1 15.3208374016  0.21905626672455406   . . . 1  35 ARG HN 17226 2 
       23 . 1 1  36  36 VAL H H 1 14.580746052   0.17911528184042899   . . . 1  36 VAL HN 17226 2 
       24 . 1 1  37  37 LEU H H 1 16.2460936789  0.18825095623123816   . . . 1  37 LEU HN 17226 2 
       25 . 1 1  38  38 ALA H H 1 15.6324934382  0.16507281697484216   . . . 1  38 ALA HN 17226 2 
       26 . 1 1  39  39 ASP H H 1 12.3476157706  0.10332538318374042   . . . 1  39 ASP HN 17226 2 
       27 . 1 1  40  40 ASP H H 1 12.789671655   0.12092869124452046   . . . 1  40 ASP HN 17226 2 
       28 . 1 1  41  41 GLN H H 1 14.468229703   0.12752162012766768   . . . 1  41 GLN HN 17226 2 
       29 . 1 1  42  42 LEU H H 1 12.9531411412  0.15114619409084665   . . . 1  42 LEU HN 17226 2 
       30 . 1 1  43  43 SER H H 1 12.4358649434  0.10189807815497995   . . . 1  43 SER HN 17226 2 
       31 . 1 1  44  44 ALA H H 1 12.8936565915  0.097325790744918955  . . . 1  44 ALA HN 17226 2 
       32 . 1 1  45  45 PHE H H 1 12.7421878364  0.097264647528682011  . . . 1  45 PHE HN 17226 2 
       33 . 1 1  46  46 PHE H H 1 12.6065835789  0.15357220590083348   . . . 1  46 PHE HN 17226 2 
       34 . 1 1  47  47 SER H H 1 13.1926893475  0.071118832601030427  . . . 1  47 SER HN 17226 2 
       35 . 1 1  49  49 THR H H 1 12.0091866868  0.088622498068733652  . . . 1  49 THR HN 17226 2 
       36 . 1 1  51  51 MET H H 1 14.6250589063  0.5032558518240654    . . . 1  51 MET HN 17226 2 
       37 . 1 1  52  52 SER H H 1 15.0503974355  0.38858538685502053   . . . 1  52 SER HN 17226 2 
       38 . 1 1  53  53 ARG H H 1 14.386843825   0.15101187725843662   . . . 1  53 ARG HN 17226 2 
       39 . 1 1  55  55 LYS H H 1 13.7761285042  0.16892001212612626   . . . 1  55 LYS HN 17226 2 
       40 . 1 1  56  56 GLY H H 1 14.6379741601  0.16949373462737008   . . . 1  56 GLY HN 17226 2 
       41 . 1 1  58  58 GLN H H 1 13.079269419   0.14878158310599268   . . . 1  58 GLN HN 17226 2 
       42 . 1 1  59  59 VAL H H 1 13.8482731546  0.15854945044167965   . . . 1  59 VAL HN 17226 2 
       43 . 1 1  60  60 GLU H H 1 14.5811721129  0.1370332856249761    . . . 1  60 GLU HN 17226 2 
       44 . 1 1  61  61 PHE H H 1 14.1607428843  0.16302398475496724   . . . 1  61 PHE HN 17226 2 
       45 . 1 1  62  62 PHE H H 1 13.8810507638  0.17551161934453685   . . . 1  62 PHE HN 17226 2 
       46 . 1 1  63  63 ALA H H 1 14.3034627367  0.12550304571733079   . . . 1  63 ALA HN 17226 2 
       47 . 1 1  64  64 ALA H H 1 14.607843223   0.11980613888752328   . . . 1  64 ALA HN 17226 2 
       48 . 1 1  66  66 LEU H H 1 12.5363767261  0.15144416033073718   . . . 1  66 LEU HN 17226 2 
       49 . 1 1  67  67 GLY H H 1 15.9144218361  0.1919543169256849    . . . 1  67 GLY HN 17226 2 
       50 . 1 1  68  68 GLY H H 1 14.9731623843  0.18723510079360084   . . . 1  68 GLY HN 17226 2 
       51 . 1 1  70  70 GLU H H 1 10.9922564665  0.12166767721535815   . . . 1  70 GLU HN 17226 2 
       52 . 1 1  72  72 TYR H H 1 11.3431864841  0.10475160796060762   . . . 1  72 TYR HN 17226 2 
       53 . 1 1  73  73 THR H H 1 12.6214509701  0.23178438960243891   . . . 1  73 THR HN 17226 2 
       54 . 1 1  75  75 ALA H H 1 12.0196027313  0.1272400571330545    . . . 1  75 ALA HN 17226 2 
       55 . 1 1  77  77 MET H H 1 15.6275948412  0.33724541896951588   . . . 1  77 MET HN 17226 2 
       56 . 1 1  78  78 LYS H H 1 14.1299693206  0.25930591199151565   . . . 1  78 LYS HN 17226 2 
       57 . 1 1  79  79 GLN H H 1 12.4667010838  0.10194828477144961   . . . 1  79 GLN HN 17226 2 
       58 . 1 1  80  80 VAL H H 1 15.3598060346  0.16835125218524427   . . . 1  80 VAL HN 17226 2 
       59 . 1 1  81  81 HIS H H 1 12.9457619441  0.3330588621291144    . . . 1  81 HIS HN 17226 2 
       60 . 1 1  82  82 GLN H H 1 12.9659705144  0.1062032375417922    . . . 1  82 GLN HN 17226 2 
       61 . 1 1  83  83 GLY H H 1 13.3502496912  0.15094858149882992   . . . 1  83 GLY HN 17226 2 
       62 . 1 1  84  84 ARG H H 1 12.7665969658  0.18829410284655354   . . . 1  84 ARG HN 17226 2 
       63 . 1 1  85  85 GLY H H 1 11.8655303555  0.12520711251173433   . . . 1  85 GLY HN 17226 2 
       64 . 1 1  86  86 ILE H H 1 12.1664431448  0.20071009153308936   . . . 1  86 ILE HN 17226 2 
       65 . 1 1  87  87 THR H H 1 14.1671527759  0.12326035553518486   . . . 1  87 THR HN 17226 2 
       66 . 1 1  90  90 HIS H H 1 14.9488116243  0.1606850882880137    . . . 1  90 HIS HN 17226 2 
       67 . 1 1  91  91 PHE H H 1 15.1391891163  0.11949483000676228   . . . 1  91 PHE HN 17226 2 
       68 . 1 1  92  92 SER H H 1 14.8365666519  0.15723992176536022   . . . 1  92 SER HN 17226 2 
       69 . 1 1  93  93 LEU H H 1 14.4133930337  0.17259020887416018   . . . 1  93 LEU HN 17226 2 
       70 . 1 1  94  94 VAL H H 1 15.1695640075  0.1238491372664849    . . . 1  94 VAL HN 17226 2 
       71 . 1 1  95  95 ALA H H 1 16.3431835783  0.17980400759162113   . . . 1  95 ALA HN 17226 2 
       72 . 1 1  96  96 GLY H H 1 14.8683349607  0.13048052088847625   . . . 1  96 GLY HN 17226 2 
       73 . 1 1  97  97 HIS H H 1 14.6586676404  0.16140850680228591   . . . 1  97 HIS HN 17226 2 
       74 . 1 1  98  98 LEU H H 1 14.7309030417  0.099499873871532751  . . . 1  98 LEU HN 17226 2 
       75 . 1 1  99  99 ALA H H 1 15.7113182594  0.14020401674759495   . . . 1  99 ALA HN 17226 2 
       76 . 1 1 100 100 ASP H H 1 15.01559947    0.14481293565809708   . . . 1 100 ASP HN 17226 2 
       77 . 1 1 101 101 ALA H H 1 14.9122367085  0.19275428449474369   . . . 1 101 ALA HN 17226 2 
       78 . 1 1 102 102 LEU H H 1 15.7174571695  0.17597573628207538   . . . 1 102 LEU HN 17226 2 
       79 . 1 1 103 103 THR H H 1 15.6851349095  0.12878679447877867   . . . 1 103 THR HN 17226 2 
       80 . 1 1 104 104 ALA H H 1 13.8519537118  0.10230272240330281   . . . 1 104 ALA HN 17226 2 
       81 . 1 1 105 105 ALA H H 1 15.2031536539  0.15743136324900561   . . . 1 105 ALA HN 17226 2 
       82 . 1 1 112 112 ILE H H 1 14.5393875121  0.1025969733406937    . . . 1 112 ILE HN 17226 2 
       83 . 1 1 114 114 GLU H H 1 13.6912276492  0.11122390735912746   . . . 1 114 GLU HN 17226 2 
       84 . 1 1 115 115 ILE H H 1 12.7054614649  0.13751840978598337   . . . 1 115 ILE HN 17226 2 
       85 . 1 1 116 116 LEU H H 1 14.7622734283  0.15388753410859701   . . . 1 116 LEU HN 17226 2 
       86 . 1 1 117 117 GLY H H 1 14.8634516863  0.13376919400938028   . . . 1 117 GLY HN 17226 2 
       87 . 1 1 118 118 VAL H H 1 13.1473020558  0.11417326783066889   . . . 1 118 VAL HN 17226 2 
       88 . 1 1 119 119 ILE H H 1 14.1007353731  0.18773911778958313   . . . 1 119 ILE HN 17226 2 
       89 . 1 1 120 120 ALA H H 1 13.8440679056  0.12378338131876809   . . . 1 120 ALA HN 17226 2 
       90 . 1 1 122 122 LEU H H 1 13.7155332504  0.12740362182209405   . . . 1 122 LEU HN 17226 2 
       91 . 1 1 123 123 ALA H H 1 14.370228834   0.10422106936299415   . . . 1 123 ALA HN 17226 2 
       92 . 1 1 124 124 VAL H H 1 14.99195275    0.1226843559092379    . . . 1 124 VAL HN 17226 2 
       93 . 1 1 125 125 ASP H H 1 12.966663614   0.10820591232551972   . . . 1 125 ASP HN 17226 2 
       94 . 1 1 126 126 VAL H H 1 14.6561654389  0.19926811750515075   . . . 1 126 VAL HN 17226 2 
       95 . 1 1 127 127 THR H H 1 14.0721075527  0.17150734675548746   . . . 1 127 THR HN 17226 2 
       96 . 1 1 129 129 GLY H H 1  7.6327905665  0.23993343733926562   . . . 1 129 GLY HN 17226 2 
       97 . 1 1 130 130 GLU H H 1  6.14647375279 0.069057847370384062  . . . 1 130 GLU HN 17226 2 
       98 . 1 1 133 133 THR H H 1  3.37492586215 0.14524743235243479   . . . 1 133 THR HN 17226 2 
       99 . 1 1 134 134 ALA H H 1  2.78928186988 0.019336358315877867  . . . 1 134 ALA HN 17226 2 
      100 . 1 1 136 136 VAL H H 1  1.11678735433 0.0044101915380507497 . . . 1 136 VAL HN 17226 2 

   stop_

save_


    ######################
    #  Order parameters  #
    ######################

save_order_parameter_list_1
   _Order_parameter_list.Sf_category                   order_parameters
   _Order_parameter_list.Sf_framecode                  order_parameter_list_1
   _Order_parameter_list.Entry_ID                      17226
   _Order_parameter_list.ID                            1
   _Order_parameter_list.Sample_condition_list_ID      1
   _Order_parameter_list.Sample_condition_list_label  $sample_conditions_1
   _Order_parameter_list.Tau_e_val_units               .
   _Order_parameter_list.Tau_f_val_units               .
   _Order_parameter_list.Tau_s_val_units               .
   _Order_parameter_list.Rex_field_strength            .
   _Order_parameter_list.Rex_val_units                 .
   _Order_parameter_list.Details                       .
   _Order_parameter_list.Text_data_format              .
   _Order_parameter_list.Text_data                     .

   loop_
      _Order_parameter_experiment.Experiment_ID
      _Order_parameter_experiment.Experiment_name
      _Order_parameter_experiment.Sample_ID
      _Order_parameter_experiment.Sample_label
      _Order_parameter_experiment.Sample_state
      _Order_parameter_experiment.Entry_ID
      _Order_parameter_experiment.Order_parameter_list_ID

      1 '2D 1H-15N HSQC' . . . 17226 1 

   stop_

   loop_
      _Order_parameter_software.Software_ID
      _Order_parameter_software.Software_label
      _Order_parameter_software.Method_ID
      _Order_parameter_software.Method_label
      _Order_parameter_software.Entry_ID
      _Order_parameter_software.Order_parameter_list_ID

      6 $ModelFree . . 17226 1 

   stop_

   loop_
      _Order_param.ID
      _Order_param.Assembly_atom_ID
      _Order_param.Entity_assembly_ID
      _Order_param.Entity_ID
      _Order_param.Comp_index_ID
      _Order_param.Seq_ID
      _Order_param.Comp_ID
      _Order_param.Atom_ID
      _Order_param.Atom_type
      _Order_param.Atom_isotope_number
      _Order_param.Order_param_val
      _Order_param.Order_param_val_fit_err
      _Order_param.Tau_e_val
      _Order_param.Tau_e_val_fit_err
      _Order_param.Tau_f_val
      _Order_param.Tau_f_val_fit_err
      _Order_param.Tau_s_val
      _Order_param.Tau_s_val_fit_err
      _Order_param.Rex_val
      _Order_param.Rex_val_fit_err
      _Order_param.Model_free_sum_squared_errs
      _Order_param.Model_fit
      _Order_param.Sf2_val
      _Order_param.Sf2_val_fit_err
      _Order_param.Ss2_val
      _Order_param.Ss2_val_fit_err
      _Order_param.SH2_val
      _Order_param.SH2_val_fit_err
      _Order_param.SN2_val
      _Order_param.SN2_val_fit_err
      _Order_param.Resonance_ID
      _Order_param.Auth_entity_assembly_ID
      _Order_param.Auth_seq_ID
      _Order_param.Auth_comp_ID
      _Order_param.Auth_atom_ID
      _Order_param.Entry_ID
      _Order_param.Order_parameter_list_ID

        1 . 1 1   7   7 LEU H H 1 0.324 0.021 . . . . . . . . . . . . . . . . . . . .   7 LEU H 17226 1 
        2 . 1 1  11  11 GLU H H 1 0.439 0.014 . . . . . . . . . . . . . . . . . . . .  11 GLU H 17226 1 
        3 . 1 1  13  13 ILE H H 1 0.492 0.010 . . . . . . . . . . . . . . . . . . . .  13 ILE H 17226 1 
        4 . 1 1  14  14 SER H H 1 0.857 0.016 . . . . . . . . . . . . . . . . . . . .  14 SER H 17226 1 
        5 . 1 1  15  15 ILE H H 1 0.923 0.022 . . . . . . . . . . . . . . . . . . . .  15 ILE H 17226 1 
        6 . 1 1  16  16 TYR H H 1 0.917 0.020 . . . . . . . . . . . . . . . . . . . .  16 TYR H 17226 1 
        7 . 1 1  17  17 ASP H H 1 0.928 0.018 . . . . . . . . . . . . . . . . . . . .  17 ASP H 17226 1 
        8 . 1 1  19  19 ILE H H 1 0.891 0.018 . . . . . . . . . . . . . . . . . . . .  19 ILE H 17226 1 
        9 . 1 1  20  20 GLY H H 1 0.889 0.015 . . . . . . . . . . . . . . . . . . . .  20 GLY H 17226 1 
       10 . 1 1  21  21 GLY H H 1 0.873 0.014 . . . . . . . . . . . . . . . . . . . .  21 GLY H 17226 1 
       11 . 1 1  22  22 HIS H H 1 0.928 0.018 . . . . . . . . . . . . . . . . . . . .  22 HIS H 17226 1 
       12 . 1 1  23  23 GLU H H 1 0.913 0.016 . . . . . . . . . . . . . . . . . . . .  23 GLU H 17226 1 
       13 . 1 1  24  24 ALA H H 1 0.820 0.013 . . . . . . . . . . . . . . . . . . . .  24 ALA H 17226 1 
       14 . 1 1  25  25 ILE H H 1 0.902 0.017 . . . . . . . . . . . . . . . . . . . .  25 ILE H 17226 1 
       15 . 1 1  26  26 GLU H H 1 0.947 0.018 . . . . . . . . . . . . . . . . . . . .  26 GLU H 17226 1 
       16 . 1 1  28  28 VAL H H 1 0.881 0.015 . . . . . . . . . . . . . . . . . . . .  28 VAL H 17226 1 
       17 . 1 1  30  30 GLU H H 1 0.876 0.019 . . . . . . . . . . . . . . . . . . . .  30 GLU H 17226 1 
       18 . 1 1  31  31 ASP H H 1 0.927 0.016 . . . . . . . . . . . . . . . . . . . .  31 ASP H 17226 1 
       19 . 1 1  32  32 PHE H H 1 0.927 0.017 . . . . . . . . . . . . . . . . . . . .  32 PHE H 17226 1 
       20 . 1 1  33  33 TYR H H 1 0.894 0.022 . . . . . . . . . . . . . . . . . . . .  33 TYR H 17226 1 
       21 . 1 1  34  34 VAL H H 1 0.900 0.015 . . . . . . . . . . . . . . . . . . . .  34 VAL H 17226 1 
       22 . 1 1  35  35 ARG H H 1 0.917 0.019 . . . . . . . . . . . . . . . . . . . .  35 ARG H 17226 1 
       23 . 1 1  36  36 VAL H H 1 0.909 0.018 . . . . . . . . . . . . . . . . . . . .  36 VAL H 17226 1 
       24 . 1 1  37  37 LEU H H 1 0.952 0.017 . . . . . . . . . . . . . . . . . . . .  37 LEU H 17226 1 
       25 . 1 1  38  38 ALA H H 1 0.918 0.016 . . . . . . . . . . . . . . . . . . . .  38 ALA H 17226 1 
       26 . 1 1  39  39 ASP H H 1 0.853 0.014 . . . . . . . . . . . . . . . . . . . .  39 ASP H 17226 1 
       27 . 1 1  40  40 ASP H H 1 0.897 0.016 . . . . . . . . . . . . . . . . . . . .  40 ASP H 17226 1 
       28 . 1 1  41  41 GLN H H 1 0.900 0.016 . . . . . . . . . . . . . . . . . . . .  41 GLN H 17226 1 
       29 . 1 1  42  42 LEU H H 1 0.884 0.018 . . . . . . . . . . . . . . . . . . . .  42 LEU H 17226 1 
       30 . 1 1  43  43 SER H H 1 0.872 0.014 . . . . . . . . . . . . . . . . . . . .  43 SER H 17226 1 
       31 . 1 1  44  44 ALA H H 1 0.888 0.016 . . . . . . . . . . . . . . . . . . . .  44 ALA H 17226 1 
       32 . 1 1  45  45 PHE H H 1 0.887 0.015 . . . . . . . . . . . . . . . . . . . .  45 PHE H 17226 1 
       33 . 1 1  46  46 PHE H H 1 0.889 0.017 . . . . . . . . . . . . . . . . . . . .  46 PHE H 17226 1 
       34 . 1 1  47  47 SER H H 1 0.889 0.013 . . . . . . . . . . . . . . . . . . . .  47 SER H 17226 1 
       35 . 1 1  49  49 THR H H 1 0.858 0.014 . . . . . . . . . . . . . . . . . . . .  49 THR H 17226 1 
       36 . 1 1  51  51 MET H H 1 0.963 0.030 . . . . . . . . . . . . . . . . . . . .  51 MET H 17226 1 
       37 . 1 1  52  52 SER H H 1 0.940 0.028 . . . . . . . . . . . . . . . . . . . .  52 SER H 17226 1 
       38 . 1 1  53  53 ARG H H 1 0.904 0.016 . . . . . . . . . . . . . . . . . . . .  53 ARG H 17226 1 
       39 . 1 1  55  55 LYS H H 1 0.913 0.018 . . . . . . . . . . . . . . . . . . . .  55 LYS H 17226 1 
       40 . 1 1  56  56 GLY H H 1 0.905 0.017 . . . . . . . . . . . . . . . . . . . .  56 GLY H 17226 1 
       41 . 1 1  58  58 GLN H H 1 0.896 0.017 . . . . . . . . . . . . . . . . . . . .  58 GLN H 17226 1 
       42 . 1 1  59  59 VAL H H 1 0.899 0.016 . . . . . . . . . . . . . . . . . . . .  59 VAL H 17226 1 
       43 . 1 1  60  60 GLU H H 1 0.904 0.016 . . . . . . . . . . . . . . . . . . . .  60 GLU H 17226 1 
       44 . 1 1  61  61 PHE H H 1 0.921 0.016 . . . . . . . . . . . . . . . . . . . .  61 PHE H 17226 1 
       45 . 1 1  62  62 PHE H H 1 0.931 0.017 . . . . . . . . . . . . . . . . . . . .  62 PHE H 17226 1 
       46 . 1 1  63  63 ALA H H 1 0.927 0.016 . . . . . . . . . . . . . . . . . . . .  63 ALA H 17226 1 
       47 . 1 1  64  64 ALA H H 1 0.903 0.016 . . . . . . . . . . . . . . . . . . . .  64 ALA H 17226 1 
       48 . 1 1  66  66 LEU H H 1 0.872 0.016 . . . . . . . . . . . . . . . . . . . .  66 LEU H 17226 1 
       49 . 1 1  67  67 GLY H H 1 0.933 0.017 . . . . . . . . . . . . . . . . . . . .  67 GLY H 17226 1 
       50 . 1 1  68  68 GLY H H 1 0.912 0.016 . . . . . . . . . . . . . . . . . . . .  68 GLY H 17226 1 
       51 . 1 1  70  70 GLU H H 1 0.781 0.016 . . . . . . . . . . . . . . . . . . . .  70 GLU H 17226 1 
       52 . 1 1  72  72 TYR H H 1 0.788 0.014 . . . . . . . . . . . . . . . . . . . .  72 TYR H 17226 1 
       53 . 1 1  73  73 THR H H 1 0.907 0.022 . . . . . . . . . . . . . . . . . . . .  73 THR H 17226 1 
       54 . 1 1  75  75 ALA H H 1 0.809 0.017 . . . . . . . . . . . . . . . . . . . .  75 ALA H 17226 1 
       55 . 1 1  77  77 MET H H 1 0.974 0.021 . . . . . . . . . . . . . . . . . . . .  77 MET H 17226 1 
       56 . 1 1  78  78 LYS H H 1 0.932 0.022 . . . . . . . . . . . . . . . . . . . .  78 LYS H 17226 1 
       57 . 1 1  79  79 GLN H H 1 0.747 0.014 . . . . . . . . . . . . . . . . . . . .  79 GLN H 17226 1 
       58 . 1 1  80  80 VAL H H 1 0.889 0.018 . . . . . . . . . . . . . . . . . . . .  80 VAL H 17226 1 
       59 . 1 1  81  81 HIS H H 1 0.875 0.023 . . . . . . . . . . . . . . . . . . . .  81 HIS H 17226 1 
       60 . 1 1  82  82 GLN H H 1 0.842 0.013 . . . . . . . . . . . . . . . . . . . .  82 GLN H 17226 1 
       61 . 1 1  83  83 GLY H H 1 0.779 0.019 . . . . . . . . . . . . . . . . . . . .  83 GLY H 17226 1 
       62 . 1 1  84  84 ARG H H 1 0.742 0.032 . . . . . . . . . . . . . . . . . . . .  84 ARG H 17226 1 
       63 . 1 1  85  85 GLY H H 1 0.858 0.014 . . . . . . . . . . . . . . . . . . . .  85 GLY H 17226 1 
       64 . 1 1  86  86 ILE H H 1 0.859 0.021 . . . . . . . . . . . . . . . . . . . .  86 ILE H 17226 1 
       65 . 1 1  87  87 THR H H 1 0.789 0.019 . . . . . . . . . . . . . . . . . . . .  87 THR H 17226 1 
       66 . 1 1  90  90 HIS H H 1 0.857 0.021 . . . . . . . . . . . . . . . . . . . .  90 HIS H 17226 1 
       67 . 1 1  91  91 PHE H H 1 0.821 0.018 . . . . . . . . . . . . . . . . . . . .  91 PHE H 17226 1 
       68 . 1 1  92  92 SER H H 1 0.865 0.022 . . . . . . . . . . . . . . . . . . . .  92 SER H 17226 1 
       69 . 1 1  93  93 LEU H H 1 0.895 0.016 . . . . . . . . . . . . . . . . . . . .  93 LEU H 17226 1 
       70 . 1 1  94  94 VAL H H 1 0.857 0.018 . . . . . . . . . . . . . . . . . . . .  94 VAL H 17226 1 
       71 . 1 1  95  95 ALA H H 1 0.860 0.019 . . . . . . . . . . . . . . . . . . . .  95 ALA H 17226 1 
       72 . 1 1  96  96 GLY H H 1 0.889 0.015 . . . . . . . . . . . . . . . . . . . .  96 GLY H 17226 1 
       73 . 1 1  97  97 HIS H H 1 0.898 0.015 . . . . . . . . . . . . . . . . . . . .  97 HIS H 17226 1 
       74 . 1 1  98  98 LEU H H 1 0.817 0.016 . . . . . . . . . . . . . . . . . . . .  98 LEU H 17226 1 
       75 . 1 1  99  99 ALA H H 1 0.877 0.017 . . . . . . . . . . . . . . . . . . . .  99 ALA H 17226 1 
       76 . 1 1 100 100 ASP H H 1 0.922 0.015 . . . . . . . . . . . . . . . . . . . . 100 ASP H 17226 1 
       77 . 1 1 101 101 ALA H H 1 0.836 0.021 . . . . . . . . . . . . . . . . . . . . 101 ALA H 17226 1 
       78 . 1 1 102 102 LEU H H 1 0.837 0.019 . . . . . . . . . . . . . . . . . . . . 102 LEU H 17226 1 
       79 . 1 1 103 103 THR H H 1 0.940 0.015 . . . . . . . . . . . . . . . . . . . . 103 THR H 17226 1 
       80 . 1 1 104 104 ALA H H 1 0.872 0.014 . . . . . . . . . . . . . . . . . . . . 104 ALA H 17226 1 
       81 . 1 1 105 105 ALA H H 1 0.779 0.017 . . . . . . . . . . . . . . . . . . . . 105 ALA H 17226 1 
       82 . 1 1 106 106 GLY H H 1 0.828 0.021 . . . . . . . . . . . . . . . . . . . . 106 GLY H 17226 1 
       83 . 1 1 112 112 ILE H H 1 0.855 0.017 . . . . . . . . . . . . . . . . . . . . 112 ILE H 17226 1 
       84 . 1 1 114 114 GLU H H 1 0.893 0.015 . . . . . . . . . . . . . . . . . . . . 114 GLU H 17226 1 
       85 . 1 1 115 115 ILE H H 1 0.882 0.015 . . . . . . . . . . . . . . . . . . . . 115 ILE H 17226 1 
       86 . 1 1 116 116 LEU H H 1 0.952 0.017 . . . . . . . . . . . . . . . . . . . . 116 LEU H 17226 1 
       87 . 1 1 117 117 GLY H H 1 0.899 0.015 . . . . . . . . . . . . . . . . . . . . 117 GLY H 17226 1 
       88 . 1 1 118 118 VAL H H 1 0.880 0.016 . . . . . . . . . . . . . . . . . . . . 118 VAL H 17226 1 
       89 . 1 1 119 119 ILE H H 1 0.912 0.019 . . . . . . . . . . . . . . . . . . . . 119 ILE H 17226 1 
       90 . 1 1 120 120 ALA H H 1 0.882 0.015 . . . . . . . . . . . . . . . . . . . . 120 ALA H 17226 1 
       91 . 1 1 122 122 LEU H H 1 0.886 0.015 . . . . . . . . . . . . . . . . . . . . 122 LEU H 17226 1 
       92 . 1 1 123 123 ALA H H 1 0.907 0.015 . . . . . . . . . . . . . . . . . . . . 123 ALA H 17226 1 
       93 . 1 1 124 124 VAL H H 1 0.862 0.014 . . . . . . . . . . . . . . . . . . . . 124 VAL H 17226 1 
       94 . 1 1 125 125 ASP H H 1 0.780 0.014 . . . . . . . . . . . . . . . . . . . . 125 ASP H 17226 1 
       95 . 1 1 126 126 VAL H H 1 0.914 0.018 . . . . . . . . . . . . . . . . . . . . 126 VAL H 17226 1 
       96 . 1 1 127 127 THR H H 1 0.874 0.017 . . . . . . . . . . . . . . . . . . . . 127 THR H 17226 1 
       97 . 1 1 129 129 GLY H H 1 0.434 0.030 . . . . . . . . . . . . . . . . . . . . 129 GLY H 17226 1 
       98 . 1 1 130 130 GLU H H 1 0.323 0.009 . . . . . . . . . . . . . . . . . . . . 130 GLU H 17226 1 
       99 . 1 1 133 133 THR H H 1 0.166 0.018 . . . . . . . . . . . . . . . . . . . . 133 THR H 17226 1 
      100 . 1 1 134 134 ALA H H 1 0.132 0.003 . . . . . . . . . . . . . . . . . . . . 134 ALA H 17226 1 
      101 . 1 1 136 136 VAL H H 1 0.030 0.001 . . . . . . . . . . . . . . . . . . . . 136 VAL H 17226 1 

   stop_

save_

