The dataset contained in this folder was published in:

    Kaare Teilum, Flemming M Poulsen, Mikael Akke. 
    The inverted chevron plot measured by NMR relaxation reveals a native-like unfolding intermediate in acyl-CoA binding protein. 
    Proceedings of the National Academy of Sciences of the United States of America (2006). 
    http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1458987

The data was provided by Dr. Kaare Teilum:  kte AT bio DOT ku DOT dk

###### Processing of data
Data was recorded as FID interleaved.

The data has been re-processed by PhD student Troels Linnet. telinnet AT bio DOT ku DOT dk

This NMRPipe script was used for spectral processing for experiment in 0.48 M GuHCl (guanidine hydrochloride).
-----
nmrproc.com
-----
#!/bin/csh

nmrPipe -in test.fid \
| nmrPipe  -fn SOL                                    \
| nmrPipe  -fn GM  -g1 5 -g2 10 -c 1.0                \
| nmrPipe  -fn ZF -auto -size 8000                    \
| nmrPipe  -fn FT -auto                               \
| nmrPipe  -fn PS -p0 214.00 -p1 -21.00 -di -verb     \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 2 -c 0.5    \
| nmrPipe  -fn ZF -auto -size 8000                    \
| nmrPipe  -fn FT -neg                                \
| nmrPipe  -fn PS -p0 0.00 -p1 0.00 -di -verb         \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn POLY -auto                             \
| nmrPipe  -fn EXT -left -sw                          \
   -ov -out test.ft2
------------------

This NMRPipe script was used for spectral processing for experiment in 1.01 M GuHCl (guanidine hydrochloride).
-----
nmrproc.com
-----
#!/bin/csh

nmrPipe -in test.fid \
| nmrPipe  -fn SOL                                    \
| nmrPipe  -fn GM  -g1 5 -g2 10 -c 1.0                \
| nmrPipe  -fn ZF -auto -size 8000                    \
| nmrPipe  -fn FT -auto                               \
| nmrPipe  -fn PS -p0 -138.40 -p1 -43.00 -di -verb     \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 2 -c 0.5    \
| nmrPipe  -fn ZF -auto -size 8000                    \
| nmrPipe  -fn FT -neg                                \
| nmrPipe  -fn PS -p0 0.00 -p1 0.00 -di -verb         \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn POLY -auto                             \
| nmrPipe  -fn EXT -left -sw                          \
   -ov -out test.ft2
------------------

The heights was measured with NMRPipe seriesTab.

> seriesTab -in peaks_list.tab -out peaks_list_max_standard.ser -list ft2_files.ls -max

The RMSD for the background noise was determined in SPARKY.

An experimental "ncyc.txt" list, describing the experimental details for the each spectrum was created with:
-----------------
set NCYCLIST=`awk '/^ncyc /{f=1;next}f{print $0;exit}' procpar`; echo $NCYCLIST
set TIMET2=`awk '/^time_T2 /{f=1;next}f{print $2;exit}' procpar`; echo $TIMET2
set SFRQ=`awk '/^sfrq /{f=1;next}f{print $2;exit}' procpar`; echo $SFRQ
 
foreach I (`seq 2 ${#NCYCLIST}`)
set NCYC=${NCYCLIST[$I]}; set FRQ=`echo ${NCYC}/${TIMET2} | bc -l`; echo $NCYC $TIMET2 $FRQ $SFRQ >> ncyc.txt
end
cat ncyc.txt
--------------

In the last column "ncyc.txt" is the measured spectrum RMSD in SPARKY, with:
"st" and recompute for "10000" points.
