File: StandardSpectrum.ini

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;  
;  This section contains all atoms (of the 20 AA) that
;  are usually chemically equivalent, so their shift
;  will be averaged. 
; 
[EquivalentAtoms]
ALA 1HB,2HB,3HB
VAL 1HG1,2HG1,3HG1,1HG2,2HG2,3HG2
LEU 1HB2,2HB2
LEU 1HD1,2HD1,3HD1,1HD2,2HD2,3HD2
ILE 1HG1,2HG1,3HG1
ILE 1HG2,2HG2
ILE 1HE1,2HE1,3HE1
PHE HD2,HD1
PHE HE1,HE2
TYR HD2,HD1
TYR HE1,HE2
MET 1HE,2HE,3HE


;
;  This section contains the rapidly exchaning protons
;  of the 20 AA which are not considered for the spectrum.
;
[IgnoreAtoms]
*:1H
*:2H
*:3H
HIS:HD1
HIS:HE2
TYR:HH
SER:HG
THR:HG1
ASN:1HD2
ASN:2HD2
GLN:1HE2
GLN:2HE2
LYS:1HZ
LYS:2HZ
LYS:3HZ
ARG:HE
ARG:1HH1
ARG:2HH1
ARG:1HH2
ARG:2HH2
CYS:HG