# (c) Copyright 1997 by Garry Paul Gippert
#
# $GAPHOME/lib/pseudomap.iupac
# Used to convert PSEUDOATOM to IUPAC nomenclature for equivalent methyl and
# aromatic protons for r**-6 averaging of distances in the distance program.
#
# These strings are interpreted as regular expressions

#Changes made for use with disambig: removed PHE QR, LEU MDs, VAL MGs

... HN		H

ACE NH3		H1 H2 H3

ALA MB		HB1 HB2 HB3

CYS QB		HB2 HB3

ASP QB		HB2 HB3

GLU QB		HB2 HB3
GLU QG		HG2 HG3

PHE QB 		HB2 HB3
PHE HD		HD1 HD2
PHE HE		HE1 HE2

GLY QA		HA2 HA3

HIS QB		HB2 HB3

ILE NH3		H1 H2 H3
ILE QG1		HG12 HG13
ILE MG2		HG21 HG22 HG23
ILE MD1		HD11 HD12 HD13

LYS QB		HB2 HB3
LYS QG		HG2 HG3
LYS QD		HD2 HD3
LYS QE		HE2 HE3
LYS MZ		HZ1 HZ2 HZ3
# old nomenclature
LYS MZ		HNZ1 HNZ2 HNZ3	

LEU QB		HB2 HB3
LEU QD		HD11 HD12 HD13 HD21 HD22 HD23

MET QB		HB2 HB3
MET QG		HG2 HG3
MET ME		HE1 HE2 HE3

ASN QB		HB2 HB3
ASN QD2		HD21 HD22

PRO QB		HB2 HB3
PRO QG		HG2 HG3
PRO QD		HD2 HD3

GLN QB		HB2 HB3
GLN QG		HG2 HG3
GLN QE2		HE21 HE22

ARG QB		HB2 HB3
ARG QG		HG2 HG3
ARG QD		HD2 HD3
ARG NH1		HH11 HH12
ARG NH2		HH21 HH22
ARG NH1		HN11 HN12		# old nomenclature
ARG NH2		HN21 HN22		# old nomenclature

SER QB		HB2 HB3

THR MG2		HG21 HG22 HG23

VAL QG		HG11 HG12 HG13 HG21 HG22 HG23

TRP QB		HB2 HB3

TYR QB		HB2 HB3
TYR HD		HD1 HD2
TYR HE		HE1 HE2
TYR QR		HD1 HD2 HE1 HE2

# missing HEM propionate methylenes
HEM M1		HM11 HM12 HM13
HEM M3		HM31 HM32 HM33
HEM M5		HM51 HM52 HM53
HEM M8		HM81 HM82 HM83