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stdconntable.c
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/* name: stdconntable.c */
/* author: J. Michael Word Date Written: 11/15/98 */
/* purpose: describes the bonding connectivies for */
/* each std amino acid residue or */
/* nucleic acid base */
/*****************************************************************/
/* NOTICE: This is free software and the source code is freely */
/* available. You are free to redistribute or modify under the */
/* conditions that (1) this notice is not removed or modified */
/* in any way and (2) any modified versions of the program are */
/* also available for free. */
/* ** Absolutely no Warranty ** */
/* Copyright (C) 1999 J. Michael Word */
/*****************************************************************/
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "stdconntable.h"
/* the hash modulus M must be prime */
#define M 2617
typedef struct _StdResConnTableEntry {
char *key;
char *value;
struct _StdResConnTableEntry *next;
} StdResConnTableEntry_t;
int HashInStdResTbl(char *s);
int InsertInStdResConnTable(StdResConnTableEntry_t *e);
char *SearchStdResConnTable(char *key);
static StdResConnTableEntry_t *StdResTblBucket[M] = {NULL};
/* For each of the standard amino acids and bases, we */
/* list the parent atom for each hydrogen in the table */
/* below. We want this table to be as general as */
/* possible so where alternative names are commonly */
/* employed for an H atom, we list each of them. Where */
/* the parent atom name has several forms, we list */
/* each of them separated by a colon */
/* Farther down the table is the connectivity for the */
/* non hydrogens in each standard residue or base. */
static StdResConnTableEntry_t StandardResAtomConnRec[] = {
/* fix for problem with output of truncated H names from O */
#define ALLOW_TRUNCATED_H_NAMES 1
/*---------------------------------------*/
{"ALA: H ", " N : NT ", NULL},
{"ALA: HN ", " N : NT ", NULL},
{"ALA:1H ", " N : NT ", NULL},
{"ALA:2H ", " N : NT ", NULL},
{"ALA:3H ", " N : NT ", NULL},
{"ALA: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ALA: H2 ", " N : NT ", NULL}, /* */
{"ALA: H3 ", " N : NT ", NULL}, /* */
{"ALA: HT1", " N : NT ", NULL},
{"ALA: HT2", " N : NT ", NULL},
{"ALA: HT3", " N : NT ", NULL},
{"ALA: HA ", " CA ", NULL},
{"ALA:1HB ", " CB ", NULL},
{"ALA:2HB ", " CB ", NULL},
{"ALA:3HB ", " CB ", NULL},
{"ALA: HB1", " CB ", NULL},
{"ALA: HB2", " CB ", NULL},
{"ALA: HB3", " CB ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ALA: HT ", " N : NT ", NULL},
{"ALA: HB ", " CB ", NULL},
#endif
{"CYS: H ", " N : NT ", NULL},
{"CYS: HN ", " N : NT ", NULL},
{"CYS:1H ", " N : NT ", NULL},
{"CYS:2H ", " N : NT ", NULL},
{"CYS:3H ", " N : NT ", NULL},
{"CYS: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"CYS: H2 ", " N : NT ", NULL}, /* */
{"CYS: H3 ", " N : NT ", NULL}, /* */
{"CYS: HT1", " N : NT ", NULL},
{"CYS: HT2", " N : NT ", NULL},
{"CYS: HT3", " N : NT ", NULL},
{"CYS: HA ", " CA ", NULL},
{"CYS:1HB ", " CB ", NULL},
{"CYS:2HB ", " CB ", NULL},
{"CYS: HB1", " CB ", NULL},
{"CYS: HB2", " CB ", NULL},
/* {"CYS: HB2", " CB ", NULL},*/ /* remediated names RMI 070718 */
{"CYS: HB3", " CB ", NULL}, /* */
{"CYS: HG ", " SG ", NULL}, /* check for SH2 ? reduce has HG2 and HG3... */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"CYS: HT ", " N : NT ", NULL},
{"CYS: HB ", " CB ", NULL},
#endif
{"ASP: H ", " N : NT ", NULL},
{"ASP: HN ", " N : NT ", NULL},
{"ASP:1H ", " N : NT ", NULL},
{"ASP:2H ", " N : NT ", NULL},
{"ASP:3H ", " N : NT ", NULL},
{"ASP: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ASP: H2 ", " N : NT ", NULL}, /* */
{"ASP: H3 ", " N : NT ", NULL}, /* */
{"ASP: HT1", " N : NT ", NULL},
{"ASP: HT2", " N : NT ", NULL},
{"ASP: HT3", " N : NT ", NULL},
{"ASP: HA ", " CA ", NULL},
{"ASP:1HB ", " CB ", NULL},
{"ASP:2HB ", " CB ", NULL},
{"ASP: HB1", " CB ", NULL},
{"ASP: HB2", " CB ", NULL},
/* {"ASP: HB2", " CB ", NULL},*/ /* remediated names RMI 070718 */
{"ASP: HB3", " CB ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ASP: HT ", " N : NT ", NULL},
{"ASP: HB ", " CB ", NULL},
#endif
{"GLU: H ", " N : NT ", NULL},
{"GLU: HN ", " N : NT ", NULL},
{"GLU:1H ", " N : NT ", NULL},
{"GLU:2H ", " N : NT ", NULL},
{"GLU:3H ", " N : NT ", NULL},
{"GLU: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"GLU: H2 ", " N : NT ", NULL}, /* */
{"GLU: H3 ", " N : NT ", NULL}, /* */
{"GLU: HT1", " N : NT ", NULL},
{"GLU: HT2", " N : NT ", NULL},
{"GLU: HT3", " N : NT ", NULL},
{"GLU: HA ", " CA ", NULL},
{"GLU:1HB ", " CB ", NULL},
{"GLU:2HB ", " CB ", NULL},
{"GLU: HB1", " CB ", NULL},
{"GLU: HB2", " CB ", NULL},
/* {"GLU: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"GLU: HB3", " CB ", NULL}, /* */
{"GLU:1HG ", " CG ", NULL},
{"GLU:2HG ", " CG ", NULL},
{"GLU: HG1", " CG ", NULL},
{"GLU: HG2", " CG ", NULL},
/* {"GLU: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"GLU: HG3", " CG ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"GLU: HT ", " N : NT ", NULL},
{"GLU: HB ", " CB ", NULL},
{"GLU: HG ", " CG ", NULL},
#endif
{"PHE: H ", " N : NT ", NULL},
{"PHE: HN ", " N : NT ", NULL},
{"PHE:1H ", " N : NT ", NULL},
{"PHE:2H ", " N : NT ", NULL},
{"PHE:3H ", " N : NT ", NULL},
{"PHE: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"PHE: H2 ", " N : NT ", NULL}, /* */
{"PHE: H3 ", " N : NT ", NULL}, /* */
{"PHE: HT1", " N : NT ", NULL},
{"PHE: HT2", " N : NT ", NULL},
{"PHE: HT3", " N : NT ", NULL},
{"PHE: HA ", " CA ", NULL},
{"PHE:1HB ", " CB ", NULL},
{"PHE:2HB ", " CB ", NULL},
{"PHE: HB1", " CB ", NULL},
{"PHE: HB2", " CB ", NULL},
/* {"PHE: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"PHE: HB3", " CB ", NULL}, /* */
{"PHE: HD1", " CD1", NULL},
{"PHE: HD2", " CD2", NULL},
{"PHE: HE1", " CE1", NULL},
{"PHE: HE2", " CE2", NULL},
{"PHE: HZ ", " CZ ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"PHE: HT ", " N : NT ", NULL},
{"PHE: HB ", " CB ", NULL},
{"PHE: HD ", " CD1: CD2", NULL},
{"PHE: HE ", " CE1: CE2", NULL},
#endif
{"GLY: H ", " N : NT ", NULL},
{"GLY: HN ", " N : NT ", NULL},
{"GLY:1H ", " N : NT ", NULL},
{"GLY:2H ", " N : NT ", NULL},
{"GLY:3H ", " N : NT ", NULL},
{"GLY: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"GLY: H2 ", " N : NT ", NULL}, /* */
{"GLY: H3 ", " N : NT ", NULL}, /* */
{"GLY: HT1", " N : NT ", NULL},
{"GLY: HT2", " N : NT ", NULL},
{"GLY: HT3", " N : NT ", NULL},
{"GLY:1HA ", " CA ", NULL},
{"GLY:2HA ", " CA ", NULL},
{"GLY: HA1", " CA ", NULL},
{"GLY: HA2", " CA ", NULL},
/* {"GLY: HA2", " CA ", NULL}, */ /* remediated names RMI 070718 */
{"GLY: HA3", " CA ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"GLY: HT ", " N : NT ", NULL},
{"GLY: HA ", " CA ", NULL},
#endif
{"HIS: H ", " N : NT ", NULL},
{"HIS: HN ", " N : NT ", NULL},
{"HIS:1H ", " N : NT ", NULL},
{"HIS:2H ", " N : NT ", NULL},
{"HIS:3H ", " N : NT ", NULL},
{"HIS: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"HIS: H2 ", " N : NT ", NULL}, /* */
{"HIS: H3 ", " N : NT ", NULL}, /* */
{"HIS: HT1", " N : NT ", NULL},
{"HIS: HT2", " N : NT ", NULL},
{"HIS: HT3", " N : NT ", NULL},
{"HIS: HA ", " CA ", NULL},
{"HIS:1HB ", " CB ", NULL},
{"HIS:2HB ", " CB ", NULL},
{"HIS: HB1", " CB ", NULL},
{"HIS: HB2", " CB ", NULL},
/* {"HIS: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"HIS: HB3", " CB ", NULL}, /* */
{"HIS: HD1", " ND1", NULL},
{"HIS: HD2", " CD2", NULL},
{"HIS: HE1", " CE1", NULL},
{"HIS: HE2", " NE2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"HIS: HT ", " N : NT ", NULL},
{"HIS: HB ", " CB ", NULL},
{"HIS: HD ", " ND1: CD2", NULL},
{"HIS: HE ", " CE1: NE2", NULL},
#endif
{"ILE: H ", " N : NT ", NULL},
{"ILE: HN ", " N : NT ", NULL},
{"ILE:1H ", " N : NT ", NULL},
{"ILE:2H ", " N : NT ", NULL},
{"ILE:3H ", " N : NT ", NULL},
{"ILE: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ILE: H2 ", " N : NT ", NULL}, /* */
{"ILE: H3 ", " N : NT ", NULL}, /* */
{"ILE: HT1", " N : NT ", NULL},
{"ILE: HT2", " N : NT ", NULL},
{"ILE: HT3", " N : NT ", NULL},
{"ILE: HA ", " CA ", NULL},
{"ILE: HB ", " CB ", NULL},
{"ILE:1HG1", " CG1", NULL},
{"ILE:2HG1", " CG1", NULL},
{"ILE:HG11", " CG1", NULL},
{"ILE:HG12", " CG1", NULL},
{"ILE:1HG2", " CG2", NULL},
{"ILE:2HG2", " CG2", NULL},
{"ILE:3HG2", " CG2", NULL},
{"ILE:HG21", " CG2", NULL},
{"ILE:HG22", " CG2", NULL},
{"ILE:HG23", " CG2", NULL},
{"ILE:1HD1", " CD1", NULL},
{"ILE:2HD1", " CD1", NULL},
{"ILE:3HD1", " CD1", NULL},
{"ILE:HD11", " CD1", NULL},
{"ILE:HD12", " CD1", NULL},
{"ILE:HD13", " CD1", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ILE: HT ", " N : NT ", NULL},
{"ILE:1HG ", " CG1: CG2", NULL},
{"ILE:2HG ", " CG1: CG2", NULL},
{"ILE:3HG ", " CG2", NULL},
{"ILE:HG1 ", " CG1", NULL},
{"ILE:HG2 ", " CG2", NULL},
{"ILE:1HD ", " CD1", NULL},
{"ILE:2HD ", " CD1", NULL},
{"ILE:3HD ", " CD1", NULL},
{"ILE:HD1 ", " CD1", NULL},
#endif
{"LYS: H ", " N : NT ", NULL},
{"LYS: HN ", " N : NT ", NULL},
{"LYS:1H ", " N : NT ", NULL},
{"LYS:2H ", " N : NT ", NULL},
{"LYS:3H ", " N : NT ", NULL},
{"LYS: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"LYS: H2 ", " N : NT ", NULL}, /* */
{"LYS: H3 ", " N : NT ", NULL}, /* */
{"LYS: HT1", " N : NT ", NULL},
{"LYS: HT2", " N : NT ", NULL},
{"LYS: HT3", " N : NT ", NULL},
{"LYS: HA ", " CA ", NULL},
{"LYS:1HB ", " CB ", NULL},
{"LYS:2HB ", " CB ", NULL},
{"LYS: HB1", " CB ", NULL},
{"LYS: HB2", " CB ", NULL},
/* {"LYS: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"LYS: HB3", " CB ", NULL}, /* */
{"LYS:1HG ", " CG ", NULL},
{"LYS:2HG ", " CG ", NULL},
{"LYS: HG1", " CG ", NULL},
{"LYS: HG2", " CG ", NULL},
/* {"LYS: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"LYS: HG3", " CG ", NULL}, /* */
{"LYS:1HD ", " CD ", NULL},
{"LYS:2HD ", " CD ", NULL},
{"LYS: HD1", " CD ", NULL},
{"LYS: HD2", " CD ", NULL},
/* {"LYS: HD2", " CD ", NULL}, */ /* remediated names RMI 070718 */
{"LYS: HD3", " CD ", NULL}, /* */
{"LYS:1HE ", " CE ", NULL},
{"LYS:2HE ", " CE ", NULL},
{"LYS: HE1", " CE ", NULL},
{"LYS: HE2", " CE ", NULL},
/* {"LYS: HE2", " CE ", NULL}, */ /* remediated names RMI 070718 */
{"LYS: HE3", " CE ", NULL}, /* */
{"LYS:1HZ ", " NZ ", NULL},
{"LYS:2HZ ", " NZ ", NULL},
{"LYS:3HZ ", " NZ ", NULL},
{"LYS: HZ1", " NZ ", NULL},
{"LYS: HZ2", " NZ ", NULL},
{"LYS: HZ3", " NZ ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"LYS: HT ", " N : NT ", NULL},
{"LYS: HB ", " CB ", NULL},
{"LYS: HG ", " CG ", NULL},
{"LYS: HD ", " CD ", NULL},
{"LYS: HE ", " CE ", NULL},
{"LYS: HZ ", " NZ ", NULL},
#endif
{"LEU: H ", " N : NT ", NULL},
{"LEU: HN ", " N : NT ", NULL},
{"LEU:1H ", " N : NT ", NULL},
{"LEU:2H ", " N : NT ", NULL},
{"LEU:3H ", " N : NT ", NULL},
{"LEU: HT1", " N : NT ", NULL},
{"LEU: HT2", " N : NT ", NULL},
{"LEU: HT3", " N : NT ", NULL},
{"LEU: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"LEU: H2 ", " N : NT ", NULL}, /* */
{"LEU: H3 ", " N : NT ", NULL}, /* */
{"LEU: HA ", " CA ", NULL},
{"LEU:1HB ", " CB ", NULL},
{"LEU:2HB ", " CB ", NULL},
{"LEU: HB1", " CB ", NULL},
{"LEU: HB2", " CB ", NULL},
/* {"LEU: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"LEU: HB3", " CB ", NULL}, /* */
{"LEU: HG ", " CG ", NULL},
{"LEU:1HD1", " CD1", NULL},
{"LEU:2HD1", " CD1", NULL},
{"LEU:3HD1", " CD1", NULL},
{"LEU:HD11", " CD1", NULL},
{"LEU:HD12", " CD1", NULL},
{"LEU:HD13", " CD1", NULL},
{"LEU:1HD2", " CD2", NULL},
{"LEU:2HD2", " CD2", NULL},
{"LEU:3HD2", " CD2", NULL},
{"LEU:HD21", " CD2", NULL},
{"LEU:HD22", " CD2", NULL},
{"LEU:HD23", " CD2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"LEU: HT ", " N : NT ", NULL},
{"LEU: HB ", " CB ", NULL},
{"LEU:1HD ", " CD1: CD2", NULL},
{"LEU:2HD ", " CD1: CD2", NULL},
{"LEU:3HD ", " CD1: CD2", NULL},
{"LEU:HD1 ", " CD1", NULL},
{"LEU:HD2 ", " CD2", NULL},
#endif
{"MET: H ", " N : NT ", NULL},
{"MET: HN ", " N : NT ", NULL},
{"MET:1H ", " N : NT ", NULL},
{"MET:2H ", " N : NT ", NULL},
{"MET:3H ", " N : NT ", NULL},
{"MET: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"MET: H2 ", " N : NT ", NULL}, /* */
{"MET: H3 ", " N : NT ", NULL}, /* */
{"MET: HT1", " N : NT ", NULL},
{"MET: HT2", " N : NT ", NULL},
{"MET: HT3", " N : NT ", NULL},
{"MET: HA ", " CA ", NULL},
{"MET:1HB ", " CB ", NULL},
{"MET:2HB ", " CB ", NULL},
{"MET: HB1", " CB ", NULL},
{"MET: HB2", " CB ", NULL},
/* {"MET: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"MET: HB3", " CB ", NULL}, /* */
{"MET:1HG ", " CG ", NULL},
{"MET:2HG ", " CG ", NULL},
{"MET: HG1", " CG ", NULL},
{"MET: HG2", " CG ", NULL},
/* {"MET: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"MET: HG3", " CG ", NULL}, /* */
{"MET:1HE ", " CE ", NULL},
{"MET:2HE ", " CE ", NULL},
{"MET:3HE ", " CE ", NULL},
{"MET: HE1", " CE ", NULL},
{"MET: HE2", " CE ", NULL},
{"MET: HE3", " CE ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"MET: HT ", " N : NT ", NULL},
{"MET: HB ", " CB ", NULL},
{"MET: HG ", " CG ", NULL},
{"MET: HE ", " CE ", NULL},
#endif
{"ASN: H ", " N : NT ", NULL},
{"ASN: HN ", " N : NT ", NULL},
{"ASN:1H ", " N : NT ", NULL},
{"ASN:2H ", " N : NT ", NULL},
{"ASN:3H ", " N : NT ", NULL},
{"ASN: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ASN: H2 ", " N : NT ", NULL}, /* */
{"ASN: H3 ", " N : NT ", NULL}, /* */
{"ASN: HT1", " N : NT ", NULL},
{"ASN: HT2", " N : NT ", NULL},
{"ASN: HT3", " N : NT ", NULL},
{"ASN: HA ", " CA ", NULL},
{"ASN:1HB ", " CB ", NULL},
{"ASN:2HB ", " CB ", NULL},
{"ASN: HB1", " CB ", NULL},
{"ASN: HB2", " CB ", NULL},
/* {"ASN: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"ASN: HB3", " CB ", NULL}, /* */
{"ASN:1HD2", " ND2", NULL},
{"ASN:2HD2", " ND2", NULL},
{"ASN:HD21", " ND2", NULL},
{"ASN:HD22", " ND2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ASN: HT ", " N : NT ", NULL},
{"ASN: HB ", " CB ", NULL},
{"ASN:1HD ", " ND2", NULL},
{"ASN:2HD ", " ND2", NULL},
{"ASN:HD2 ", " ND2", NULL},
#endif
{"PRO:1H ", " N : NT ", NULL},
{"PRO:2H ", " N : NT ", NULL},
{"PRO: HT1", " N : NT ", NULL},
{"PRO: HT2", " N : NT ", NULL},
{"PRO: HA ", " CA ", NULL},
{"PRO:1HB ", " CB ", NULL},
{"PRO:2HB ", " CB ", NULL},
{"PRO: HB1", " CB ", NULL},
{"PRO: HB2", " CB ", NULL},
/* {"PRO: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"PRO: HB3", " CB ", NULL}, /* */
{"PRO:1HG ", " CG ", NULL},
{"PRO:2HG ", " CG ", NULL},
{"PRO: HG1", " CG ", NULL},
{"PRO: HG2", " CG ", NULL},
/* {"PRO: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"PRO: HG3", " CG ", NULL}, /* */
{"PRO:1HD ", " CD ", NULL},
{"PRO:2HD ", " CD ", NULL},
{"PRO: HD1", " CD ", NULL},
{"PRO: HD2", " CD ", NULL},
/* {"PRO: HD2", " CD ", NULL}, */ /* remediated names RMI 070718 */
{"PRO: HD3", " CD ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"PRO: HT ", " N : NT ", NULL},
{"PRO: HB ", " CB ", NULL},
{"PRO: HG ", " CG ", NULL},
{"PRO: HD ", " CD ", NULL},
#endif
{"GLN: H ", " N : NT ", NULL},
{"GLN: HN ", " N : NT ", NULL},
{"GLN:1H ", " N : NT ", NULL},
{"GLN:2H ", " N : NT ", NULL},
{"GLN:3H ", " N : NT ", NULL},
{"GLN: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"GLN: H2 ", " N : NT ", NULL}, /* */
{"GLN: H3 ", " N : NT ", NULL}, /* */
{"GLN: HT1", " N : NT ", NULL},
{"GLN: HT2", " N : NT ", NULL},
{"GLN: HT3", " N : NT ", NULL},
{"GLN: HA ", " CA ", NULL},
{"GLN:1HB ", " CB ", NULL},
{"GLN:2HB ", " CB ", NULL},
{"GLN: HB1", " CB ", NULL},
{"GLN: HB2", " CB ", NULL},
/* {"GLN: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"GLN: HB3", " CB ", NULL}, /* */
{"GLN:1HG ", " CG ", NULL},
{"GLN:2HG ", " CG ", NULL},
{"GLN: HG1", " CG ", NULL},
{"GLN: HG2", " CG ", NULL},
/* {"GLN: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"GLN: HG3", " CG ", NULL}, /* */
{"GLN:1HE2", " NE2", NULL},
{"GLN:2HE2", " NE2", NULL},
{"GLN:HE21", " NE2", NULL},
{"GLN:HE22", " NE2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"GLN: HT ", " N : NT ", NULL},
{"GLN: HB ", " CB ", NULL},
{"GLN: HG ", " CG ", NULL},
{"GLN:1HE ", " NE2", NULL},
{"GLN:2HE ", " NE2", NULL},
{"GLN:HE2 ", " NE2", NULL},
#endif
{"ARG: H ", " N : NT ", NULL},
{"ARG: HN ", " N : NT ", NULL},
{"ARG:1H ", " N : NT ", NULL},
{"ARG:2H ", " N : NT ", NULL},
{"ARG:3H ", " N : NT ", NULL},
{"ARG: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ARG: H2 ", " N : NT ", NULL}, /* */
{"ARG: H3 ", " N : NT ", NULL}, /* */
{"ARG: HT1", " N : NT ", NULL},
{"ARG: HT2", " N : NT ", NULL},
{"ARG: HT3", " N : NT ", NULL},
{"ARG: HA ", " CA ", NULL},
{"ARG:1HB ", " CB ", NULL},
{"ARG:2HB ", " CB ", NULL},
{"ARG: HB1", " CB ", NULL},
{"ARG: HB2", " CB ", NULL},
/* {"ARG: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"ARG: HB3", " CB ", NULL}, /* */
{"ARG:1HG ", " CG ", NULL},
{"ARG:2HG ", " CG ", NULL},
{"ARG: HG1", " CG ", NULL},
{"ARG: HG2", " CG ", NULL},
/* {"ARG: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"ARG: HG3", " CG ", NULL}, /* */
{"ARG:1HD ", " CD ", NULL},
{"ARG:2HD ", " CD ", NULL},
{"ARG: HD1", " CD ", NULL},
{"ARG: HD2", " CD ", NULL},
/* {"ARG: HD2", " CD ", NULL}, */ /* remediated names RMI 070718 */
{"ARG: HD3", " CD ", NULL}, /* */
{"ARG: HE ", " NE ", NULL},
{"ARG:1HH1", " NH1", NULL},
{"ARG:2HH1", " NH1", NULL},
{"ARG:1HH2", " NH2", NULL},
{"ARG:2HH2", " NH2", NULL},
{"ARG:HH11", " NH1", NULL},
{"ARG:HH12", " NH1", NULL},
{"ARG:HH21", " NH2", NULL},
{"ARG:HH22", " NH2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ARG: HT ", " N : NT ", NULL},
{"ARG: HB ", " CB ", NULL},
{"ARG: HG ", " CG ", NULL},
{"ARG: HD ", " CD ", NULL},
{"ARG:1HH ", " NH1: NH2", NULL},
{"ARG:2HH ", " NH1: NH2", NULL},
{"ARG:HH1 ", " NH1", NULL},
{"ARG:HH2 ", " NH2", NULL},
#endif
{"SER: H ", " N : NT ", NULL},
{"SER: HN ", " N : NT ", NULL},
{"SER:1H ", " N : NT ", NULL},
{"SER:2H ", " N : NT ", NULL},
{"SER:3H ", " N : NT ", NULL},
{"SER: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"SER: H2 ", " N : NT ", NULL}, /* */
{"SER: H3 ", " N : NT ", NULL}, /* */
{"SER: HT1", " N : NT ", NULL},
{"SER: HT2", " N : NT ", NULL},
{"SER: HT3", " N : NT ", NULL},
{"SER: HA ", " CA ", NULL},
{"SER:1HB ", " CB ", NULL},
{"SER:2HB ", " CB ", NULL},
{"SER: HB1", " CB ", NULL},
{"SER: HB2", " CB ", NULL},
/* {"SER: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"SER: HB3", " CB ", NULL}, /* */
{"SER: HG ", " OG ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"SER: HT ", " N : NT ", NULL},
{"SER: HB ", " CB ", NULL},
#endif
{"THR: H ", " N : NT ", NULL},
{"THR: HN ", " N : NT ", NULL},
{"THR:1H ", " N : NT ", NULL},
{"THR:2H ", " N : NT ", NULL},
{"THR:3H ", " N : NT ", NULL},
{"THR: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"THR: H2 ", " N : NT ", NULL}, /* */
{"THR: H3 ", " N : NT ", NULL}, /* */
{"THR: HT1", " N : NT ", NULL},
{"THR: HT2", " N : NT ", NULL},
{"THR: HT3", " N : NT ", NULL},
{"THR: HA ", " CA ", NULL},
{"THR: HB ", " CB ", NULL},
{"THR: HG1", " OG1", NULL},
{"THR: HG ", " OG1", NULL},
{"THR:1HG2", " CG2", NULL},
{"THR:2HG2", " CG2", NULL},
{"THR:3HG2", " CG2", NULL},
{"THR:HG21", " CG2", NULL},
{"THR:HG22", " CG2", NULL},
{"THR:HG23", " CG2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"THR: HT ", " N : NT ", NULL},
{"THR:1HG ", " CG2", NULL},
{"THR:2HG ", " CG2", NULL},
{"THR:3HG ", " CG2", NULL},
{"THR:HG2 ", " CG2", NULL},
#endif
{"VAL: H ", " N : NT ", NULL},
{"VAL: HN ", " N : NT ", NULL},
{"VAL:1H ", " N : NT ", NULL},
{"VAL:2H ", " N : NT ", NULL},
{"VAL:3H ", " N : NT ", NULL},
{"VAL: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"VAL: H2 ", " N : NT ", NULL}, /* */
{"VAL: H3 ", " N : NT ", NULL}, /* */
{"VAL: HT1", " N : NT ", NULL},
{"VAL: HT2", " N : NT ", NULL},
{"VAL: HT3", " N : NT ", NULL},
{"VAL: HA ", " CA ", NULL},
{"VAL: HB ", " CB ", NULL},
{"VAL:1HG1", " CG1", NULL},
{"VAL:2HG1", " CG1", NULL},
{"VAL:3HG1", " CG1", NULL},
{"VAL:HG11", " CG1", NULL},
{"VAL:HG12", " CG1", NULL},
{"VAL:HG13", " CG1", NULL},
{"VAL:1HG2", " CG2", NULL},
{"VAL:2HG2", " CG2", NULL},
{"VAL:3HG2", " CG2", NULL},
{"VAL:HG21", " CG2", NULL},
{"VAL:HG22", " CG2", NULL},
{"VAL:HG23", " CG2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"VAL: HT ", " N : NT ", NULL},
{"VAL:1HG ", " CG1: CG2", NULL},
{"VAL:2HG ", " CG1: CG2", NULL},
{"VAL:3HG ", " CG1: CG2", NULL},
{"VAL:HG1 ", " CG1", NULL},
{"VAL:HG2 ", " CG2", NULL},
#endif
{"TRP: H ", " N : NT ", NULL},
{"TRP: HN ", " N : NT ", NULL},
{"TRP:1H ", " N : NT ", NULL},
{"TRP:2H ", " N : NT ", NULL},
{"TRP:3H ", " N : NT ", NULL},
{"TRP: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"TRP: H2 ", " N : NT ", NULL}, /* */
{"TRP: H3 ", " N : NT ", NULL}, /* */
{"TRP: HT1", " N : NT ", NULL},
{"TRP: HT2", " N : NT ", NULL},
{"TRP: HT3", " N : NT ", NULL},
{"TRP: HA ", " CA ", NULL},
{"TRP:1HB ", " CB ", NULL},
{"TRP:2HB ", " CB ", NULL},
{"TRP: HB1", " CB ", NULL},
{"TRP: HB2", " CB ", NULL},
/* {"TRP: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"TRP: HB3", " CB ", NULL}, /* */
{"TRP: HD1", " CD1", NULL},
{"TRP: HE1", " NE1", NULL},
{"TRP: HE3", " CE3", NULL},
{"TRP: HZ2", " CZ2", NULL},
{"TRP: HZ3", " CZ3", NULL},
{"TRP: HH2", " CH2", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"TRP: HT ", " N : NT ", NULL},
{"TRP: HB ", " CB ", NULL},
{"TRP: HD ", " CD1", NULL},
{"TRP: HE ", " NE1: CE3", NULL},
{"TRP: HZ ", " CZ2: CZ3", NULL},
{"TRP: HH ", " CH2", NULL},
#endif
{"TYR: H ", " N : NT ", NULL},
{"TYR: HN ", " N : NT ", NULL},
{"TYR:1H ", " N : NT ", NULL},
{"TYR:2H ", " N : NT ", NULL},
{"TYR:3H ", " N : NT ", NULL},
{"TYR: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"TYR: H2 ", " N : NT ", NULL}, /* */
{"TYR: H3 ", " N : NT ", NULL}, /* */
{"TYR: HT1", " N : NT ", NULL},
{"TYR: HT2", " N : NT ", NULL},
{"TYR: HT3", " N : NT ", NULL},
{"TYR: HA ", " CA ", NULL},
{"TYR:1HB ", " CB ", NULL},
{"TYR:2HB ", " CB ", NULL},
{"TYR: HB1", " CB ", NULL},
{"TYR: HB2", " CB ", NULL},
/* {"TYR: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"TYR: HB3", " CB ", NULL}, /* */
{"TYR: HD1", " CD1", NULL},
{"TYR: HD2", " CD2", NULL},
{"TYR: HE1", " CE1", NULL},
{"TYR: HE2", " CE2", NULL},
{"TYR: HH ", " OH ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{"TYR: HT ", " N : NT ", NULL},
{"TYR: HB ", " CB ", NULL},
{"TYR: HD ", " CD1: CD2", NULL},
{"TYR: HE ", " CE1: CE2", NULL},
#endif
/*---------------------------------------*/
{"ASX: H ", " N : NT ", NULL},
{"ASX: HN ", " N : NT ", NULL},
{"ASX:1H ", " N : NT ", NULL},
{"ASX:2H ", " N : NT ", NULL},
{"ASX:3H ", " N : NT ", NULL},
{"ASX: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"ASX: H2 ", " N : NT ", NULL}, /* */
{"ASX: H3 ", " N : NT ", NULL}, /* */
{"ASX: HT1", " N : NT ", NULL},
{"ASX: HT2", " N : NT ", NULL},
{"ASX: HT3", " N : NT ", NULL},
{"ASX: HA ", " CA ", NULL},
{"ASX:1HB ", " CB ", NULL},
{"ASX:2HB ", " CB ", NULL},
{"ASX: HB1", " CB ", NULL},
{"ASX: HB2", " CB ", NULL},
/* {"ASX: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"ASX: HB3", " CB ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"ASX: HT ", " N : NT ", NULL},
{"ASX: HB ", " CB ", NULL},
#endif
{"GLX: H ", " N : NT ", NULL},
{"GLX: HN ", " N : NT ", NULL},
{"GLX:1H ", " N : NT ", NULL},
{"GLX:2H ", " N : NT ", NULL},
{"GLX:3H ", " N : NT ", NULL},
{"GLX: H1 ", " N : NT ", NULL}, /* remediated names RMI 070718 */
{"GLX: H2 ", " N : NT ", NULL}, /* */
{"GLX: H3 ", " N : NT ", NULL}, /* */
{"GLX: HT1", " N : NT ", NULL},
{"GLX: HT2", " N : NT ", NULL},
{"GLX: HT3", " N : NT ", NULL},
{"GLX: HA ", " CA ", NULL},
{"GLX:1HB ", " CB ", NULL},
{"GLX:2HB ", " CB ", NULL},
{"GLX: HB1", " CB ", NULL},
{"GLX: HB2", " CB ", NULL},
/* {"GLX: HB2", " CB ", NULL}, */ /* remediated names RMI 070718 */
{"GLX: HB3", " CB ", NULL}, /* */
{"GLX:1HG ", " CG ", NULL},
{"GLX:2HG ", " CG ", NULL},
{"GLX: HG1", " CG ", NULL},
{"GLX: HG2", " CG ", NULL},
/* {"GLX: HG2", " CG ", NULL}, */ /* remediated names RMI 070718 */
{"GLX: HG3", " CG ", NULL}, /* */
#ifdef ALLOW_TRUNCATED_H_NAMES
{"GLX: HT ", " N : NT ", NULL},
{"GLX: HB ", " CB ", NULL},
{"GLX: HG ", " CG ", NULL},
#endif
/*---------------------------------------*/
{" U: H1*", " C1*: C1'", NULL},
{" U: H1'", " C1*: C1'", NULL},
{" U: H3*", " C3*: C3'", NULL},
{" U: H3'", " C3*: C3'", NULL},
{" U: H4*", " C4*: C4'", NULL},
{" U: H4'", " C4*: C4'", NULL},
{" U:1H5*", " C5*: C5'", NULL},
{" U:2H5*", " C5*: C5'", NULL},
{" U:*H51", " C5*: C5'", NULL},
{" U:*H52", " C5*: C5'", NULL},
{" U:H5''", " C5*: C5'", NULL},
{" U: H5'", " C5*: C5'", NULL},
{" U:1H2*", " C2*: C2'", NULL},
{" U:2H2*", " C2*: C2'", NULL},
{" U: H2*", " C2*: C2'", NULL},
{" U:H2''", " C2*: C2'", NULL},
{" U: H2'", " C2*: C2'", NULL},
{" U:2HO*", " O2*: O2'", NULL},
{" U:*HO2", " O2*: O2'", NULL},
{" U:HO2'", " O2*: O2'", NULL}, /* remediated names RMI 070718 */
{" U: H3T", " O3*: O3'", NULL},
{" U: H5T", " O5*: O5'", NULL},
{" U:3HO*", " O3*: O3'", NULL},
{" U:*HO3", " O3*: O3'", NULL},
{" U:HO3'", " O3*: O3'", NULL}, /* remediated names RMI 070718 */
{" U:5HO*", " O5*: O5'", NULL},
{" U:*HO5", " O5*: O5'", NULL},
{" U:HO5'", " O5*: O5'", NULL}, /* remediated names RMI 070718 */
{" U: HN3", " N3 ", NULL},
/* {" U: H3 ", " N3 ", NULL}, */ /* remediated names RMI 070718 */
{" U: H6 ", " C6 ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{" U: H1 ", " C1*: C1'", NULL},
{" U: H4 ", " C4*: C4'", NULL},
{" U:1H5 ", " C5*: C5'", NULL},
{" U:2H5 ", " C5*: C5'", NULL},
{" U:*H5 ", " C5*", NULL},
{" U:H5' ", " C5'", NULL},
{" U:1H2 ", " C2*: C2'", NULL},
{" U:2H2 ", " C2*: C2'", NULL},
{" U: H2 ", " C2*: C2': O2*: O2'", NULL},
{" U:H2' ", " C2'", NULL},
{" U:2HO ", " O2*: O2'", NULL},
{" U:*HO ", " O2*: O3*: O5*", NULL},
{" U:3HO ", " O3*: O3'", NULL},
{" U:5HO ", " O5*: O5'", NULL},
{" U: HN ", " N3 ", NULL},
{" U: H3 ", " N3 : C3*: C3': O3*: O3'", NULL},
{" U: H5 ", " C5 : C5': C5*: O5*: O5'", NULL},
#else
{" U: H3 ", " N3 ", NULL},
{" U: H5 ", " C5 ", NULL},
#endif
{" T: H1*", " C1*: C1'", NULL},
{" T: H1'", " C1*: C1'", NULL},
{" T: H3*", " C3*: C3'", NULL},
{" T: H3'", " C3*: C3'", NULL},
{" T: H4*", " C4*: C4'", NULL},
{" T: H4'", " C4*: C4'", NULL},
{" T:1H5*", " C5*: C5'", NULL},
{" T:2H5*", " C5*: C5'", NULL},
{" T:*H51", " C5*: C5'", NULL},
{" T:*H52", " C5*: C5'", NULL},
{" T:H5''", " C5*: C5'", NULL},
{" T: H5'", " C5*: C5'", NULL},
{" T:1H2*", " C2*: C2'", NULL},
{" T:2H2*", " C2*: C2'", NULL},
{" T: H2*", " C2*: C2'", NULL},
{" T:H2''", " C2*: C2'", NULL},
{" T: H2'", " C2*: C2'", NULL},
{" T:2HO*", " O2*: O2'", NULL},
{" T:*HO2", " O2*: O2'", NULL},
{" T:HO2'", " O2*: O2'", NULL}, /* remediated names RMI 070718 */
{" T: H3T", " O3*: O3'", NULL},
{" T: H5T", " O5*: O5'", NULL},
{" T:3HO*", " O3*: O3'", NULL},
{" T:*HO3", " O3*: O3'", NULL},
{" T:HO3'", " O3*: O3'", NULL}, /* remediated names RMI 070718 */
{" T:5HO*", " O5*: O5'", NULL},
{" T:*HO5", " O5*: O5'", NULL},
{" T:HO5'", " O5*: O5'", NULL}, /* remediated names RMI 070718 */
{" T: HN3", " N3 ", NULL},
{" T:1H5M", " C7 : C5A: CA5: C5M", NULL},
{" T:2H5M", " C7 : C5A: CA5: C5M", NULL},
{" T:3H5M", " C7 : C5A: CA5: C5M", NULL},
{" T:1HM5", " C7 : C5A: CA5: C5M", NULL},
{" T:2HM5", " C7 : C5A: CA5: C5M", NULL},
{" T:3HM5", " C7 : C5A: CA5: C5M", NULL},
{" T:H5M1", " C7 : C5A: CA5: C5M", NULL},
{" T:H5M2", " C7 : C5A: CA5: C5M", NULL},
{" T:H5M3", " C7 : C5A: CA5: C5M", NULL},
{" T:1H5A", " C7 : C5A: CA5: C5M", NULL},
{" T:2H5A", " C7 : C5A: CA5: C5M", NULL},
{" T:3H5A", " C7 : C5A: CA5: C5M", NULL},
{" T:1HA5", " C7 : C5A: CA5: C5M", NULL},
{" T:2HA5", " C7 : C5A: CA5: C5M", NULL},
{" T:3HA5", " C7 : C5A: CA5: C5M", NULL},
{" T:H5A1", " C7 : C5A: CA5: C5M", NULL},
{" T:H5A2", " C7 : C5A: CA5: C5M", NULL},
{" T:H5A3", " C7 : C5A: CA5: C5M", NULL},
{" T: H71", " C7 : C5A: CA5: C5M", NULL}, /* remediated names RMI 070718 */
{" T: H72", " C7 : C5A: CA5: C5M", NULL}, /* */
{" T: H73", " C7 : C5A: CA5: C5M", NULL}, /* */
{" T: H6 ", " C6 ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{" T: H1 ", " C1*: C1'", NULL},
{" T: H4 ", " C4*: C4'", NULL},
{" T:*H5 ", " C5*", NULL},
{" T:H5' ", " C5'", NULL},
{" T: H5 ", " C5': C5*: O5*: O5'", NULL},
{" T:1H2 ", " C2*: C2'", NULL},
{" T:2H2 ", " C2*: C2'", NULL},
{" T: H2 ", " C2*: C2': O2*: O2'", NULL},
{" T:H2' ", " C2'", NULL},
{" T:2HO ", " O2*: O2'", NULL},
{" T:*HO ", " O2*: O3*: O5*", NULL},
{" T:3HO ", " O3*: O3'", NULL},
{" T:5HO ", " O5*: O5'", NULL},
{" T: HN ", " N3 ", NULL},
{" T:1H5 ", " C5M: C5A: C5*: C5'", NULL},
{" T:2H5 ", " C5M: C5A: C5*: C5'", NULL},
{" T:3H5 ", " C5M: C5A", NULL},
{" T:1HM ", " C5M: CM5", NULL},
{" T:2HM ", " C5M: CM5", NULL},
{" T:3HM ", " C5M: CM5", NULL},
{" T:1HA ", " C5A: CA5", NULL},
{" T:2HA ", " C5A: CA5", NULL},
{" T:3HA ", " C5A: CA5", NULL},
{" T:H5M ", " C5M", NULL},
{" T:H5A ", " C5A", NULL},
{" T: H3 ", " N3 : C3*: C3': O3*: O3'", NULL},
#else
{" T: H3 ", " N3 ", NULL},
#endif
{" A: H1*", " C1*: C1'", NULL},
{" A: H1'", " C1*: C1'", NULL},
{" A: H3*", " C3*: C3'", NULL},
{" A: H3'", " C3*: C3'", NULL},
{" A: H4*", " C4*: C4'", NULL},
{" A: H4'", " C4*: C4'", NULL},
{" A:1H5*", " C5*: C5'", NULL},
{" A:2H5*", " C5*: C5'", NULL},
{" A:*H51", " C5*: C5'", NULL},
{" A:*H52", " C5*: C5'", NULL},
{" A:H5''", " C5*: C5'", NULL},
{" A: H5'", " C5*: C5'", NULL},
{" A:1H2*", " C2*: C2'", NULL},
{" A:2H2*", " C2*: C2'", NULL},
{" A: H2*", " C2*: C2'", NULL},
{" A:H2''", " C2*: C2'", NULL},
{" A: H2'", " C2*: C2'", NULL},
{" A:2HO*", " O2*: O2'", NULL},
{" A:*HO2", " O2*: O2'", NULL},
{" A:HO2'", " O2*: O2'", NULL}, /* remediated names RMI 070718 */
{" A: H3T", " O3*: O3'", NULL},
{" A: H5T", " O5*: O5'", NULL},
{" A:3HO*", " O3*: O3'", NULL},
{" A:*HO3", " O3*: O3'", NULL},
{" A:HO3'", " O3*: O3'", NULL}, /* remediated names RMI 070718 */
{" A:5HO*", " O5*: O5'", NULL},
{" A:*HO5", " O5*: O5'", NULL},
{" A:HO5'", " O5*: O5'", NULL}, /* remediated names RMI 070718 */
{" A:1H6 ", " N6 ", NULL},
{" A:2H6 ", " N6 ", NULL},
{" A:1HN6", " N6 ", NULL},
{" A:2HN6", " N6 ", NULL},
{" A: H61", " N6 ", NULL},
{" A: H62", " N6 ", NULL},
{" A: H8 ", " C8 ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{" A: H1 ", " C1*: C1'", NULL},
{" A: H3 ", " C3*: C3': O3*: O3'", NULL},
{" A: H4 ", " C4*: C4'", NULL},
{" A:1H5 ", " C5*: C5'", NULL},
{" A:2H5 ", " C5*: C5'", NULL},
{" A:*H5 ", " C5*: C5'", NULL},
{" A:H5' ", " C5*: C5*", NULL},
{" A: H5 ", " C5': C5*: O5*: O5'", NULL},
{" A:1H2 ", " C2*: C2'", NULL},
{" A:2H2 ", " C2*: C2'", NULL},
{" A:H2' ", " C2*: C2'", NULL},
{" A:2HO ", " O2*: O2'", NULL},
{" A:*HO ", " O2*: O3*: O5*", NULL},
{" A:3HO ", " O3*: O3'", NULL},
{" A:5HO ", " O5*: O5'", NULL},
{" A:1HN ", " N6 ", NULL},
{" A:2HN ", " N6 ", NULL},
{" A: H6 ", " N6 ", NULL},
{" A: H2 ", " C2 : C2*: C2': O2*: O2'", NULL},
#else
{" A: H2 ", " C2 ", NULL},
#endif
{" C: H1*", " C1*: C1'", NULL},
{" C: H1'", " C1*: C1'", NULL},
{" C: H3*", " C3*: C3'", NULL},
{" C: H3'", " C3*: C3'", NULL},
{" C: H4*", " C4*: C4'", NULL},
{" C: H4'", " C4*: C4'", NULL},
{" C:1H5*", " C5*: C5'", NULL},
{" C:2H5*", " C5*: C5'", NULL},
{" C:*H51", " C5*: C5'", NULL},
{" C:*H52", " C5*: C5'", NULL},
{" C:H5''", " C5*: C5'", NULL},
{" C: H5'", " C5*: C5'", NULL},
{" C:1H2*", " C2*: C2'", NULL},
{" C:2H2*", " C2*: C2'", NULL},
{" C: H2*", " C2*: C2'", NULL},
{" C:H2''", " C2*: C2'", NULL},
{" C: H2'", " C2*: C2'", NULL},
{" C:2HO*", " O2*: O2'", NULL},
{" C:*HO2", " O2*: O2'", NULL},
{" C:HO2'", " O2*: O2'", NULL}, /* remediated names RMI 070718 */
{" C: H3T", " O3*: O3'", NULL},
{" C: H5T", " O5*: O5'", NULL},
{" C:3HO*", " O3*: O3'", NULL},
{" C:*HO3", " O3*: O3'", NULL},
{" C:HO3'", " O3*: O3'", NULL}, /* remediated names RMI 070718 */
{" C:5HO*", " O5*: O5'", NULL},
{" C:*HO5", " O5*: O5'", NULL},
{" C:HO5'", " O5*: O5'", NULL}, /* remediated names RMI 070718 */
{" C:1H4 ", " N4 ", NULL},
{" C:2H4 ", " N4 ", NULL},
{" C:1HN4", " N4 ", NULL},
{" C:2HN4", " N4 ", NULL},
{" C: H41", " N4 ", NULL},
{" C: H42", " N4 ", NULL},
{" C: H6 ", " C6 ", NULL},
#ifdef ALLOW_TRUNCATED_H_NAMES
{" C: H1 ", " C1*: C1'", NULL},
{" C: H3 ", " C3*: C3': O3*: O3'", NULL},
{" C:1H5 ", " C5*: C5'", NULL},
{" C:2H5 ", " C5*: C5'", NULL},