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HEAD
Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git]
/
share
/
top
/
ffG45a3.hdb
blob
44628fb6a45ee0cae73f05f5fe05ccad5bb27d13
1
ABU 1
2
1 1 H N -C CA
3
ACEH 1
4
3 4 HA CA C O
5
AIB 1
6
1 1 H N -C CA
7
ALA 1
8
1 1 H N -C CA
9
ARG 4
10
1 1 H N -C CA
11
1 1 HE NE CD CZ
12
2 3 HH1 NH1 CZ NE
13
2 3 HH2 NH2 CZ NE
14
ARGN 4
15
1 1 H N -C CA
16
1 1 HE NE CD CZ
17
1 2 HH1 NH1 CZ NE
18
2 3 HH2 NH2 CZ NE
19
ASN 2
20
1 1 H N -C CA
21
2 3 HD2 ND2 CG CB
22
ASP 1
23
1 1 H N -C CA
24
ASP1 2
25
1 1 H N -C CA
26
1 2 HD1 OD1 CG CB
27
ASPH 2
28
1 1 H N -C CA
29
1 2 HD2 OD2 CG CB
30
BEN 7
31
1 1 H2 C2 C1 C3
32
1 1 H3 C3 C2 C4
33
1 1 H4 C4 C3 C5
34
1 1 H5 C5 C4 C6
35
1 1 H6 C6 C5 C1
36
2 3 H1 N1 C7 C1
37
2 3 H2 N2 C7 C1
38
CYS2 1
39
1 1 H N -C CA
40
CYSH 2
41
1 1 H N -C CA
42
1 2 HG SG CB CA
43
FAD 7
44
2 3 HN6 AN6 AC6 AC5
45
1 2 HO2* AO2* AC2* AC1*
46
1 2 HO3* AO3* AC3* AC2*
47
1 2 H4* O4* C4* C5*
48
1 2 H3* O3* C3* C4*
49
1 2 H2* O2* C2* C3*
50
1 2 H3 N3 C4 C4A
51
GLN 2
52
1 1 H N -C CA
53
2 3 HE2 NE2 CD CG
54
GLU 1
55
1 1 H N -C CA
56
GLUH 2
57
1 1 H N -C CA
58
1 2 HE2 OE2 CD CG
59
GLY 1
60
1 1 H N -C CA
61
HEME 4
62
1 1 HHA CHA C1A C4D
63
1 1 HHB CHB C1B C4A
64
1 1 HHC CHC C1C C4B
65
1 1 HHD CHD C1D C4C
66
HIS1 2
67
1 1 H N -C CA
68
1 1 HD1 ND1 CG CE1
69
HISA 2
70
1 1 H N -C CA
71
1 1 HD1 ND1 CG CE1
72
HISB 2
73
1 1 H N -C CA
74
1 1 HE2 NE2 CE1 CD2
75
HISH 3
76
1 1 H N -C CA
77
1 1 HD1 ND1 CG CE1
78
1 1 HE2 NE2 CE1 CD2
79
HOH 1
80
2 7 HW OW
81
HYP 1
82
1 2 HD1 OD1 CG CB
83
ILE 1
84
1 1 H N -C CA
85
LEU 1
86
1 1 H N -C CA
87
LYS 2
88
1 1 H N -C CA
89
2 4 HZ NZ CE CD
90
LYSH 2
91
1 1 H N -C CA
92
3 4 HZ NZ CE CD
93
MET 1
94
1 1 H N -C CA
95
NAC 1
96
1 1 H N -C CA
97
NACH 2
98
1 1 H N -C CA
99
3 4 HA CA N NH
100
NH2 1
101
2 3 H N -C -CA
102
PHE 6
103
1 1 H N -C CA
104
1 1 HD1 CD1 CG CE1
105
1 1 HD2 CD2 CG CE2
106
1 1 HE1 CE1 CD1 CZ
107
1 1 HE2 CE2 CD2 CZ
108
1 1 HZ CZ CE1 CE2
109
PHEU 1
110
1 1 H N -C CA
111
PHL 7
112
1 1 H N -C CA
113
1 1 HD1 CD1 CG CE1
114
1 1 HD2 CD2 CG CE2
115
1 1 HE1 CE1 CD1 CZ
116
1 1 HE2 CE2 CD2 CZ
117
1 1 HZ CZ CE1 CE2
118
1 2 HY OY CX CA
119
SER 2
120
1 1 H N -C CA
121
1 2 HG OG CB CA
122
TFE 1
123
1 2 H O CH2 C
124
THR 2
125
1 1 H N -C CA
126
1 2 HG1 OG1 CB CA
127
TRP 7
128
1 1 H N -C CA
129
1 1 HD1 CD1 CG NE1
130
1 1 HE1 NE1 CD1 CE2
131
1 1 HE3 CE3 CD2 CZ3
132
1 1 HZ3 CZ3 CE3 CH2
133
1 1 HH2 CH2 CZ3 CZ2
134
1 1 HZ2 CZ2 CE2 CH2
135
TRPU 2
136
1 1 H N -C CA
137
1 1 HE1 NE1 CD1 CE2
138
TYR 6
139
1 1 H N -C CA
140
1 1 HD1 CD1 CG CE1
141
1 1 HD2 CD2 CG CE2
142
1 1 HE1 CE1 CD1 CZ
143
1 1 HE2 CE2 CD2 CZ
144
1 2 HH OH CZ CE1
145
TYRU 2
146
1 1 H N -C CA
147
1 2 HH OH CZ CE1
148
VAL 1
149
1 1 H N -C CA