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Add initial support for python bindings
[alexxy/gromacs.git]
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random.dat
1
GLY H 8.39
2
GLY 1HA 3.97
3
GLY 2HA 3.97
4
GLY HA1 3.97
5
GLY HA2 3.97
6
ALA H 8.25
7
ALA HA 4.35
8
ALA 1HB 1.40
9
ALA HB1 1.40
10
VAL H 8.44
11
VAL HA 4.18
12
VAL HB 2.13
13
VAL 1HG1 0.96
14
VAL 1HG2 0.96
15
VAL HG11 0.96
16
VAL HG21 0.96
17
ILE H 8.20
18
ILE HA 4.22
19
ILE HB 1.89
20
ILE 1HG2 0.94
21
ILE HG21 0.94
22
ILE 1HG1 1.30
23
ILE HG11 1.30
24
ILE 1HD1 0.89
25
ILE HD11 0.89
26
LEU H 8.42
27
LEU HA 4.39
28
LEU 1HB 1.65
29
LEU 2HB 1.65
30
LEU HB1 1.65
31
LEU HB2 1.65
32
LEU HG 1.65
33
LEU 1HD1 0.92
34
LEU HD11 0.92
35
LEU 1HD2 0.92
36
LEU HD21 0.92
37
SER H 8.38
38
SER HA 4.50
39
SER 1HB 3.89
40
SER 2HB 3.89
41
SER HB1 3.89
42
SER HB2 3.89
43
THR H 8.24
44
THR HA 4.35
45
THR HB 4.22
46
THR 1HG2 1.23
47
THR HG21 1.23
48
ASP H 8.41
49
ASP HA 4.77
50
ASP 1HB 2.80
51
ASP 2HB 2.80
52
ASP HB1 2.80
53
ASP HB2 2.80
54
GLU H 8.37
55
GLU HA 4.30
56
GLU 1HB 2.03
57
GLU 2HB 2.03
58
GLU HB1 2.03
59
GLU HB2 2.03
60
GLU 1HG 2.30
61
GLU 2HG 2.30
62
GLU HG1 2.30
63
GLU HG2 2.30
64
LYS H 8.41
65
LYS HA 4.36
66
LYS 1HB 1.81
67
LYS 2HB 1.81
68
LYS HB1 1.81
69
LYS HB2 1.81
70
LYS 1HG 1.47
71
LYS 2HG 1.47
72
LYS HG1 1.47
73
LYS HG2 1.47
74
LYS 1HD 1.71
75
LYS 2HD 1.71
76
LYS HD1 1.71
77
LYS HD2 1.71
78
LYS 1HE 3.02
79
LYS 2HE 3.02
80
LYS HE1 3.02
81
LYS HE2 3.02
82
ARG H 8.27
83
ARG HA 4.40
84
ARG 1HB 1.85
85
ARG 2HB 1.85
86
ARG HB1 1.85
87
ARG HB2 1.85
88
ARG 1HG 1.72
89
ARG 2HG 1.72
90
ARG HG1 1.72
91
ARG HG2 1.72
92
ARG 1HD 3.31
93
ARG 2HD 3.31
94
ARG HD1 3.31
95
ARG HD2 3.31
96
ASN H 8.75
97
ASN HA 4.76
98
ASN 1HB 2.80
99
ASN 2HB 2.80
100
ASN HB1 2.80
101
ASN HB2 2.80
102
GLN H 8.41
103
GLN HA 4.37
104
GLN 1HB 2.08
105
GLN 2HB 2.08
106
GLN HB1 2.08
107
GLN HB2 2.08
108
GLN 1HG 2.38
109
GLN 2HG 2.38
110
GLN HG1 2.38
111
GLN HG2 2.38
112
MET H 8.42
113
MET HA 4.51
114
MET 1HB 2.08
115
MET 2HB 2.08
116
MET HB1 2.08
117
MET HB2 2.08
118
MET 1HG 2.63
119
MET 2HG 2.63
120
MET HG1 2.63
121
MET HG2 2.63
122
MET 1HE 2.13
123
MET HE1 2.13
124
CYS H 8.31
125
CYS HA 4.69
126
CYS 1HB 3.16
127
CYS 2HB 3.16
128
CYS HB1 3.16
129
CYS HB2 3.16
130
TRP H 8.09
131
TRP HA 4.70
132
TRP 1HB 3.26
133
TRP 2HB 3.26
134
TRP HB1 3.26
135
TRP HB2 3.26
136
TRP HE1 9.99
137
TRP HD1 7.24
138
TRP HE3 7.65
139
TRP HZ3 7.17
140
TRP HH2 7.24
141
TRP HZ2 7.50
142
PHE H 8.23
143
PHE HA 4.66
144
PHE 1HB 3.11
145
PHE 2HB 3.11
146
PHE HB1 3.11
147
PHE HB2 3.11
148
PHE HD1 7.34
149
PHE HE1 7.34
150
PHE HZ 7.34
151
TYR H 8.18
152
TYR HA 4.60
153
TYR 1HB 3.02
154
TYR 2HB 3.02
155
TYR HB1 3.02
156
TYR HB2 3.02
157
TYR HD1 7.15
158
TYR HE1 6.86
159
HIS H 8.42
160
HIS HA 4.63
161
HIS 1HB 3.23
162
HIS 2HB 3.23
163
HIS HB1 3.23
164
HIS HB2 3.23
165
HIS HE1 8.12
166
HIS HD1 7.14
167
PRO HA 4.47
168
PRO 1HB 2.16
169
PRO 2HB 2.16
170
PRO HB1 2.16
171
PRO HB2 2.16
172
PRO 1HG 2.03
173
PRO 2HG 2.03
174
PRO HG1 2.03
175
PRO HG2 2.03
176
PRO 1HD 3.65
177
PRO 2HD 3.65
178
PRO HD1 3.65
179
PRO HD2 3.65
180
181