NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
144297 |
2kgf   |
cing | 2-parsed | STAR | dipolar coupling |
data_2kgf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kgf
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2kgf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kgf
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2kgf "Master copy" parsed_2kgf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kgf
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2kgf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kgf 1
1 2kgf.mr . . XPLOR/CNS 2 distance NOE ambi 2246 parsed_2kgf 1
1 2kgf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 214 parsed_2kgf 1
1 2kgf.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 124 parsed_2kgf 1
1 2kgf.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kgf 1
1 2kgf.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kgf 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kgf
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
assign (resid 3 and name N )
(resid 3 and name HN ) -11.98 1.25
;
2 1 3 36 parsed_2kgf 1
2
;
assign (resid 5 and name N )
(resid 5 and name HN ) -0.02 1.25
;
4 1 5 35 parsed_2kgf 1
3
;
assign (resid 6 and name N )
(resid 6 and name HN ) -2.46 1.25
;
6 1 7 35 parsed_2kgf 1
4
;
assign (resid 7 and name N )
(resid 7 and name HN ) 1.01 1.25
;
8 1 9 34 parsed_2kgf 1
5
;
assign (resid 11 and name N )
(resid 11 and name HN ) 3.21 1.25
;
10 1 11 35 parsed_2kgf 1
6
;
assign (resid 12 and name N )
(resid 12 and name HN ) 0.74 1.25
;
12 1 13 35 parsed_2kgf 1
7
;
assign (resid 13 and name N )
(resid 13 and name HN ) -2.09 1.25
;
14 1 15 36 parsed_2kgf 1
8
;
assign (resid 24 and name N )
(resid 24 and name HN ) 7.42 1.25
;
16 1 17 35 parsed_2kgf 1
9
;
assign (resid 25 and name N )
(resid 25 and name HN ) 11.38 1.25
;
18 1 19 36 parsed_2kgf 1
10
;
assign (resid 27 and name N )
(resid 27 and name HN ) 8.46 1.25
;
20 1 21 35 parsed_2kgf 1
11
;
assign (resid 31 and name N )
(resid 31 and name HN ) 7.39 1.25
;
22 1 23 35 parsed_2kgf 1
12
;
assign (resid 32 and name N )
(resid 32 and name HN ) 9.65 1.25
;
24 1 25 35 parsed_2kgf 1
13
;
assign (resid 33 and name N )
(resid 33 and name HN ) 11.01 1.25
;
26 1 27 36 parsed_2kgf 1
14
;
assign (resid 41 and name N )
(resid 41 and name HN ) 15.03 1.25
;
28 1 29 36 parsed_2kgf 1
15
;
assign (resid 46 and name N )
(resid 46 and name HN ) 8.56 1.25
;
30 1 31 35 parsed_2kgf 1
16
;
assign (resid 47 and name N )
(resid 47 and name HN ) 13.35 1.25
;
32 1 33 36 parsed_2kgf 1
17
;
assign (resid 57 and name N )
(resid 57 and name HN ) 10.66 1.25
;
34 1 35 36 parsed_2kgf 1
18
;
assign (resid 60 and name N )
(resid 60 and name HN ) 11.12 1.25
;
36 1 37 36 parsed_2kgf 1
19
;
assign (resid 63 and name N )
(resid 63 and name HN ) 11.53 1.25
;
38 1 39 36 parsed_2kgf 1
20
;
assign (resid 64 and name N )
(resid 64 and name HN ) 5.16 1.25
;
40 1 41 35 parsed_2kgf 1
21
;
assign (resid 72 and name N )
(resid 72 and name HN ) 3.21 1.25
;
42 1 43 35 parsed_2kgf 1
22
;
assign (resid 78 and name N )
(resid 78 and name HN ) -1.20 1.25
;
44 1 45 36 parsed_2kgf 1
23
;
assign (resid 81 and name N )
(resid 81 and name HN ) 3.00 1.25
;
46 1 47 35 parsed_2kgf 1
24
;
assign (resid 86 and name N )
(resid 86 and name HN ) 3.77 1.25
;
48 1 49 35 parsed_2kgf 1
25
;
assign (resid 88 and name N )
(resid 88 and name HN ) 3.06 1.25
;
50 1 51 35 parsed_2kgf 1
26
;
assign (resid 120 and name N )
(resid 120 and name HN ) 10.66 1.25
;
52 1 53 37 parsed_2kgf 1
27
;
assign (resid 121 and name N )
(resid 121 and name HN ) 13.53 1.25
;
54 1 55 37 parsed_2kgf 1
28
;
assign (resid 123 and name N )
(resid 123 and name HN ) 11.52 1.25
;
56 1 57 37 parsed_2kgf 1
29
;
assign (resid 124 and name N )
(resid 124 and name HN ) 16.79 1.25
;
58 1 59 37 parsed_2kgf 1
30
;
assign (resid 129 and name N )
(resid 129 and name HN ) 8.16 1.25
;
60 1 61 36 parsed_2kgf 1
31
;
assign (resid 130 and name N )
(resid 130 and name HN ) 14.65 1.25
;
62 1 63 37 parsed_2kgf 1
32
;
assign (resid 43 and name N )
(resid 43 and name HN ) 11.98 1.25
;
64 1 65 36 parsed_2kgf 1
33
;
assign (resid 85 and name N )
(resid 85 and name HN ) -0.44 1.25
;
66 1 67 36 parsed_2kgf 1
34
;
assign (resid 89 and name N )
(resid 89 and name HN ) -0.96 1.25
;
68 1 69 36 parsed_2kgf 1
35
;
assign (resid 127 and name N )
(resid 127 and name HN ) 14.57 1.25
;
70 1 71 37 parsed_2kgf 1
36
;
assign (resid 128 and name N )
(resid 128 and name HN ) 13.59 1.25
;
72 1 73 37 parsed_2kgf 1
37
;
assign (resid 131 and name N )
(resid 131 and name HN ) 10.95 1.25
;
74 1 75 37 parsed_2kgf 1
38
;
assign (resid 6 and name N )
(resid 5 and name C ) 0.30 4.14
;
76 1 77 33 parsed_2kgf 1
39
;
assign (resid 11 and name N )
(resid 10 and name C ) -14.51 4.14
;
78 1 79 36 parsed_2kgf 1
40
;
assign (resid 12 and name N )
(resid 11 and name C ) 10.46 4.14
;
80 1 81 35 parsed_2kgf 1
41
;
assign (resid 25 and name N )
(resid 24 and name C ) 0.54 4.14
;
82 1 83 34 parsed_2kgf 1
42
;
assign (resid 27 and name N )
(resid 26 and name C ) 4.35 4.14
;
84 1 85 34 parsed_2kgf 1
43
;
assign (resid 29 and name N )
(resid 28 and name C ) 1.83 4.14
;
86 1 87 34 parsed_2kgf 1
44
;
assign (resid 30 and name N )
(resid 29 and name C ) -5.87 4.14
;
88 1 89 35 parsed_2kgf 1
45
;
assign (resid 31 and name N )
(resid 30 and name C ) -2.75 4.14
;
90 1 91 35 parsed_2kgf 1
46
;
assign (resid 32 and name N )
(resid 31 and name C ) -0.90 4.14
;
92 1 93 35 parsed_2kgf 1
47
;
assign (resid 33 and name N )
(resid 32 and name C ) -7.69 4.14
;
94 1 95 35 parsed_2kgf 1
48
;
assign (resid 41 and name N )
(resid 40 and name C ) -4.78 4.14
;
96 1 97 35 parsed_2kgf 1
49
;
assign (resid 47 and name N )
(resid 46 and name C ) 2.16 4.14
;
98 1 99 34 parsed_2kgf 1
50
;
assign (resid 57 and name N )
(resid 56 and name C ) -7.94 4.14
;
100 1 101 35 parsed_2kgf 1
51
;
assign (resid 60 and name N )
(resid 59 and name C ) 11.09 4.14
;
102 1 103 35 parsed_2kgf 1
52
;
assign (resid 64 and name N )
(resid 63 and name C ) 5.17 4.14
;
104 1 105 34 parsed_2kgf 1
53
;
assign (resid 65 and name N )
(resid 64 and name C ) -7.35 4.14
;
106 1 107 35 parsed_2kgf 1
54
;
assign (resid 81 and name N )
(resid 80 and name C ) 2.28 4.14
;
108 1 109 34 parsed_2kgf 1
55
;
assign (resid 88 and name N )
(resid 87 and name C ) -4.32 4.14
;
110 1 111 35 parsed_2kgf 1
56
;
assign (resid 90 and name N )
(resid 89 and name C ) -1.29 4.14
;
112 1 113 35 parsed_2kgf 1
57
;
assign (resid 120 and name N )
(resid 119 and name C ) -10.91 4.14
;
114 1 115 37 parsed_2kgf 1
58
;
assign (resid 121 and name N )
(resid 120 and name C ) 8.37 4.14
;
116 1 117 35 parsed_2kgf 1
59
;
assign (resid 130 and name N )
(resid 129 and name C ) 4.31 4.14
;
118 1 119 35 parsed_2kgf 1
60
;
assign (resid 3 and name HN )
(resid 2 and name C ) 1.91 1.67
;
120 1 121 33 parsed_2kgf 1
61
;
assign (resid 5 and name HN )
(resid 4 and name C ) 0.67 1.67
;
122 1 123 33 parsed_2kgf 1
62
;
assign (resid 12 and name HN )
(resid 11 and name C ) 3.95 1.67
;
124 1 125 34 parsed_2kgf 1
63
;
assign (resid 13 and name HN )
(resid 12 and name C ) 2.81 1.67
;
126 1 127 34 parsed_2kgf 1
64
;
assign (resid 24 and name HN )
(resid 23 and name C ) -6.09 1.67
;
128 1 129 35 parsed_2kgf 1
65
;
assign (resid 25 and name HN )
(resid 24 and name C ) 6.61 1.67
;
130 1 131 34 parsed_2kgf 1
66
;
assign (resid 27 and name HN )
(resid 26 and name C ) 10.29 1.67
;
132 1 133 35 parsed_2kgf 1
67
;
assign (resid 29 and name HN )
(resid 28 and name C ) 4.75 1.67
;
134 1 135 34 parsed_2kgf 1
68
;
assign (resid 30 and name HN )
(resid 29 and name C ) 4.38 1.67
;
136 1 137 34 parsed_2kgf 1
69
;
assign (resid 31 and name HN )
(resid 30 and name C ) 0.42 1.67
;
138 1 139 34 parsed_2kgf 1
70
;
assign (resid 32 and name HN )
(resid 31 and name C ) 0.55 1.67
;
140 1 141 34 parsed_2kgf 1
71
;
assign (resid 33 and name HN )
(resid 32 and name C ) 3.37 1.67
;
142 1 143 34 parsed_2kgf 1
72
;
assign (resid 41 and name HN )
(resid 40 and name C ) 5.39 1.67
;
144 1 145 34 parsed_2kgf 1
73
;
assign (resid 47 and name HN )
(resid 46 and name C ) 4.33 1.67
;
146 1 147 34 parsed_2kgf 1
74
;
assign (resid 57 and name HN )
(resid 56 and name C ) -1.28 1.67
;
148 1 149 35 parsed_2kgf 1
75
;
assign (resid 60 and name HN )
(resid 59 and name C ) 11.91 1.67
;
150 1 151 35 parsed_2kgf 1
76
;
assign (resid 64 and name HN )
(resid 63 and name C ) 3.21 1.67
;
152 1 153 34 parsed_2kgf 1
77
;
assign (resid 65 and name HN )
(resid 64 and name C ) 4.16 1.67
;
154 1 155 34 parsed_2kgf 1
78
;
assign (resid 81 and name HN )
(resid 80 and name C ) 3.30 1.67
;
156 1 157 34 parsed_2kgf 1
79
;
assign (resid 86 and name HN )
(resid 85 and name C ) -10.07 1.67
;
158 1 159 36 parsed_2kgf 1
80
;
assign (resid 90 and name HN )
(resid 89 and name C ) 3.55 1.67
;
160 1 161 34 parsed_2kgf 1
81
;
assign (resid 103 and name HN )
(resid 102 and name C ) 10.15 1.67
;
162 1 163 36 parsed_2kgf 1
82
;
assign (resid 104 and name HN )
(resid 103 and name C ) 2.21 1.67
;
164 1 165 35 parsed_2kgf 1
83
;
assign (resid 105 and name HN )
(resid 104 and name C ) -7.68 1.67
;
166 1 167 36 parsed_2kgf 1
84
;
assign (resid 120 and name HN )
(resid 119 and name C ) 4.37 1.67
;
168 1 169 35 parsed_2kgf 1
85
;
assign (resid 129 and name HN )
(resid 128 and name C ) -0.61 1.67
;
170 1 171 36 parsed_2kgf 1
86
;
assign (resid 130 and name HN )
(resid 129 and name C ) 5.81 1.67
;
172 1 173 35 parsed_2kgf 1
87
;
assign (resid 17 and name N )
(resid 17 and name HN ) -10.20 1.25
;
174 1 175 37 parsed_2kgf 1
88
;
assign (resid 35 and name N )
(resid 35 and name HN ) -3.31 1.25
;
176 1 177 36 parsed_2kgf 1
89
;
assign (resid 53 and name N )
(resid 53 and name HN ) -7.58 1.25
;
178 1 179 36 parsed_2kgf 1
90
;
assign (resid 67 and name N )
(resid 67 and name HN ) -7.32 1.25
;
180 1 181 36 parsed_2kgf 1
91
;
assign (resid 17 and name HN )
(resid 16 and name C ) -1.37 1.67
;
182 1 183 35 parsed_2kgf 1
92
;
assign (resid 35 and name HN )
(resid 34 and name C ) -8.80 1.67
;
184 1 185 35 parsed_2kgf 1
93
;
assign (resid 53 and name HN )
(resid 52 and name C ) 3.60 1.67
;
186 1 187 34 parsed_2kgf 1
94
;
assign (resid 67 and name HN )
(resid 66 and name C ) 7.77 1.67
;
188 1 189 34 parsed_2kgf 1
95
;
assign (resid 17 and name N )
(resid 16 and name C ) 11.42 4.14
;
190 1 191 35 parsed_2kgf 1
96
;
assign (resid 35 and name N )
(resid 34 and name C ) -10.26 4.14
;
192 1 193 36 parsed_2kgf 1
97
;
assign (resid 53 and name N )
(resid 52 and name C ) 1.65 4.14
;
194 1 195 34 parsed_2kgf 1
98
;
assign (resid 67 and name N )
(resid 66 and name C ) 16.88 4.14
;
196 1 197 35 parsed_2kgf 1
99
;
assign (resid 2 and name N )
(resid 2 and name HN ) -5.01 1.25
;
198 1 199 35 parsed_2kgf 1
100
;
assign (resid 10 and name N )
(resid 10 and name HN ) 2.71 1.25
;
200 1 201 35 parsed_2kgf 1
101
;
assign (resid 16 and name N )
(resid 16 and name HN ) -6.48 1.25
;
202 1 203 36 parsed_2kgf 1
102
;
assign (resid 20 and name N )
(resid 20 and name HN ) -13.79 1.25
;
204 1 205 37 parsed_2kgf 1
103
;
assign (resid 23 and name N )
(resid 23 and name HN ) 8.88 1.25
;
206 1 207 35 parsed_2kgf 1
104
;
assign (resid 29 and name N )
(resid 29 and name HN ) 16.31 1.25
;
208 1 209 36 parsed_2kgf 1
105
;
assign (resid 30 and name N )
(resid 30 and name HN ) 13.02 1.25
;
210 1 211 36 parsed_2kgf 1
106
;
assign (resid 36 and name N )
(resid 36 and name HN ) -0.66 1.25
;
212 1 213 36 parsed_2kgf 1
107
;
assign (resid 37 and name N )
(resid 37 and name HN ) 10.68 1.25
;
214 1 215 36 parsed_2kgf 1
108
;
assign (resid 38 and name N )
(resid 38 and name HN ) -14.27 1.25
;
216 1 217 37 parsed_2kgf 1
109
;
assign (resid 44 and name N )
(resid 44 and name HN ) 18.57 1.25
;
218 1 219 36 parsed_2kgf 1
110
;
assign (resid 50 and name N )
(resid 50 and name HN ) 5.78 1.25
;
220 1 221 35 parsed_2kgf 1
111
;
assign (resid 51 and name N )
(resid 51 and name HN ) 6.96 1.25
;
222 1 223 35 parsed_2kgf 1
112
;
assign (resid 54 and name N )
(resid 54 and name HN ) -1.51 1.25
;
224 1 225 36 parsed_2kgf 1
113
;
assign (resid 66 and name N )
(resid 66 and name HN ) 4.66 1.25
;
226 1 227 35 parsed_2kgf 1
114
;
assign (resid 70 and name N )
(resid 70 and name HN ) 0.05 1.25
;
228 1 229 35 parsed_2kgf 1
115
;
assign (resid 90 and name N )
(resid 90 and name HN ) 13.08 1.25
;
230 1 231 36 parsed_2kgf 1
116
;
assign (resid 91 and name N )
(resid 91 and name HN ) 13.02 1.25
;
232 1 233 36 parsed_2kgf 1
117
;
assign (resid 94 and name N )
(resid 94 and name HN ) 11.23 1.25
;
234 1 235 36 parsed_2kgf 1
118
;
assign (resid 97 and name N )
(resid 97 and name HN ) 2.32 1.25
;
236 1 237 35 parsed_2kgf 1
119
;
assign (resid 99 and name N )
(resid 99 and name HN ) 6.92 1.25
;
238 1 239 35 parsed_2kgf 1
120
;
assign (resid 102 and name N )
(resid 102 and name HN ) 6.90 1.25
;
240 1 241 36 parsed_2kgf 1
121
;
assign (resid 108 and name N )
(resid 108 and name HN ) -1.42 1.25
;
242 1 243 37 parsed_2kgf 1
122
;
assign (resid 109 and name N )
(resid 109 and name HN ) 4.65 1.25
;
244 1 245 36 parsed_2kgf 1
123
;
assign (resid 112 and name N )
(resid 112 and name HN ) -2.66 1.25
;
246 1 247 37 parsed_2kgf 1
124
;
assign (resid 114 and name N )
(resid 114 and name HN ) -14.75 1.25
;
248 1 249 38 parsed_2kgf 1
125
;
assign (resid 116 and name N )
(resid 116 and name HN ) 1.39 1.25
;
250 1 251 36 parsed_2kgf 1
126
;
assign (resid 119 and name N )
(resid 119 and name HN ) 2.08 1.25
;
252 1 253 36 parsed_2kgf 1
127
;
assign (resid 134 and name N )
(resid 134 and name HN ) 7.80 1.25
;
254 1 255 36 parsed_2kgf 1
128
;
assign (resid 137 and name N )
(resid 137 and name HN ) -1.47 1.25
;
256 1 257 37 parsed_2kgf 1
129
;
assign (resid 138 and name N )
(resid 138 and name HN ) 1.30 1.25
;
258 1 259 36 parsed_2kgf 1
130
;
assign (resid 140 and name N )
(resid 140 and name HN ) 3.91 1.25
;
260 1 261 36 parsed_2kgf 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 3:40:35 AM GMT (wattos1)