NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
617605 |
5mww   |
34089 | cing | 2-parsed | STAR | dipolar coupling |
data_5mww_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5mww
_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_5mww 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5mww
_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 5mww "Master copy" parsed_5mww
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5mww
_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 5mww.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5mww 1
1 5mww.mr . . XPLOR/CNS 2 distance NOE simple 1886 parsed_5mww 1
1 5mww.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_5mww 1
1 5mww.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_5mww 1
1 5mww.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5mww 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5mww
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 "# Restraints file 3: rdcs.tbl" 1 1 1 29 parsed_5mww 1
2
;
assign (resid 11 and name N
(resid 11 and name HN ) -4.081 0.158
;
19 1 20 45 parsed_5mww 1
3
;
assign (resid 12 and name N
(resid 12 and name HN ) 1.370 0.171
;
22 1 23 44 parsed_5mww 1
4
;
assign (resid 13 and name N
(resid 13 and name HN ) 5.133 0.188
;
25 1 26 44 parsed_5mww 1
5
;
assign (resid 14 and name N
(resid 14 and name HN ) 2.230 0.134
;
28 1 29 44 parsed_5mww 1
6
;
assign (resid 15 and name N
(resid 15 and name HN ) -1.200 0.077
;
31 1 32 45 parsed_5mww 1
7
;
assign (resid 16 and name N
(resid 16 and name HN ) -0.010 0.118
;
34 1 35 45 parsed_5mww 1
8
;
assign (resid 18 and name N
(resid 18 and name HN ) 1.340 0.071
;
37 1 38 44 parsed_5mww 1
9
;
assign (resid 19 and name N
(resid 19 and name HN ) 1.400 0.132
;
40 1 41 44 parsed_5mww 1
10
;
assign (resid 20 and name N
(resid 20 and name HN ) 5.430 0.349
;
43 1 44 44 parsed_5mww 1
11
;
assign (resid 21 and name N
(resid 21 and name HN ) 8.290 0.148
;
46 1 47 44 parsed_5mww 1
12
;
assign (resid 22 and name N
(resid 22 and name HN ) 2.373 0.096
;
49 1 50 44 parsed_5mww 1
13
;
assign (resid 23 and name N
(resid 23 and name HN ) 3.412 0.178
;
52 1 53 44 parsed_5mww 1
14
;
assign (resid 24 and name N
(resid 24 and name HN ) 8.360 0.160
;
55 1 56 44 parsed_5mww 1
15
;
assign (resid 25 and name N
(resid 25 and name HN ) 5.590 0.162
;
58 1 59 44 parsed_5mww 1
16
;
assign (resid 26 and name N
(resid 26 and name HN ) 2.442 0.165
;
61 1 62 44 parsed_5mww 1
17
;
assign (resid 34 and name N
(resid 34 and name HN ) 9.070 0.176
;
64 1 65 44 parsed_5mww 1
18
;
assign (resid 36 and name N
(resid 36 and name HN ) 5.770 0.089
;
67 1 68 44 parsed_5mww 1
19
;
assign (resid 37 and name N
(resid 37 and name HN ) 7.070 0.121
;
70 1 71 44 parsed_5mww 1
20
;
assign (resid 51 and name N
(resid 51 and name HN ) -2.970 0.159
;
73 1 74 45 parsed_5mww 1
21
;
assign (resid 52 and name N
(resid 52 and name HN ) -3.590 0.225
;
76 1 77 45 parsed_5mww 1
22
;
assign (resid 53 and name N
(resid 53 and name HN ) -1.300 0.087
;
79 1 80 45 parsed_5mww 1
23
;
assign (resid 54 and name N
(resid 54 and name HN ) -0.480 0.112
;
82 1 83 45 parsed_5mww 1
24
;
assign (resid 55 and name N
(resid 55 and name HN ) -2.660 0.295
;
85 1 86 45 parsed_5mww 1
25
;
assign (resid 56 and name N
(resid 56 and name HN ) -2.743 0.160
;
88 1 89 45 parsed_5mww 1
26
;
assign (resid 57 and name N
(resid 57 and name HN ) 0.670 0.182
;
91 1 92 44 parsed_5mww 1
27
;
assign (resid 58 and name N
(resid 58 and name HN ) -2.570 0.273
;
94 1 95 45 parsed_5mww 1
28
;
assign (resid 12 and name C
(resid 12 and name CA ) 10.734 2.328
;
97 1 98 45 parsed_5mww 1
29
;
assign (resid 14 and name C
(resid 14 and name CA ) 10.785 3.164
;
100 1 101 45 parsed_5mww 1
30
;
assign (resid 15 and name C
(resid 15 and name CA ) 2.167 2.502
;
103 1 104 44 parsed_5mww 1
31
;
assign (resid 16 and name C
(resid 16 and name CA ) -3.225 2.971
;
106 1 107 45 parsed_5mww 1
32
;
assign (resid 17 and name C
(resid 17 and name CA ) 1.058 2.422
;
109 1 110 44 parsed_5mww 1
33
;
assign (resid 18 and name C
(resid 18 and name CA ) 25.853 2.936
;
112 1 113 45 parsed_5mww 1
34
;
assign (resid 19 and name C
(resid 19 and name CA ) 3.225 2.779
;
115 1 116 44 parsed_5mww 1
35
;
assign (resid 21 and name C
(resid 21 and name CA ) 1.008 2.476
;
118 1 119 44 parsed_5mww 1
36
;
assign (resid 23 and name C
(resid 23 and name CA ) 1.109 2.946
;
121 1 122 44 parsed_5mww 1
37
;
assign (resid 25 and name C
(resid 25 and name CA ) 3.225 1.980
;
124 1 125 44 parsed_5mww 1
38
;
assign (resid 26 and name C
(resid 26 and name CA ) 12.901 1.381
;
127 1 128 45 parsed_5mww 1
39
;
assign (resid 34 and name C
(resid 34 and name CA ) 3.276 2.039
;
130 1 131 44 parsed_5mww 1
40
;
assign (resid 35 and name C
(resid 35 and name CA ) 5.392 2.420
;
133 1 134 44 parsed_5mww 1
41
;
assign (resid 36 and name C
(resid 36 and name CA ) 6.501 2.532
;
136 1 137 44 parsed_5mww 1
42
;
assign (resid 38 and name C
(resid 38 and name CA ) -3.276 1.905
;
139 1 140 45 parsed_5mww 1
43
;
assign (resid 51 and name C
(resid 51 and name CA ) 20.461 3.144
;
142 1 143 45 parsed_5mww 1
44
;
assign (resid 52 and name C
(resid 52 and name CA ) 2.167 2.679
;
145 1 146 44 parsed_5mww 1
45
;
assign (resid 54 and name C
(resid 54 and name CA ) -5.342 3.070
;
148 1 149 45 parsed_5mww 1
46
;
assign (resid 55 and name C
(resid 55 and name CA ) -5.392 4.013
;
151 1 152 45 parsed_5mww 1
47
;
assign (resid 56 and name C
(resid 56 and name CA ) -16.177 4.757
;
154 1 155 46 parsed_5mww 1
48
;
assign (resid 57 and name C
(resid 57 and name CA ) -10.734 2.328
;
157 1 158 46 parsed_5mww 1
49
;
assign (resid 58 and name C
(resid 58 and name CA ) 5.392 2.391
;
160 1 161 44 parsed_5mww 1
50
;
assign (resid 12 and name N
(resid 11 and name C ) -3.508 1.082
;
163 1 164 44 parsed_5mww 1
51
;
assign (resid 13 and name N
(resid 12 and name C ) 1.878 1.726
;
166 1 167 43 parsed_5mww 1
52
;
assign (resid 14 and name N
(resid 13 and name C ) 4.228 0.977
;
169 1 170 43 parsed_5mww 1
53
;
assign (resid 16 and name N
(resid 15 and name C ) -3.318 1.407
;
172 1 173 44 parsed_5mww 1
54
;
assign (resid 18 and name N
(resid 17 and name C ) -4.956 0.898
;
175 1 176 44 parsed_5mww 1
55
;
assign (resid 20 and name N
(resid 19 and name C ) -1.489 2.778
;
178 1 179 44 parsed_5mww 1
56
;
assign (resid 21 and name N
(resid 20 and name C ) 6.122 1.843
;
181 1 182 43 parsed_5mww 1
57
;
assign (resid 22 and name N
(resid 21 and name C ) -3.458 0.793
;
184 1 185 44 parsed_5mww 1
58
;
assign (resid 23 and name N
(resid 22 and name C ) -0.860 1.086
;
187 1 188 44 parsed_5mww 1
59
;
assign (resid 24 and name N
(resid 23 and name C ) 0.670 0.960
;
190 1 191 43 parsed_5mww 1
60
;
assign (resid 25 and name N
(resid 24 and name C ) -1.084 1.889
;
193 1 194 44 parsed_5mww 1
61
;
assign (resid 35 and name N
(resid 34 and name C ) -9.432 1.267
;
196 1 197 44 parsed_5mww 1
62
;
assign (resid 36 and name N
(resid 35 and name C ) -4.501 0.598
;
199 1 200 44 parsed_5mww 1
63
;
assign (resid 37 and name N
(resid 36 and name C ) -5.030 1.076
;
202 1 203 44 parsed_5mww 1
64
;
assign (resid 51 and name N
(resid 50 and name C ) 0.587 1.397
;
205 1 206 43 parsed_5mww 1
65
;
assign (resid 52 and name N
(resid 51 and name C ) 3.533 2.096
;
208 1 209 43 parsed_5mww 1
66
;
assign (resid 53 and name N
(resid 52 and name C ) -6.453 0.746
;
211 1 212 44 parsed_5mww 1
67
;
assign (resid 55 and name N
(resid 54 and name C ) -2.449 2.335
;
214 1 215 44 parsed_5mww 1
68
;
assign (resid 56 and name N
(resid 55 and name C ) 0.256 1.380
;
217 1 218 43 parsed_5mww 1
69
;
assign (resid 57 and name N
(resid 56 and name C ) -1.597 1.781
;
220 1 221 44 parsed_5mww 1
70
;
assign (resid 58 and name N
(resid 57 and name C ) -0.124 2.800
;
223 1 224 44 parsed_5mww 1
71
;
assign (resid 12 and name HN
(resid 11 and name C ) -4.851 0.829
;
226 1 227 44 parsed_5mww 1
72
;
assign (resid 13 and name HN
(resid 12 and name C ) 2.627 0.845
;
229 1 230 43 parsed_5mww 1
73
;
assign (resid 16 and name HN
(resid 15 and name C ) -3.601 0.791
;
232 1 233 44 parsed_5mww 1
74
;
assign (resid 20 and name HN
(resid 19 and name C ) -0.949 1.668
;
235 1 236 44 parsed_5mww 1
75
;
assign (resid 22 and name HN
(resid 21 and name C ) -0.912 0.541
;
238 1 239 44 parsed_5mww 1
76
;
assign (resid 23 and name HN
(resid 22 and name C ) -5.955 0.910
;
241 1 242 44 parsed_5mww 1
77
;
assign (resid 24 and name HN
(resid 23 and name C ) 2.878 0.720
;
244 1 245 43 parsed_5mww 1
78
;
assign (resid 25 and name HN
(resid 24 and name C ) 3.136 1.132
;
247 1 248 43 parsed_5mww 1
79
;
assign (resid 35 and name HN
(resid 34 and name C ) -4.212 0.556
;
250 1 251 44 parsed_5mww 1
80
;
assign (resid 37 and name HN
(resid 36 and name C ) -1.579 0.527
;
253 1 254 44 parsed_5mww 1
81
;
assign (resid 51 and name HN
(resid 50 and name C ) -1.420 0.973
;
256 1 257 44 parsed_5mww 1
82
;
assign (resid 52 and name HN
(resid 51 and name C ) 0.019 1.310
;
259 1 260 43 parsed_5mww 1
83
;
assign (resid 53 and name HN
(resid 52 and name C ) -4.913 0.365
;
262 1 263 44 parsed_5mww 1
84
;
assign (resid 55 and name HN
(resid 54 and name C ) -5.837 1.452
;
265 1 266 44 parsed_5mww 1
85
;
assign (resid 56 and name HN
(resid 55 and name C ) -2.881 0.718
;
268 1 269 44 parsed_5mww 1
86
;
assign (resid 57 and name HN
(resid 56 and name C ) 0.639 0.972
;
271 1 272 43 parsed_5mww 1
87
;
assign (resid 58 and name HN
(resid 57 and name C ) 8.976 1.707
;
274 1 275 43 parsed_5mww 1
stop_
save_
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