NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type |
|
|
30026 |
1bqz   |
4227 | cing | recoord | dress | 2-parsed | STAR | dihedral angle |
data_1bqz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bqz
_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_1bqz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bqz
_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 1bqz "Master copy" parsed_1bqz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bqz
_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 1bqz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bqz 1
1 1bqz.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1bqz 1
1 1bqz.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bqz 1
1 1bqz.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1bqz 1
1 1bqz.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1bqz 1
1 1bqz.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bqz 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bqz
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
assign \= (resid 4 and name n) (resid 4 and name ca)\\
\> (resid 4 and name cb) (resid 4 and name cg) 1.0 60 60 2\\
;
2 1 4 67 parsed_1bqz 1
2
;
assign \= (resid 5 and name n) (resid 5 and name ca)\\
\> (resid 5 and name cb) (resid 5 and name cg) 1.0 60 60 2\\
;
6 1 8 67 parsed_1bqz 1
3
;
assign \= (resid 9 and name n) (resid 9 and name ca)\\
\> (resid 9 and name cb) (resid 9 and name cg) 1.0 -60 60 2\\
;
10 1 12 68 parsed_1bqz 1
4
;
assign \= (resid 13 and name n) (resid 13 and name ca)\\
\> (resid 13 and name cb) (resid 13 and name cg) 1.0 60 60 2\\
;
14 1 16 68 parsed_1bqz 1
5
;
assign \= (resid 16 and name n) (resid 16 and name ca)\\
\> (resid 16 and name cb) (resid 16 and name cg) 1.0 -60 60 2\\
;
18 1 20 69 parsed_1bqz 1
6
;
assign \= (resid 18 and name n) (resid 18 and name ca)\\
\> (resid 18 and name cb) (resid 18 and name cg) 1.0 60 60 2\\
;
22 1 24 68 parsed_1bqz 1
7
;
assign \= (resid 19 and name n) (resid 19 and name ca)\\
\> (resid 19 and name cb) (resid 19 and name cg) 1.0 60 60 2\\
;
26 1 28 68 parsed_1bqz 1
8
;
assign \= (resid 21 and name n) (resid 21 and name ca)\\
\> (resid 21 and name cb) (resid 21 and name cg) 1.0 60 60 2\\
;
30 1 32 68 parsed_1bqz 1
9
;
assign \= (resid 27 and name n) (resid 27 and name ca)\\
\> (resid 27 and name cb) (resid 27 and name cg) 1.0 60 60 2\\
;
34 1 36 68 parsed_1bqz 1
10
;
assign \= (resid 29 and name n) (resid 29 and name ca)\\
\> (resid 29 and name cb) (resid 29 and name cg) 1.0 60 60 2\\
;
38 1 40 68 parsed_1bqz 1
11
;
assign \= (resid 31 and name n) (resid 31 and name ca)\\
\> (resid 31 and name cb) (resid 31 and name cg) 1.0 -60 60 2\\
;
42 1 44 69 parsed_1bqz 1
12
;
assign \= (resid 34 and name n) (resid 34 and name ca)\\
\> (resid 34 and name cb) (resid 34 and name cg) 1.0 60 60 2\\
;
46 1 48 68 parsed_1bqz 1
13
;
assign \= (resid 36 and name n) (resid 36 and name ca)\\
\> (resid 36 and name cb) (resid 36 and name cg) 1.0 -60 60 2\\
;
50 1 52 69 parsed_1bqz 1
14
;
assign \= (resid 37 and name n) (resid 37 and name ca)\\
\> (resid 37 and name cb) (resid 37 and name cg) 1.0 -60 60 2\\
;
54 1 56 69 parsed_1bqz 1
15
;
assign \= (resid 46 and name n) (resid 46 and name ca)\\
\> (resid 46 and name cb) (resid 46 and name cg) 1.0 -60 60 2\\
;
58 1 60 69 parsed_1bqz 1
16
;
assign \= (resid 47 and name n) (resid 47 and name ca)\\
\> (resid 47 and name cb) (resid 47 and name cg) 1.0 60 60 2\\
;
62 1 64 68 parsed_1bqz 1
17
;
assign \= (resid 48 and name n) (resid 48 and name ca)\\
\> (resid 48 and name cb) (resid 48 and name cg) 1.0 -60 60 2\\
;
66 1 68 69 parsed_1bqz 1
18
;
assign \= (resid 56 and name n) (resid 56 and name ca)\\
\> (resid 56 and name cb) (resid 56 and name cg) 1.0 60 60 2\\
;
70 1 72 68 parsed_1bqz 1
19
;
assign \= (resid 58 and name n) (resid 58 and name ca)\\
\> (resid 58 and name cb) (resid 58 and name cg) 1.0 180 60 2\\
;
74 1 76 69 parsed_1bqz 1
20
;
assign \= (resid 61 and name n) (resid 61 and name ca)\\
\> (resid 61 and name cb) (resid 61 and name cg) 1.0 -60 60 2\\
;
78 1 80 69 parsed_1bqz 1
21
;
assign \= (resid 66 and name n) (resid 66 and name ca)\\
\> (resid 66 and name cb) (resid 66 and name cg) 1.0 60 60 2\\
;
82 1 84 68 parsed_1bqz 1
22
;
assign \= (resid 68 and name n) (resid 68 and name ca)\\
\> (resid 68 and name cb) (resid 68 and name cg) 1.0 -60 60 2\\
;
86 1 88 69 parsed_1bqz 1
23
;
assign \= (resid 70 and name n) (resid 70 and name ca)\\
\> (resid 70 and name cb) (resid 70 and name cg) 1.0 60 60 2\\
;
90 1 92 68 parsed_1bqz 1
24
;
assign \= (resid 73 and name n) (resid 73 and name ca)\\
\> (resid 73 and name cb) (resid 73 and name cg) 1.0 -60 60 2\\
;
94 1 96 69 parsed_1bqz 1
25
;
assign \= (resid 74 and name n) (resid 74 and name ca)\\
\> (resid 74 and name cb) (resid 74 and name cg) 1.0 -60 60 2\\
;
98 1 100 69 parsed_1bqz 1
26
;
assign \= (resid 75 and name n) (resid 75 and name ca)\\
\> (resid 75 and name cb) (resid 75 and name cg) 1.0 -60 60 2\\
;
102 1 104 69 parsed_1bqz 1
27
;
assign \= (resid 14 and name n) (resid 14 and name ca)\\
\> (resid 14 and name cb) (resid 14 and name og1) 1.0 60 60 2\\
;
106 1 108 69 parsed_1bqz 1
28
;
assign \= (resid 57 and name n) (resid 57 and name ca)\\
\> (resid 57 and name cb) (resid 57 and name og1) 1.0 60 60 2\\
;
110 1 112 69 parsed_1bqz 1
29
;
assign \= (resid 11 and name n) (resid 11 and name ca)\\
\> (resid 11 and name cb) (resid 11 and name cg1) 1.0 180 60 2\\
;
114 1 116 70 parsed_1bqz 1
30
;
assign \= (resid 55 and name n) (resid 55 and name ca)\\
\> (resid 55 and name cb) (resid 55 and name cg1) 1.0 60 60 2\\
;
118 1 120 69 parsed_1bqz 1
31
;
assign \= (resid 49 and name n) (resid 49 and name ca)\\
\> (resid 49 and name cb) (resid 49 and name cg1) 1.0 -60 60 2\\
;
122 1 124 70 parsed_1bqz 1
32
;
assign (resid 20 and name n) (resid 20 and name ca)\\
\> (resid 20 and name cb) (resid 20 and name cg1) 1.0 -60 60 2\\
;
126 1 128 70 parsed_1bqz 1
33
;
assign (resid 8 and name n) (resid 8 and name ca)\\
\> (resid 8 and name cb) (resid 8 and name cg1) 1.0 -60 60 2\\
;
130 1 132 69 parsed_1bqz 1
34
;
assign (resid 5 and name c) (resid 6 and name n)\\
\> (resid 6 and name ca) (resid 6 and name c) 1.0 -57 30 2\\
;
134 1 136 67 parsed_1bqz 1
35
;
assign (resid 6 and name c) (resid 7 and name n)\\
\> (resid 7 and name ca) (resid 7 and name c) 1.0 -57 30 2\\
;
138 1 140 67 parsed_1bqz 1
36
;
assign (resid 7 and name c) (resid 8 and name n)\\
\> (resid 8 and name ca) (resid 8 and name c) 1.0 -57 30 2\\
;
142 1 144 67 parsed_1bqz 1
37
;
assign (resid 8 and name c) (resid 9 and name n)\\
\> (resid 9 and name ca) (resid 9 and name c) 1.0 -57 30 2\\
;
146 1 148 67 parsed_1bqz 1
38
;
assign (resid 10 and name c) (resid 11 and name n)\\
\> (resid 11 and name ca) (resid 11 and name c) 1.0 -120 30 2\\
;
150 1 152 69 parsed_1bqz 1
39
;
assign (resid 11 and name c) (resid 12 and name n)\\
\> (resid 12 and name ca) (resid 12 and name c) 1.0 -57 30 2\\
;
154 1 156 68 parsed_1bqz 1
40
;
assign (resid 12 and name c) (resid 13 and name n)\\
\> (resid 13 and name ca) (resid 13 and name c) 1.0 -57 30 2\\
;
158 1 160 68 parsed_1bqz 1
41
;
assign (resid 13 and name c) (resid 14 and name n)\\
\> (resid 14 and name ca) (resid 14 and name c) 1.0 -120 30 2\\
;
162 1 164 69 parsed_1bqz 1
42
;
assign (resid 14 and name c) (resid 15 and name n)\\
\> (resid 15 and name ca) (resid 15 and name c) 1.0 -57 30 2\\
;
166 1 168 68 parsed_1bqz 1
43
;
assign (resid 16 and name c) (resid 17 and name n)\\
\> (resid 17 and name ca) (resid 17 and name c) 1.0 -57 30 2\\
;
170 1 172 68 parsed_1bqz 1
44
;
assign (resid 17 and name c) (resid 18 and name n)\\
\> (resid 18 and name ca) (resid 18 and name c) 1.0 -57 30 2\\
;
174 1 176 68 parsed_1bqz 1
45
;
assign (resid 19 and name c) (resid 20 and name n)\\
\> (resid 20 and name ca) (resid 20 and name c) 1.0 -57 30 2\\
;
178 1 180 68 parsed_1bqz 1
46
;
assign (resid 20 and name c) (resid 21 and name n)\\
\> (resid 21 and name ca) (resid 21 and name c) 1.0 -57 30 2\\
;
182 1 184 68 parsed_1bqz 1
47
;
assign (resid 21 and name c) (resid 22 and name n)\\
\> (resid 22 and name ca) (resid 22 and name c) 1.0 -57 30 2\\
;
186 1 188 68 parsed_1bqz 1
48
;
assign (resid 22 and name c) (resid 23 and name n)\\
\> (resid 23 and name ca) (resid 23 and name c) 1.0 -57 30 2\\
;
190 1 192 68 parsed_1bqz 1
49
;
assign (resid 23 and name c) (resid 24 and name n)\\
\> (resid 24 and name ca) (resid 24 and name c) 1.0 -57 30 2\\
;
194 1 196 68 parsed_1bqz 1
50
;
assign (resid 24 and name c) (resid 25 and name n)\\
\> (resid 25 and name ca) (resid 25 and name c) 1.0 -57 30 2\\
;
198 1 200 68 parsed_1bqz 1
51
;
assign (resid 25 and name c) (resid 26 and name n)\\
\> (resid 26 and name ca) (resid 26 and name c) 1.0 -57 30 2\\
;
202 1 204 68 parsed_1bqz 1
52
;
assign (resid 26 and name c) (resid 27 and name n)\\
\> (resid 27 and name ca) (resid 27 and name c) 1.0 -57 20 2\\
;
206 1 208 68 parsed_1bqz 1
53
;
assign (resid 27 and name c) (resid 28 and name n)\\
\> (resid 28 and name ca) (resid 28 and name c) 1.0 -57 30 2\\
;
210 1 212 68 parsed_1bqz 1
54
;
assign (resid 28 and name c) (resid 29 and name n)\\
\> (resid 29 and name ca) (resid 29 and name c) 1.0 -57 30 2\\
;
214 1 216 68 parsed_1bqz 1
55
;
assign (resid 29 and name c) (resid 30 and name n)\\
\> (resid 30 and name ca) (resid 30 and name c) 1.0 -57 30 2\\
;
218 1 220 68 parsed_1bqz 1
56
;
assign (resid 30 and name c) (resid 31 and name n)\\
\> (resid 31 and name ca) (resid 31 and name c) 1.0 -120 30 2\\
;
222 1 224 69 parsed_1bqz 1
57
;
assign (resid 31 and name c) (resid 32 and name n)\\
\> (resid 32 and name ca) (resid 32 and name c) 1.0 -57 30 2 \\
;
226 1 228 71 parsed_1bqz 1
58
;
assign (resid 34 and name c) (resid 35 and name n)\\
\> (resid 35 and name ca) (resid 35 and name c) 1.0 -120 30 2\\
;
230 1 232 69 parsed_1bqz 1
59
;
assign (resid 36 and name c) (resid 37 and name n)\\
\> (resid 37 and name ca) (resid 37 and name c) 1.0 -57 30 2\\
;
234 1 236 68 parsed_1bqz 1
60
;
assign (resid 39 and name c) (resid 40 and name n)\\
\> (resid 40 and name ca) (resid 40 and name c) 1.0 -57 30 2\\
;
238 1 240 68 parsed_1bqz 1
61
;
assign (resid 41 and name c) (resid 42 and name n)\\
\> (resid 42 and name ca) (resid 42 and name c) 1.0 -57 30 2\\
;
242 1 244 68 parsed_1bqz 1
62
;
assign (resid 42 and name c) (resid 43 and name n)\\
\> (resid 43 and name ca) (resid 43 and name c) 1.0 -57 30 2\\
;
246 1 248 68 parsed_1bqz 1
63
;
assign (resid 43 and name c) (resid 44 and name n)\\
\> (resid 44 and name ca) (resid 44 and name c) 1.0 -57 20 2\\
;
250 1 252 68 parsed_1bqz 1
64
;
assign (resid 44 and name c) (resid 45 and name n)\\
\> (resid 45 and name ca) (resid 45 and name c) 1.0 -57 30 2\\
;
254 1 256 68 parsed_1bqz 1
65
;
assign (resid 45 and name c) (resid 46 and name n)\\
\> (resid 46 and name ca) (resid 46 and name c) 1.0 -57 30 2\\
;
258 1 260 68 parsed_1bqz 1
66
;
assign (resid 46 and name c) (resid 47 and name n)\\
\> (resid 47 and name ca) (resid 47 and name c) 1.0 -57 30 2\\
;
262 1 264 68 parsed_1bqz 1
67
;
assign (resid 47 and name c) (resid 48 and name n)\\
\> (resid 48 and name ca) (resid 48 and name c) 1.0 -57 30 2\\
;
266 1 268 68 parsed_1bqz 1
68
;
assign (resid 48 and name c) (resid 49 and name n)\\
\> (resid 49 and name ca) (resid 49 and name c) 1.0 -57 30 2\\
;
270 1 272 68 parsed_1bqz 1
69
;
assign (resid 49 and name c) (resid 50 and name n)\\
\> (resid 50 and name ca) (resid 50 and name c) 1.0 -57 20 2\\
;
274 1 276 68 parsed_1bqz 1
70
;
assign (resid 51 and name c) (resid 52 and name n)\\
\> (resid 52 and name ca) (resid 52 and name c) 1.0 -57 20 2\\
;
278 1 280 68 parsed_1bqz 1
71
;
assign (resid 52 and name c) (resid 53 and name n)\\
\> (resid 53 and name ca) (resid 53 and name c) 1.0 -57 30 2\\
;
282 1 284 68 parsed_1bqz 1
72
;
assign (resid 53 and name c) (resid 54 and name n)\\
\> (resid 54 and name ca) (resid 54 and name c) 1.0 -57 30 2\\
;
286 1 288 68 parsed_1bqz 1
73
;
assign (resid 55 and name c) (resid 56 and name n)\\
\> (resid 56 and name ca) (resid 56 and name c) 1.0 -57 30 2\\
;
290 1 292 68 parsed_1bqz 1
74
;
assign (resid 56 and name c) (resid 57 and name n)\\
\> (resid 57 and name ca) (resid 57 and name c) 1.0 -120 30 2\\
;
294 1 296 69 parsed_1bqz 1
75
;
assign (resid 57 and name c) (resid 58 and name n)\\
\> (resid 58 and name ca) (resid 58 and name c) 1.0 -120 30 2\\
;
298 1 300 69 parsed_1bqz 1
76
;
assign (resid 58 and name c) (resid 59 and name n)\\
\> (resid 59 and name ca) (resid 59 and name c) 1.0 -57 30 2\\
;
302 1 304 70 parsed_1bqz 1
77
;
assign (resid 59 and name c) (resid 60 and name n)\\
\> (resid 60 and name ca) (resid 60 and name c) 1.0 -57 20 2\\
;
306 1 308 68 parsed_1bqz 1
78
;
assign (resid 60 and name c) (resid 61 and name n)\\
\> (resid 61 and name ca) (resid 61 and name c) 1.0 -57 20 2\\
;
310 1 312 68 parsed_1bqz 1
79
;
assign (resid 61 and name c) (resid 62 and name n)\\
\> (resid 62 and name ca) (resid 62 and name c) 1.0 -57 30 2\\
;
314 1 316 68 parsed_1bqz 1
80
;
assign (resid 62 and name c) (resid 63 and name n)\\
\> (resid 63 and name ca) (resid 63 and name c) 1.0 -57 30 2\\
;
318 1 320 68 parsed_1bqz 1
81
;
assign (resid 63 and name c) (resid 64 and name n)\\
\> (resid 64 and name ca) (resid 64 and name c) 1.0 -57 30 2\\
;
322 1 324 68 parsed_1bqz 1
82
;
assign (resid 64 and name c) (resid 65 and name n)\\
\> (resid 65 and name ca) (resid 65 and name c) 1.0 -57 30 2\\
;
326 1 328 68 parsed_1bqz 1
83
;
assign (resid 65 and name c) (resid 66 and name n)\\
\> (resid 66 and name ca) (resid 66 and name c) 1.0 -57 30 2\\
;
330 1 332 68 parsed_1bqz 1
84
;
assign (resid 69 and name c) (resid 70 and name n)\\
\> (resid 70 and name ca) (resid 70 and name c) 1.0 -57 30 2\\
;
334 1 336 68 parsed_1bqz 1
85
;
assign (resid 70 and name c) (resid 71 and name n)\\
\> (resid 71 and name ca) (resid 71 and name c) 1.0 -57 30 2\\
;
338 1 340 68 parsed_1bqz 1
86
;
assign (resid 71 and name c) (resid 72 and name n)\\
\> (resid 72 and name ca) (resid 72 and name c) 1.0 -57 30 2\\
;
342 1 344 68 parsed_1bqz 1
87
;
assign (resid 72 and name c) (resid 73 and name n)\\
\> (resid 73 and name ca) (resid 73 and name c) 1.0 -120 30 2\\
;
346 1 348 69 parsed_1bqz 1
stop_
save_
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