NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
458327 |
2krc   |
cing | 2-parsed | STAR | dipolar coupling |
data_2krc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krc
_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_2krc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krc
_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 2krc "Master copy" parsed_2krc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krc
_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 2krc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 3 distance NOE ambi 2340 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 5 stereochemistry chirality "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . PDB 6 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . PDB 8 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krc 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2krc
_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
;
assign (resid 2 and name CA
(resid 2 and name C ) 14.393 1.512 1.000 0
;
1 1 2 52 parsed_2krc 1
2
;
assign (resid 5 and name CA
(resid 5 and name C ) 3.966 1.512 1.000 0
;
11 1 12 51 parsed_2krc 1
3
;
assign (resid 8 and name CA
(resid 8 and name C ) -12.715 1.512 1.000 0
;
22 1 23 53 parsed_2krc 1
4
;
assign (resid 12 and name CA
(resid 12 and name C ) -13.325 1.512 1.000 0
;
28 1 29 54 parsed_2krc 1
5
;
assign (resid 14 and name CA
(resid 14 and name C ) -7.363 1.512 1.000 0
;
35 1 36 53 parsed_2krc 1
6
;
assign (resid 15 and name CA
(resid 15 and name C ) -11.450 1.512 1.000 0
;
38 1 39 54 parsed_2krc 1
7
;
assign (resid 17 and name CA
(resid 17 and name C ) -9.112 1.512 1.000 0
;
45 1 46 53 parsed_2krc 1
8
;
assign (resid 19 and name CA
(resid 19 and name C ) 8.996 1.512 1.000 0
;
52 1 53 52 parsed_2krc 1
9
;
assign (resid 20 and name CA
(resid 20 and name C ) 9.737 1.512 1.000 0
;
55 1 56 52 parsed_2krc 1
10
;
assign (resid 26 and name CA
(resid 26 and name C ) -6.128 1.512 1.000 0
;
65 1 66 53 parsed_2krc 1
11
;
assign (resid 28 and name CA
(resid 28 and name C ) -3.639 1.512 1.000 0
;
68 1 69 53 parsed_2krc 1
12
;
assign (resid 32 and name CA
(resid 32 and name C ) 6.955 1.512 1.000 0
;
75 1 76 52 parsed_2krc 1
13
;
assign (resid 34 and name CA
(resid 34 and name C ) -8.663 1.512 1.000 0
;
78 1 79 53 parsed_2krc 1
14
;
assign (resid 38 and name CA
(resid 38 and name C ) -10.523 1.512 1.000 0
;
84 1 85 54 parsed_2krc 1
15
;
assign (resid 39 and name CA
(resid 39 and name C ) -4.984 1.512 1.000 0
;
87 1 88 53 parsed_2krc 1
16
;
assign (resid 45 and name CA
(resid 45 and name C ) -8.517 1.512 1.000 0
;
98 1 99 53 parsed_2krc 1
17
;
assign (resid 48 and name CA
(resid 48 and name C ) -10.009 1.512 1.000 0
;
108 1 109 54 parsed_2krc 1
18
;
assign (resid 51 and name CA
(resid 51 and name C ) -11.934 1.512 1.000 0
;
115 1 116 54 parsed_2krc 1
19
;
assign (resid 52 and name CA
(resid 52 and name C ) 3.830 1.512 1.000 0
;
118 1 119 52 parsed_2krc 1
20
;
assign (resid 53 and name CA
(resid 53 and name C ) 5.478 1.512 1.000 0
;
121 1 122 52 parsed_2krc 1
21
;
assign (resid 55 and name CA
(resid 55 and name C ) 9.051 1.512 1.000 0
;
124 1 125 52 parsed_2krc 1
22
;
assign (resid 59 and name CA
(resid 59 and name C ) -0.963 1.512 1.000 0
;
135 1 136 53 parsed_2krc 1
23
;
assign (resid 71 and name CA
(resid 71 and name C ) -5.287 1.512 1.000 0
;
165 1 166 53 parsed_2krc 1
24
;
assign (resid 72 and name CA
(resid 72 and name C ) 1.371 1.512 1.000 0
;
168 1 169 52 parsed_2krc 1
25
;
assign (resid 74 and name CA
(resid 74 and name C ) -5.271 1.512 1.000 0
;
175 1 176 53 parsed_2krc 1
26
;
assign (resid 83 and name CA
(resid 83 and name C ) 1.169 1.512 1.000 0
;
197 1 198 52 parsed_2krc 1
27
;
assign (resid 85 and name CA
(resid 85 and name C ) -1.965 1.512 1.000 0
;
204 1 205 53 parsed_2krc 1
28
;
assign (resid 88 and name CA
(resid 88 and name C ) -0.086 1.512 1.000 0
;
214 1 215 53 parsed_2krc 1
29
;
assign (resid 89 and name CA
(resid 89 and name C ) 2.676 1.512 1.000 0
;
217 1 218 52 parsed_2krc 1
30
;
assign (resid 94 and name CA
(resid 94 and name C ) 0.338 1.512 1.000 0
;
236 1 237 52 parsed_2krc 1
31
;
assign (resid 3 and name CA
(resid 3 and name HA ) -8.967 1.245 1.000 0
;
243 1 244 52 parsed_2krc 1
32
;
assign (resid 15 and name CA
(resid 15 and name HA ) 4.484 1.245 1.000 0
;
254 1 255 52 parsed_2krc 1
33
;
assign (resid 16 and name CA
(resid 16 and name HA ) -5.680 1.245 1.000 0
;
257 1 258 53 parsed_2krc 1
34
;
assign (resid 17 and name CA
(resid 17 and name HA ) -6.875 1.245 1.000 0
;
260 1 261 53 parsed_2krc 1
35
;
assign (resid 30 and name CA
(resid 30 and name HA ) -11.957 1.245 1.000 0
;
267 1 268 54 parsed_2krc 1
36
;
assign (resid 31 and name CA
(resid 31 and name HA ) -11.957 1.245 1.000 0
;
270 1 271 54 parsed_2krc 1
37
;
assign (resid 32 and name CA
(resid 32 and name HA ) 6.577 1.245 1.000 0
;
273 1 274 52 parsed_2krc 1
38
;
assign (resid 37 and name CA
(resid 37 and name HA ) -13.153 1.245 1.000 0
;
276 1 277 54 parsed_2krc 1
39
;
assign (resid 40 and name CA
(resid 40 and name HA ) -8.370 1.245 1.000 0
;
279 1 280 53 parsed_2krc 1
40
;
assign (resid 42 and name CA
(resid 42 and name HA ) 17.337 1.245 1.000 0
;
282 1 283 53 parsed_2krc 1
41
;
assign (resid 48 and name CA
(resid 48 and name HA ) -5.680 1.245 1.000 0
;
285 1 286 53 parsed_2krc 1
42
;
assign (resid 62 and name CA
(resid 62 and name HA ) -10.462 1.245 1.000 0
;
288 1 289 54 parsed_2krc 1
43
;
assign (resid 68 and name CA
(resid 68 and name HA ) -8.370 1.245 1.000 0
;
291 1 292 53 parsed_2krc 1
44
;
assign (resid 70 and name CA
(resid 70 and name HA ) -2.691 1.245 1.000 0
;
295 1 296 53 parsed_2krc 1
45
;
assign (resid 76 and name CA
(resid 76 and name HA ) 3.587 1.245 1.000 0
;
299 1 300 52 parsed_2krc 1
46
;
assign (resid 83 and name CA
(resid 83 and name HA ) -6.278 1.245 1.000 0
;
303 1 304 53 parsed_2krc 1
47
;
assign (resid 91 and name CA
(resid 91 and name HA ) -2.092 1.245 1.000 0
;
306 1 307 53 parsed_2krc 1
stop_
save_
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