NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
40593 |
1vrc   |
4264 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_1vrc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1vrc
_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_1vrc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1vrc
_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 1vrc "Master copy" parsed_1vrc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1vrc
_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 1vrc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1vrc 1
1 1vrc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1vrc 1
1 1vrc.mr . . XPLOR/CNS 3 distance NOE simple 328 parsed_1vrc 1
1 1vrc.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1vrc 1
1 1vrc.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_1vrc 1
1 1vrc.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1vrc 1
1 1vrc.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1vrc 1
1 1vrc.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1vrc 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1vrc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 23 . n A 23 . ca A 23 . cb A 23 . cg parsed_1vrc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 24 . n A 24 . ca A 24 . cb A 24 . cg parsed_1vrc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 24 . ca A 24 . cb A 24 . cg A 24 . cd1 parsed_1vrc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 25 . n A 25 . ca A 25 . cb A 25 . cg parsed_1vrc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 25 . ca A 25 . cb A 25 . cg A 25 . cd1 parsed_1vrc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 28 . n A 28 . ca A 28 . cb A 28 . cg parsed_1vrc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 68 . n A 68 . ca A 68 . cb A 68 . og1 parsed_1vrc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 99 . n A 99 . ca A 99 . cb A 99 . cg1 parsed_1vrc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 120 . n A 120 . ca A 120 . cb A 120 . cg parsed_1vrc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . A 124 . n A 124 . ca A 124 . cb A 124 . cg parsed_1vrc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 23 . n B 23 . ca B 23 . cb B 23 . cg parsed_1vrc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 24 . n B 24 . ca B 24 . cb B 24 . cg parsed_1vrc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 24 . ca B 24 . cb B 24 . cg B 24 . cd1 parsed_1vrc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 25 . n B 25 . ca B 25 . cb B 25 . cg parsed_1vrc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 25 . ca B 25 . cb B 25 . cg B 25 . cd1 parsed_1vrc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 28 . n B 28 . ca B 28 . cb B 28 . cg parsed_1vrc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 68 . n B 68 . ca B 68 . cb B 68 . og1 parsed_1vrc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 99 . n A 99 . ca A 99 . cb A 99 . cg1 parsed_1vrc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 120 . n B 120 . ca B 120 . cb B 120 . cg parsed_1vrc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . B 124 . n B 124 . ca B 124 . cb B 124 . cg parsed_1vrc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 69 . n A 69 . ca A 69 . cb A 69 . cg parsed_1vrc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 36 . n A 36 . ca A 36 . cb A 36 . cg parsed_1vrc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 74 . n A 74 . ca A 74 . cb A 74 . cg parsed_1vrc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . A 74 . ca A 74 . cb A 74 . cg A 74 . cd1 parsed_1vrc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 10 . n A 10 . ca A 10 . cb A 10 . cg parsed_1vrc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . A 10 . ca A 10 . cb A 10 . cg A 10 . nd1 parsed_1vrc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 69 . n B 69 . ca B 69 . cb B 69 . cg parsed_1vrc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 36 . n B 36 . ca B 36 . cb B 36 . cg parsed_1vrc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 74 . n B 74 . ca B 74 . cb B 74 . cg parsed_1vrc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . B 74 . ca B 74 . cb B 74 . cg B 74 . cd1 parsed_1vrc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 10 . n B 10 . ca B 10 . cb B 10 . cg parsed_1vrc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . B 10 . ca B 10 . cb B 10 . cg B 10 . nd1 parsed_1vrc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . C 217 . n C 217 . ca C 217 . cb C 217 . cg parsed_1vrc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . C 223 . n C 223 . ca C 223 . cb C 223 . cg1 parsed_1vrc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . C 224 . n C 224 . ca C 224 . cb C 224 . cg parsed_1vrc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . C 227 . n C 227 . ca C 227 . cb C 227 . cg parsed_1vrc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . C 247 . n C 247 . ca C 247 . cb C 247 . cg parsed_1vrc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . C 247 . ca C 247 . cb C 247 . cg C 247 . cd1 parsed_1vrc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . C 249 . n C 249 . ca C 249 . cb C 249 . cg parsed_1vrc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . C 251 . n C 251 . ca C 251 . cb C 251 . cg parsed_1vrc 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . C 252 . n C 252 . ca C 252 . cb C 252 . og1 parsed_1vrc 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . D 217 . n D 217 . ca D 217 . cb D 217 . cg parsed_1vrc 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . D 223 . n D 223 . ca D 223 . cb D 223 . cg1 parsed_1vrc 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . D 224 . n D 224 . ca D 224 . cb D 224 . cg parsed_1vrc 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . D 227 . n D 227 . ca D 227 . cb D 227 . cg parsed_1vrc 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . D 247 . n D 247 . ca D 247 . cb D 247 . cg parsed_1vrc 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . D 247 . ca D 247 . cb D 247 . cg D 247 . cd1 parsed_1vrc 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . D 249 . n D 249 . ca D 249 . cb D 249 . cg parsed_1vrc 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . D 251 . n D 251 . ca D 251 . cb D 251 . cg parsed_1vrc 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . D 252 . n D 252 . ca D 252 . cb D 252 . og1 parsed_1vrc 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . C 215 . n C 215 . ca C 215 . cb C 215 . cg parsed_1vrc 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . C 215 . ca C 215 . cb C 215 . cg C 215 . nd1 parsed_1vrc 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . C 248 . n C 248 . ca C 248 . cb C 248 . cg parsed_1vrc 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . C 248 . ca C 248 . cb C 248 . cg C 248 . cd1 parsed_1vrc 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . D 215 . n D 215 . ca D 215 . cb D 215 . cg parsed_1vrc 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . D 215 . ca D 215 . cb D 215 . cg D 215 . nd1 parsed_1vrc 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . D 248 . n D 248 . ca D 248 . cb D 248 . cg parsed_1vrc 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . D 248 . ca D 248 . cb D 248 . cg D 248 . cd1 parsed_1vrc 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
IIAMAN
M23 Chi-1
;
2 1 3 12 parsed_1vrc 1
2 "L24 Chi-1" 7 1 7 12 parsed_1vrc 1
3 "L24 Chi-2" 10 1 10 12 parsed_1vrc 1
4 "L25 Chi-1" 14 1 14 12 parsed_1vrc 1
5 "L25 Chi-2" 17 1 17 12 parsed_1vrc 1
6 "Q28 Chi-1" 21 1 21 12 parsed_1vrc 1
7 "T68 Chi-1" 25 1 25 12 parsed_1vrc 1
8 "V99 Chi-1" 29 1 29 12 parsed_1vrc 1
9 "E120 Chi-1" 34 1 34 13 parsed_1vrc 1
10 "E124 Chi-1" 38 1 38 13 parsed_1vrc 1
11 "M23 Chi-1" 42 1 42 12 parsed_1vrc 1
12 "L24 Chi-1" 46 1 46 12 parsed_1vrc 1
13 "L24 Chi-2" 49 1 49 12 parsed_1vrc 1
14 "L25 Chi-1" 53 1 53 12 parsed_1vrc 1
15 "L25 Chi-2" 56 1 56 12 parsed_1vrc 1
16 "Q28 Chi-1" 60 1 60 12 parsed_1vrc 1
17 "T68 Chi-1" 64 1 64 12 parsed_1vrc 1
18 "V99 Chi-1" 68 1 68 12 parsed_1vrc 1
19 "E120 Chi-1" 72 1 72 13 parsed_1vrc 1
20 "E124 Chi-1" 76 1 76 13 parsed_1vrc 1
21 "W69 Chi-1" 80 1 80 12 parsed_1vrc 1
22 "F36 Chi-1" 85 1 85 12 parsed_1vrc 1
23
;
F36 Chi-2
assign (segid A and resid 36 and name ca ) (segid A and resid 36 and name cb )
(segid A and resid 36 and name cg ) (segid A and resid 36 and name cd1 ) 1.0 90.0 30.0 2
F74 Chi-1
;
88 1 93 12 parsed_1vrc 1
24 "F74 Chi-2" 96 1 96 12 parsed_1vrc 1
25 "H10 Chi-1" 101 1 101 12 parsed_1vrc 1
26 "H10 Chi-2" 105 1 105 12 parsed_1vrc 1
27
;
W12 Chi-1
assign (segid B and resid 12 and name n ) (segid B and resid 12 and name ca )
(segid B and resid 12 and name cb ) (segid B and resid 12 and name cg ) 1.0 -60.0 20.0 2
W33 Chi-1
assign (segid B and resid 33 and name n ) (segid B and resid 33 and name ca )
(segid B and resid 33 and name cb ) (segid B and resid 33 and name cg ) 1.0 60.0 20.0 2
W69 Chi-1
;
109 1 117 12 parsed_1vrc 1
28 "F36 Chi-1" 122 1 122 12 parsed_1vrc 1
29
;
F36 Chi-2
assign (segid B and resid 36 and name ca ) (segid B and resid 36 and name cb )
(segid B and resid 36 and name cg ) (segid B and resid 36 and name cd1 ) 1.0 90.0 30.0 2
F74 Chi-1
;
125 1 130 12 parsed_1vrc 1
30 "F74 Chi-2" 133 1 133 12 parsed_1vrc 1
31 "H10 Chi-1" 138 1 138 12 parsed_1vrc 1
32 "H10 Chi-2" 142 1 142 12 parsed_1vrc 1
33
;
HPR
R217 Chi-1
;
146 1 148 13 parsed_1vrc 1
34 "V223 Chi-1" 152 1 152 13 parsed_1vrc 1
35 "K224 Chi-1" 156 1 156 13 parsed_1vrc 1
36 "K227 Chi-1" 160 1 160 13 parsed_1vrc 1
37 "L247 Chi-1" 164 1 164 13 parsed_1vrc 1
38 "L247 Chi-2" 167 1 167 13 parsed_1vrc 1
39 "K249 Chi-1" 171 1 171 13 parsed_1vrc 1
40 "Q251 Chi-1" 175 1 175 13 parsed_1vrc 1
41 "T252 Chi-1" 179 1 179 13 parsed_1vrc 1
42 "R217 Chi-1" 183 1 183 13 parsed_1vrc 1
43 "V223 Chi-1" 187 1 187 13 parsed_1vrc 1
44 "K224 Chi-1" 191 1 191 13 parsed_1vrc 1
45 "K227 Chi-1" 195 1 195 13 parsed_1vrc 1
46 "L247 Chi-1" 199 1 199 13 parsed_1vrc 1
47 "L247 Chi-2" 202 1 202 13 parsed_1vrc 1
48 "K249 Chi-1" 206 1 206 13 parsed_1vrc 1
49 "Q251 Chi-1" 210 1 210 13 parsed_1vrc 1
50 "T252 Chi-1" 214 1 214 13 parsed_1vrc 1
51 "H215 Chi-1" 218 1 218 13 parsed_1vrc 1
52 "H215 Chi-2" 222 1 222 13 parsed_1vrc 1
53 "F248 Chi-1" 226 1 226 13 parsed_1vrc 1
54 "F248 Chi-2" 229 1 229 13 parsed_1vrc 1
55 "H215 Chi-1" 233 1 233 13 parsed_1vrc 1
56 "H215 Chi-2" 237 1 237 13 parsed_1vrc 1
57 "F248 Chi-1" 241 1 241 13 parsed_1vrc 1
58 "F248 Chi-2" 244 1 244 13 parsed_1vrc 1
stop_
save_
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