NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
621545 |
5woc   |
30319 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_5woc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5woc
_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_5woc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5woc
_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 5woc "Master copy" parsed_5woc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5woc
_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 5woc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5woc 1
1 5woc.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_5woc 1
1 5woc.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5woc 1
1 5woc.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5woc 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5woc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.4 -49.2 . a 1 . C a 2 . N a 2 . CA a 2 . C parsed_5woc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.4 -49.2 . b 1 . C b 2 . N b 2 . CA b 2 . C parsed_5woc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -33.0 . a 2 . N a 2 . CA a 2 . C a 3 . N parsed_5woc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -33.0 . b 2 . N b 2 . CA b 2 . C b 3 . N parsed_5woc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -61.6 . a 2 . C a 3 . N a 3 . CA a 3 . C parsed_5woc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -61.6 . b 2 . C b 3 . N b 3 . CA b 3 . C parsed_5woc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 -31.9 . a 3 . N a 3 . CA a 3 . C a 4 . N parsed_5woc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 -31.9 . b 3 . N b 3 . CA b 3 . C b 4 . N parsed_5woc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.6 -64.8 . a 3 . C a 4 . N a 4 . CA a 4 . C parsed_5woc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.6 -64.8 . b 3 . C b 4 . N b 4 . CA b 4 . C parsed_5woc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.2 -33.0 . a 4 . N a 4 . CA a 4 . C a 5 . N parsed_5woc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.2 -33.0 . b 4 . N b 4 . CA b 4 . C b 5 . N parsed_5woc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.2 -62.0 . a 4 . C a 5 . N a 5 . CA a 5 . C parsed_5woc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.2 -62.0 . b 4 . C b 5 . N b 5 . CA b 5 . C parsed_5woc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.5 -38.3 . a 5 . N a 5 . CA a 5 . C a 6 . N parsed_5woc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.5 -38.3 . b 5 . N b 5 . CA b 5 . C b 6 . N parsed_5woc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -58.4 . a 5 . C a 6 . N a 6 . CA a 6 . C parsed_5woc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -58.4 . b 5 . C b 6 . N b 6 . CA b 6 . C parsed_5woc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.9 -29.7 . a 6 . N a 6 . CA a 6 . C a 7 . N parsed_5woc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.9 -29.7 . b 6 . N b 6 . CA b 6 . C b 7 . N parsed_5woc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.7 -57.7 . a 10 . C a 11 . N a 11 . CA a 11 . C parsed_5woc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.7 -57.7 . b 10 . C b 11 . N b 11 . CA b 11 . C parsed_5woc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -32.0 . a 11 . N a 11 . CA a 11 . C a 12 . N parsed_5woc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -32.0 . b 11 . N b 11 . CA b 11 . C b 12 . N parsed_5woc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.5 -62.3 . a 11 . C a 12 . N a 12 . CA a 12 . C parsed_5woc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.5 -62.3 . b 11 . C b 12 . N b 12 . CA b 12 . C parsed_5woc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.9 -31.3 . a 12 . N a 12 . CA a 12 . C a 13 . N parsed_5woc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.9 -31.3 . b 12 . N b 12 . CA b 12 . C b 13 . N parsed_5woc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -62.1 . a 12 . C a 13 . N a 13 . CA a 13 . C parsed_5woc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -62.1 . b 12 . C b 13 . N b 13 . CA b 13 . C parsed_5woc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.8 -29.4 . a 13 . N a 13 . CA a 13 . C a 14 . N parsed_5woc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.8 -29.4 . b 13 . N b 13 . CA b 13 . C b 14 . N parsed_5woc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.9 -63.5 . a 13 . C a 14 . N a 14 . CA a 14 . C parsed_5woc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.9 -63.5 . b 13 . C b 14 . N b 14 . CA b 14 . C parsed_5woc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.5 -28.5 . a 14 . N a 14 . CA a 14 . C a 15 . N parsed_5woc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.5 -28.5 . b 14 . N b 14 . CA b 14 . C b 15 . N parsed_5woc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -77.0 . a 17 . C a 18 . N a 18 . CA a 18 . C parsed_5woc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -77.0 . b 17 . C b 18 . N b 18 . CA b 18 . C parsed_5woc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.3 9.5 . a 18 . N a 18 . CA a 18 . C a 19 . N parsed_5woc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.3 9.5 . b 18 . N b 18 . CA b 18 . C b 19 . N parsed_5woc 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 P2 2 1 2 4 parsed_5woc 1
2 E3 12 1 12 4 parsed_5woc 1
3 E4 22 1 22 4 parsed_5woc 1
4 R5 32 1 32 4 parsed_5woc 1
5 A6 42 1 42 5 parsed_5woc 1
6
;
Q7
T10
A11
;
52 1 56 5 parsed_5woc 1
7 A12 66 1 66 5 parsed_5woc 1
8 E13 76 1 76 5 parsed_5woc 1
9 K14 86 1 86 5 parsed_5woc 1
10
;
D16
E17
L18
;
96 1 100 5 parsed_5woc 1
11 G19 110 1 110 5 parsed_5woc 1
stop_
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 "# Restraints file 1: HWC50_DIH.tbl" 1 1 1 34 parsed_5woc 1
stop_
save_
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