NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29762 |
1bcb   |
cing | 2-parsed | STAR | dihedral angle | 51 |
data_1bcb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bcb
_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_1bcb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bcb
_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 1bcb "Master copy" parsed_1bcb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bcb
_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 1bcb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bcb 1
1 1bcb.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_1bcb 1
1 1bcb.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1bcb 1
1 1bcb.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1bcb 1
1 1bcb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bcb 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bcb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 2 G C3' parsed_1bcb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1bcb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 6 A3' O5' 1 6 A3' C5' 1 6 A3' C4' 1 6 A3' C3' parsed_1bcb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 12 T3' O5' 1 12 T3' C5' 1 12 T3' C4' 1 12 T3' C3' parsed_1bcb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 18 T3' O5' 1 18 T3' C5' 1 18 T3' C4' 1 18 T3' C3' parsed_1bcb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 15 T O5' 1 15 T C5' 1 15 T C4' 1 15 T C3' parsed_1bcb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 14 C O5' 1 14 C C5' 1 14 C C4' 1 14 C C3' parsed_1bcb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 1 A5' C6 1 1 A5' N6 1 12 T3' O4 1 12 T3' C4 parsed_1bcb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 1 A5' C6 1 1 A5' N1 1 12 T3' N3 1 12 T3' C4 parsed_1bcb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 3 A C6 1 3 A N6 1 10 T O4 1 10 T C4 parsed_1bcb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 3 A C6 1 3 A N1 1 10 T N3 1 10 T C4 parsed_1bcb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 4 A C6 1 4 A N6 1 9 T O4 1 9 T C4 parsed_1bcb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 4 A C6 1 4 A N1 1 9 T N3 1 9 T C4 parsed_1bcb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 6 A3' C6 1 6 A3' N6 1 7 T5' O4 1 7 T5' C4 parsed_1bcb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 6 A3' C6 1 6 A3' N1 1 7 T5' N3 1 7 T5' C4 parsed_1bcb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 2 G C6 1 2 G O6 1 11 C N4 1 11 C C4 parsed_1bcb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 2 G C2 1 2 G N2 1 11 C O2 1 11 C C2 parsed_1bcb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 5 G C6 1 5 G O6 1 8 C N4 1 8 C C4 parsed_1bcb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 5 G C2 1 5 G N2 1 8 C O2 1 8 C C2 parsed_1bcb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 13 T5' C4 1 13 T5' O4 1 1 A5' N6 1 1 A5' C6 parsed_1bcb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 13 T5' C4 1 13 T5' N3 1 1 A5' N7 1 1 A5' C5 parsed_1bcb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 15 T C4 1 15 T O4 1 3 A N6 1 3 A C6 parsed_1bcb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 15 T C4 1 15 T N3 1 3 A N7 1 3 A C5 parsed_1bcb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 16 T C4 1 16 T O4 1 4 A N6 1 4 A C6 parsed_1bcb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 16 T C4 1 16 T N3 1 4 A N7 1 4 A C5 parsed_1bcb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 18 T3' C4 1 18 T3' O4 1 6 A3' N6 1 6 A3' C6 parsed_1bcb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 18 T3' C4 1 18 T3' N3 1 6 A3' N7 1 6 A3' C5 parsed_1bcb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 14 C C4 1 14 C N4 1 2 G O6 1 2 G C6 parsed_1bcb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 14 C C4 1 14 C N3 1 2 G N7 1 2 G C5 parsed_1bcb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 17 C C4 1 17 C N4 1 5 G O6 1 5 G C6 parsed_1bcb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 17 C C4 1 17 C N3 1 5 G N7 1 5 G C5 parsed_1bcb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 1 A5' O4' 1 1 A5' C1' 1 1 A5' C2' 1 1 A5' C3' parsed_1bcb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 2 G O4' 1 2 G C1' 1 2 G C2' 1 2 G C3' parsed_1bcb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 3 A O4' 1 3 A C1' 1 3 A C2' 1 3 A C3' parsed_1bcb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 4 A O4' 1 4 A C1' 1 4 A C2' 1 4 A C3' parsed_1bcb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 5 G O4' 1 5 G C1' 1 5 G C2' 1 5 G C3' parsed_1bcb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 6 A3' O4' 1 6 A3' C1' 1 6 A3' C2' 1 6 A3' C3' parsed_1bcb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 7 T5' O4' 1 7 T5' C1' 1 7 T5' C2' 1 7 T5' C3' parsed_1bcb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 10 T O4' 1 10 T C1' 1 10 T C2' 1 10 T C3' parsed_1bcb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 12 T3' O4' 1 12 T3' C1' 1 12 T3' C2' 1 12 T3' C3' parsed_1bcb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 13 T5' O4' 1 13 T5' C1' 1 13 T5' C2' 1 13 T5' C3' parsed_1bcb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 1 A5' C1' 1 1 A5' C2' 1 1 A5' C3' 1 1 A5' C4' parsed_1bcb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 2 G C1' 1 2 G C2' 1 2 G C3' 1 2 G C4' parsed_1bcb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 3 A C1' 1 3 A C2' 1 3 A C3' 1 3 A C4' parsed_1bcb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 4 A C1' 1 4 A C2' 1 4 A C3' 1 4 A C4' parsed_1bcb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 5 G C1' 1 5 G C2' 1 5 G C3' 1 5 G C4' parsed_1bcb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 6 A3' C1' 1 6 A3' C2' 1 6 A3' C3' 1 6 A3' C4' parsed_1bcb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 7 T5' C1' 1 7 T5' C2' 1 7 T5' C3' 1 7 T5' C4' parsed_1bcb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 10 T C1' 1 10 T C2' 1 10 T C3' 1 10 T C4' parsed_1bcb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 12 T3' C1' 1 12 T3' C2' 1 12 T3' C3' 1 12 T3' C4' parsed_1bcb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 13 T5' C1' 1 13 T5' C2' 1 13 T5' C3' 1 13 T5' C4' parsed_1bcb 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
;
NMR_dihedral
gamma
;
1 1 4 6 parsed_1bcb 1
2 "planarity constrains" 12 1 15 21 parsed_1bcb 1
3 "WC CG" 24 1 25 7 parsed_1bcb 1
4 hoogsteen 30 1 31 11 parsed_1bcb 1
5 V1 44 1 45 3 parsed_1bcb 1
6 V2 56 1 57 3 parsed_1bcb 1
stop_
save_
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