NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
529991 |
4a53   |
18041 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_4a53_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4a53
_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_4a53 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4a53
_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 4a53 "Master copy" parsed_4a53
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4a53
_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 4a53.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4a53 1
1 4a53.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 118 parsed_4a53 1
1 4a53.mr . . unknown 3 distance "hydrogen bond" simple 0 parsed_4a53 1
1 4a53.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 28 parsed_4a53 1
1 4a53.mr . . XPLOR/CNS 5 distance NOE simple 327 parsed_4a53 1
1 4a53.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_4a53 1
1 4a53.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_4a53 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_4a53
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_4a53 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg parsed_4a53 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . n . 2 . ca . 2 . cb . 2 . og parsed_4a53 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg1 parsed_4a53 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_4a53 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg1 parsed_4a53 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_4a53 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . ca . 14 . cb . 14 . cg . 14 . cd1 parsed_4a53 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_4a53 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 15 . ca . 15 . cb . 15 . cg . 15 . cd1 parsed_4a53 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_4a53 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . n . 17 . ca . 17 . cb . 17 . cg parsed_4a53 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_4a53 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 19 . n . 19 . ca . 19 . cb . 19 . og parsed_4a53 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_4a53 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg1 parsed_4a53 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg1 parsed_4a53 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 25 . ca . 25 . cb . 25 . cg1 . 25 . cd1 parsed_4a53 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 26 . n . 26 . ca . 26 . cb . 26 . og1 parsed_4a53 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_4a53 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_4a53 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_4a53 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 33 . n . 33 . ca . 33 . cb . 33 . og parsed_4a53 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg1 parsed_4a53 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . ca . 34 . cb . 34 . cg1 . 34 . cd1 parsed_4a53 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_4a53 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 35 . ca . 35 . cb . 35 . cg . 35 . cd1 parsed_4a53 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_4a53 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_4a53 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 37 . ca . 37 . cb . 37 . cg . 37 . cd1 parsed_4a53 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_4a53 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 39 . ca . 39 . cb . 39 . cg . 39 . cd1 parsed_4a53 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . n . 43 . ca . 43 . cb . 43 . og parsed_4a53 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 44 . n . 44 . ca . 44 . cb . 44 . og1 parsed_4a53 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 46 . n . 46 . ca . 46 . cb . 46 . og parsed_4a53 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg1 parsed_4a53 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 47 . ca . 47 . cb . 47 . cg1 . 47 . cd1 parsed_4a53 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg1 parsed_4a53 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_4a53 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg parsed_4a53 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 52 . n . 52 . ca . 52 . cb . 52 . cg1 parsed_4a53 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 52 . ca . 52 . cb . 52 . cg1 . 52 . cd1 parsed_4a53 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_4a53 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . n . 54 . ca . 54 . cb . 54 . cg parsed_4a53 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg parsed_4a53 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 55 . ca . 55 . cb . 55 . cg . 55 . cd1 parsed_4a53 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 57 . n . 57 . ca . 57 . cb . 57 . cg1 parsed_4a53 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 57 . ca . 57 . cb . 57 . cg1 . 57 . cd1 parsed_4a53 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg parsed_4a53 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 58 . ca . 58 . cb . 58 . cg . 58 . cd1 parsed_4a53 1
stop_
save_
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