NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
29609 |
1b4r   |
4478 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 32 |
data_1b4r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1b4r
_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_1b4r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1b4r
_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 1b4r "Master copy" parsed_1b4r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1b4r
_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 1b4r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b4r 1
1 1b4r.mr . . XPLOR/CNS 2 distance NOE simple 697 parsed_1b4r 1
1 1b4r.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 78 parsed_1b4r 1
1 1b4r.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_1b4r 1
1 1b4r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b4r 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1b4r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 9 . og1 . 9 . cb . 9 . ca . 9 . n parsed_1b4r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 10 . cg . 10 . cb . 10 . ca . 10 . n parsed_1b4r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1b4r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1b4r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1b4r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1b4r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 26 . cg . 26 . cb . 26 . ca . 26 . n parsed_1b4r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1b4r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1b4r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1b4r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 39 . cg . 39 . cb . 39 . ca . 39 . n parsed_1b4r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 40 . cg . 40 . cb . 40 . ca . 40 . n parsed_1b4r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1b4r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 42 . cg . 42 . cb . 42 . ca . 42 . n parsed_1b4r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1b4r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1b4r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1b4r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 48 . cg . 48 . cb . 48 . ca . 48 . n parsed_1b4r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1b4r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1b4r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1b4r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 64 . cg . 64 . cb . 64 . ca . 64 . n parsed_1b4r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1b4r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1b4r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1b4r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1b4r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 76 . og . 76 . cb . 76 . ca . 76 . n parsed_1b4r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1b4r 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1b4r 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 81 . og1 . 81 . cb . 81 . ca . 81 . n parsed_1b4r 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_1b4r 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_1b4r 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 "dihedral restraints" 1 1 1 22 parsed_1b4r 1
stop_
save_
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