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 | stage | program | type | item_count |
|
|
35183 |
1l3y   |
5338 | cing | recoord | 2-parsed | STAR | dihedral angle | 22 |
data_1l3y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1l3y
_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_1l3y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1l3y
_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 1l3y "Master copy" parsed_1l3y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1l3y
_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 1l3y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1l3y 1
1 1l3y.mr . . XPLOR/CNS 2 distance NOE simple 287 parsed_1l3y 1
1 1l3y.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 12 parsed_1l3y 1
1 1l3y.mr . . XPLOR/CNS 4 distance NOE simple 230 parsed_1l3y 1
1 1l3y.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 6 parsed_1l3y 1
1 1l3y.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1l3y 1
1 1l3y.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1l3y 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1l3y
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1l3y 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1l3y 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1l3y 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1l3y 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1l3y 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1l3y 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1l3y 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1l3y 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1l3y 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1l3y 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1l3y 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1l3y 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1l3y 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1l3y 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1l3y 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1l3y 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1l3y 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1l3y 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1l3y 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1l3y 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1l3y 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1l3y 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 "J coupling = 12.2" 1 1 1 1 parsed_1l3y 1
2 "J coupling = 12.0" 8 1 8 1 parsed_1l3y 1
3 "J coupling = 10.2" 15 1 15 1 parsed_1l3y 1
4 "J coupling = 1.0" 22 1 22 1 parsed_1l3y 1
5 "J coupling = 12.7" 29 1 29 1 parsed_1l3y 1
6 "J coupling = 10.1" 36 1 36 1 parsed_1l3y 1
7 "J coupling = 9.3" 43 1 43 1 parsed_1l3y 1
8 "J coupling = 13.5" 50 1 50 1 parsed_1l3y 1
9 "J coupling = 14.6" 57 1 57 1 parsed_1l3y 1
10 "J coupling = 9.6" 64 1 64 1 parsed_1l3y 1
11 "J coupling = 12.8" 71 1 71 1 parsed_1l3y 1
12 "J coupling = 1.0" 78 1 78 1 parsed_1l3y 1
13 "J coupling = 13.2" 85 1 85 1 parsed_1l3y 1
14 "J coupling = 8.2" 92 1 92 1 parsed_1l3y 1
15 "J coupling = 13" 99 1 99 1 parsed_1l3y 1
16 "J coupling = 8.9" 106 1 106 1 parsed_1l3y 1
17 "J coupling = 13.3" 113 1 113 1 parsed_1l3y 1
18 "J coupling = 13.6" 120 1 120 1 parsed_1l3y 1
19 "J coupling = 1.0" 127 1 127 1 parsed_1l3y 1
20 "J coupling = 13.0" 134 1 134 1 parsed_1l3y 1
21 "J coupling = 9.6" 141 1 141 1 parsed_1l3y 1
22 "J coupling = 11.9" 148 1 148 1 parsed_1l3y 1
stop_
save_
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