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 |
|
|
38049 |
1qqv   |
4428 | cing | recoord | 2-parsed | STAR | dihedral angle | 19 |
data_1qqv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qqv
_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_1qqv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qqv
_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 1qqv "Master copy" parsed_1qqv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qqv
_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 1qqv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_1qqv 1
1 1qqv.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_1qqv 1
1 1qqv.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_1qqv 1
1 1qqv.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1qqv 1
1 1qqv.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1qqv 1
1 1qqv.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1qqv 1
1 1qqv.mr . . XPLOR/CNS 15 distance "hydrogen bond" simple 0 parsed_1qqv 1
1 1qqv.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qqv 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1qqv
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1qqv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1qqv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_1qqv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_1qqv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 40 . n . 40 . ca . 40 . cb . 40 . cg parsed_1qqv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1qqv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . n . 42 . ca . 42 . cb . 42 . cg parsed_1qqv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1qqv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg parsed_1qqv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg parsed_1qqv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1qqv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg parsed_1qqv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg parsed_1qqv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 60 . n . 60 . ca . 60 . cb . 60 . cg parsed_1qqv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 61 . n . 61 . ca . 61 . cb . 61 . cg parsed_1qqv 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 64 . n . 64 . ca . 64 . cb . 64 . cg parsed_1qqv 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 67 . n . 67 . ca . 67 . cb . 67 . cg parsed_1qqv 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 69 . n . 69 . ca . 69 . cb . 69 . cg parsed_1qqv 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . n . 76 . ca . 76 . cb . 76 . cg parsed_1qqv 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 !16 1 4 1 8 parsed_1qqv 1
2 !21 4 4 4 8 parsed_1qqv 1
3 !29 7 4 7 8 parsed_1qqv 1
4 !37 10 4 10 8 parsed_1qqv 1
5 !40 13 4 13 8 parsed_1qqv 1
6 !41 16 4 16 8 parsed_1qqv 1
7 !42 19 4 19 8 parsed_1qqv 1
8 !46 22 4 22 8 parsed_1qqv 1
9 !47 25 4 25 8 parsed_1qqv 1
10 !51 28 4 28 8 parsed_1qqv 1
11 !53 31 4 31 8 parsed_1qqv 1
12 !55 34 4 34 8 parsed_1qqv 1
13 !58 37 4 37 8 parsed_1qqv 1
14 !60 40 4 40 8 parsed_1qqv 1
15 !61 43 4 43 8 parsed_1qqv 1
16 !64 46 4 46 8 parsed_1qqv 1
17 !67 49 4 49 8 parsed_1qqv 1
18 !69 52 4 52 8 parsed_1qqv 1
19 !76 55 4 55 8 parsed_1qqv 1
stop_
save_
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