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 |
|
|
40035 |
1uao   |
5694 | cing | 2-parsed | STAR | dihedral angle | 12 |
data_1uao_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1uao
_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_1uao 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1uao
_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 1uao "Master copy" parsed_1uao
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1uao
_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 1uao.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1uao 1
1 1uao.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1uao 1
1 1uao.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 2 parsed_1uao 1
1 1uao.mr . . XPLOR/CNS 4 distance NOE simple 172 parsed_1uao 1
1 1uao.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1uao 1
1 1uao.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_1uao 1
1 1uao.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1uao 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1uao
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 2 . n . 2 . ca . 2 . cb . 2 . cg parsed_1uao 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1uao 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg parsed_1uao 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 8 . n . 8 . ca . 8 . cb . 8 . cg parsed_1uao 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg parsed_1uao 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -50.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1uao 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1uao 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -50.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1uao 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1uao 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 170.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1uao 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1uao 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1uao 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
;
! Chi1
! Y02
;
1 1 2 7 parsed_1uao 1
2 "! D03" 5 1 5 7 parsed_1uao 1
3 "! T06" 8 1 8 7 parsed_1uao 1
4 "! T08" 12 1 12 7 parsed_1uao 1
5 "! W09" 16 1 16 7 parsed_1uao 1
6
;
! Phi
! 2
;
20 1 21 9 parsed_1uao 1
7 "! 3" 24 2 24 9 parsed_1uao 1
8 "! 5" 27 2 27 9 parsed_1uao 1
9 "! 6" 30 2 30 9 parsed_1uao 1
10 "! 7" 33 2 33 9 parsed_1uao 1
11 "! 8" 36 2 36 9 parsed_1uao 1
12 "! 9" 39 2 39 9 parsed_1uao 1
stop_
save_
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