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 |
|
|
281741 |
2kqt   |
16612 | cing | 2-parsed | STAR | dihedral angle | 8 |
data_2kqt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqt
_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_2kqt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqt
_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 2kqt "Master copy" parsed_2kqt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqt
_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 2kqt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqt 1
1 2kqt.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_2kqt 1
1 2kqt.mr . . XPLOR/CNS 3 distance "general distance" simple 0 parsed_2kqt 1
1 2kqt.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqt 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kqt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . a 27 . n a 27 . ca a 27 . cb a 27 . cg1 parsed_2kqt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . a 28 . n a 28 . ca a 28 . cb a 28 . cg1 parsed_2kqt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . b 27 . n b 27 . ca b 27 . cb b 27 . cg1 parsed_2kqt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . b 28 . n b 28 . ca b 28 . cb b 28 . cg1 parsed_2kqt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . c 27 . n c 27 . ca c 27 . cb c 27 . cg1 parsed_2kqt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . c 28 . n c 28 . ca c 28 . cb c 28 . cg1 parsed_2kqt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . d 27 . n d 27 . ca d 27 . cb d 27 . cg1 parsed_2kqt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . d 28 . n d 28 . ca d 28 . cb d 28 . cg1 parsed_2kqt 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 angle restraints
! 27
;
1 1 2 6 parsed_2kqt 1
2 "! 28" 5 1 5 6 parsed_2kqt 1
3 "! 27" 8 1 8 6 parsed_2kqt 1
4 "! 28" 11 1 11 6 parsed_2kqt 1
5 "! 27" 14 1 14 6 parsed_2kqt 1
6 "! 28" 17 1 17 6 parsed_2kqt 1
7 "! 27" 20 1 20 6 parsed_2kqt 1
8 "! 28" 23 1 23 6 parsed_2kqt 1
stop_
save_
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