NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
34891 | 1kos | 4984 | cing | 2-parsed | STAR | dihedral angle | 4 |
data_1kos_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1kos _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_1kos 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1kos _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 1kos "Master copy" parsed_1kos stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1kos _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 1kos.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 2 distance NOE simple 252 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 26 parsed_1kos 1 1 1kos.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1kos 1 1 1kos.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 9 stereochemistry chirality "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1kos 1 1 1kos.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1kos 1 1 1kos.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 4 parsed_1kos 1 1 1kos.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kos 1 stop_ save_ save_CNS/XPLOR_dihedral_13 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1kos _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 13 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H41 . $namin . N4 . $namin . C4 . $namin . N3 parsed_1kos 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H42 . $namin . N4 . $namin . C4 . $namin . C5 parsed_1kos 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H61 . $namin . N6 . $namin . C6 . $namin . N1 parsed_1kos 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H62 . $namin . N6 . $namin . C6 . $namin . C5 parsed_1kos 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 "message=on echo=on" 48 1 48 26 parsed_1kos 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; for $namin in (1 8 12 13 15) loop amino restraints dihedral scale= 1.0 ; 1 1 5 11 parsed_1kos 1 2 ; end end loop amino for $namin in (10 14 16) loop amino restraints dihedral scale= 1.0 ; 19 1 28 11 parsed_1kos 1 3 ; end end loop amino ; 43 1 45 14 parsed_1kos 1 stop_ save_
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