NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
38117 | 1qwa | cing | 2-parsed | STAR | dihedral angle | 71 |
data_1qwa_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1qwa _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_1qwa 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1qwa _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 1qwa "Master copy" parsed_1qwa stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1qwa _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 1qwa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 2 distance NOE simple 490 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 71 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qwa 1 1 1qwa.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1qwa 1 1 1qwa.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qwa 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1qwa _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -100.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1qwa 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -138.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1qwa 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -138.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_1qwa 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_1qwa 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -138.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_1qwa 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_1qwa 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1qwa 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_1qwa 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1qwa 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_1qwa 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_1qwa 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_1qwa 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_1qwa 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_1qwa 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_1qwa 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_1qwa 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_1qwa 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -138.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_1qwa 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 19 . O4' . 19 . C1' . 19 . N1 . 19 . C2 parsed_1qwa 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -138.0 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_1qwa 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -115.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_1qwa 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_1qwa 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_1qwa 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_1qwa 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_1qwa 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_1qwa 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_1qwa 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_1qwa 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . P . 9 . O5' . 9 . C5' . 9 . C4' parsed_1qwa 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_1qwa 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_1qwa 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_1qwa 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_1qwa 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_1qwa 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_1qwa 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . P . 20 . O5' . 20 . C5' . 20 . C4' parsed_1qwa 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . P . 21 . O5' . 21 . C5' . 21 . C4' parsed_1qwa 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1qwa 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1qwa 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1qwa 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1qwa 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1qwa 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1qwa 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1qwa 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1qwa 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -113.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1qwa 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -68.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1qwa 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1qwa 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1qwa 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.0 -88.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_1qwa 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -77.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_1qwa 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_1qwa 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_1qwa 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_1qwa 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_1qwa 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -123.0 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_1qwa 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1qwa 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1qwa 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1qwa 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1qwa 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1qwa 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1qwa 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1qwa 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1qwa 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1qwa 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_1qwa 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_1qwa 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_1qwa 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_1qwa 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 20 . O5' . 20 . C5' . 20 . C4' . 20 . C3' parsed_1qwa 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 84.0 . . 21 . O5' . 21 . C5' . 21 . C4' . 21 . C3' parsed_1qwa 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 "b2_xchidi.dihe{*all bases except G12 and loosely constrinaed to anti*}" 1 1 1 72 parsed_1qwa 1 2 ; {full anti range} {-60 to -180} ; 5 57 6 23 parsed_1qwa 1 3 ; assign (resi 12 and name O5' ) (resi 12 and name C5' ) (resi 12 and name C4' ) (resi 12 and name C3' ) 1.0 180.0 30.0 2 assign (resi 13 and name O5' ) (resi 13 and name C5' ) (resi 13 and name C4' ) (resi 13 and name C3' ) 1.0 180.0 30.0 2 ; 325 2 333 58 parsed_1qwa 1 stop_ save_
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