NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
32476 | 1g47 | 4884 | cing | 2-parsed | STAR | dihedral angle | 33 |
data_1g47_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1g47 _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_1g47 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1g47 _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 1g47 "Master copy" parsed_1g47 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1g47 _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 1g47.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1g47 1 1 1g47.mr . . XPLOR/CNS 2 distance NOE simple 1105 parsed_1g47 1 1 1g47.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_1g47 1 1 1g47.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_1g47 1 1 1g47.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1g47 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1g47 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1g47 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -35 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1g47 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102 -22 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1g47 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1g47 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1g47 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1g47 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -196 -116 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1g47 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -60 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1g47 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -58 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1g47 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1g47 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1g47 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1g47 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1g47 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1g47 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1g47 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -35 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1g47 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -32 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1g47 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215 -135 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1g47 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -60 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1g47 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1g47 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -26 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1g47 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -46 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1g47 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 -54 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1g47 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -35 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1g47 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 17 . n . 17 . ca . 17 . cb . 17 . cg parsed_1g47 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg1 parsed_1g47 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg parsed_1g47 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1g47 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1g47 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 35 . n . 35 . ca . 35 . cb . 35 . sg parsed_1g47 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 38 . n . 38 . ca . 38 . cb . 38 . sg parsed_1g47 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 59 . n . 59 . ca . 59 . cb . 59 . sg parsed_1g47 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_1g47 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 ; dihedral angle restraints. when performing calculations, distance retraints (above) and angle restraints (below) should be kept in separate files, they are here in a single file for PDB deposition. phi angle constraints obtained from corresponding coupling constants in the course of calculations. ! m1 ! a2 ! n3 ! a4 ! l5 ! a6 ! s7 ! a8 ! t9 ; 1 1 17 11 parsed_1g47 1 2 "! c10" 20 3 20 12 parsed_1g47 1 3 "! e11" 23 3 23 12 parsed_1g47 1 4 ; ! r12 ! c13 ; 26 3 27 12 parsed_1g47 1 5 "! k14" 30 3 30 12 parsed_1g47 1 6 ; ! g15 ! g16 ! f17 ; 33 3 35 12 parsed_1g47 1 7 "! a18" 38 3 38 12 parsed_1g47 1 8 ; ! p19 ! a20 ! e21 ; 41 3 43 12 parsed_1g47 1 9 "! k22" 46 3 46 12 parsed_1g47 1 10 ; ! i23 ! v24 ; 49 3 50 12 parsed_1g47 1 11 "! n25" 53 3 53 12 parsed_1g47 1 12 "! s26" 56 3 56 12 parsed_1g47 1 13 ; ! n27 ! g28 ! e29 ; 59 3 61 12 parsed_1g47 1 14 "! l30" 64 3 64 12 parsed_1g47 1 15 "! y31" 67 3 67 12 parsed_1g47 1 16 ; ! h32 ! e33 ; 70 3 71 12 parsed_1g47 1 17 ; ! q34 ! c35 ! f36 ! v37 ! c38 ! a39 ; 74 3 79 12 parsed_1g47 1 18 ; ! q40 ! c41 ! f42 ! q43 ! q44 ! f45 ; 82 3 87 12 parsed_1g47 1 19 ; ! p46 ! e47 ! g48 ! l49 ! f50 ! y51 ! e52 ! f53 ! e54 ; 90 3 98 12 parsed_1g47 1 20 ; ! g55 ! r56 ; 101 3 102 12 parsed_1g47 1 21 ; ! k57 ! y58 ! c59 ! e60 ; 105 3 108 12 parsed_1g47 1 22 ; ! h61 ! d62 ! f63 ! q64 ; 111 3 114 12 parsed_1g47 1 23 "! m65" 117 3 117 12 parsed_1g47 1 24 "! l66" 120 3 120 12 parsed_1g47 1 25 ; ! f67 ! a68 ! p69 ! c70 chi1 angle constraints, obtained from stereo assignments ! f17 ; 123 3 131 9 parsed_1g47 1 26 "! v24" 135 3 135 9 parsed_1g47 1 27 "! n25" 138 3 138 9 parsed_1g47 1 28 "! l30" 141 3 141 9 parsed_1g47 1 29 "! y31" 144 3 144 9 parsed_1g47 1 30 "! c35" 148 3 148 9 parsed_1g47 1 31 "! c38" 151 3 151 9 parsed_1g47 1 32 "! c59" 155 3 155 9 parsed_1g47 1 33 "! l66" 159 3 159 9 parsed_1g47 1 stop_ save_
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