NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
31811 | 1f3c | 4911 | cing | 2-parsed | STAR | dihedral angle | 51 |
data_1f3c_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1f3c _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_1f3c 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1f3c _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 1f3c "Master copy" parsed_1f3c stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1f3c _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 1f3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 2 distance NOE simple 3500 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 178 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1f3c 1 1 1f3c.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f3c 1 1 1f3c.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1f3c 1 1 1f3c.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f3c 1 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1f3c _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 14 . c CHA2 15 . n CHA2 15 . ca CHA2 15 . c parsed_1f3c 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 15 . c CHA2 16 . n CHA2 16 . ca CHA2 16 . c parsed_1f3c 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 16 . c CHA2 17 . n CHA2 17 . ca CHA2 17 . c parsed_1f3c 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 17 . c CHA2 18 . n CHA2 18 . ca CHA2 18 . c parsed_1f3c 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 18 . c CHA2 19 . n CHA2 19 . ca CHA2 19 . c parsed_1f3c 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 19 . c CHA2 20 . n CHA2 20 . ca CHA2 20 . c parsed_1f3c 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 20 . c CHA2 21 . n CHA2 21 . ca CHA2 21 . c parsed_1f3c 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 21 . c CHA2 22 . n CHA2 22 . ca CHA2 22 . c parsed_1f3c 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 22 . c CHA2 23 . n CHA2 23 . ca CHA2 23 . c parsed_1f3c 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 23 . c CHA2 24 . n CHA2 24 . ca CHA2 24 . c parsed_1f3c 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 24 . c CHA2 25 . n CHA2 25 . ca CHA2 25 . c parsed_1f3c 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 25 . c CHA2 26 . n CHA2 26 . ca CHA2 26 . c parsed_1f3c 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 26 . c CHA2 27 . n CHA2 27 . ca CHA2 27 . c parsed_1f3c 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 27 . c CHA2 28 . n CHA2 28 . ca CHA2 28 . c parsed_1f3c 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 28 . c CHA2 29 . n CHA2 29 . ca CHA2 29 . c parsed_1f3c 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 29 . c CHA2 30 . n CHA2 30 . ca CHA2 30 . c parsed_1f3c 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 30 . c CHA2 31 . n CHA2 31 . ca CHA2 31 . c parsed_1f3c 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 34 . c CHA2 35 . n CHA2 35 . ca CHA2 35 . c parsed_1f3c 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 35 . c CHA2 36 . n CHA2 36 . ca CHA2 36 . c parsed_1f3c 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 36 . c CHA2 37 . n CHA2 37 . ca CHA2 37 . c parsed_1f3c 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 37 . c CHA2 38 . n CHA2 38 . ca CHA2 38 . c parsed_1f3c 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 38 . c CHA2 39 . n CHA2 39 . ca CHA2 39 . c parsed_1f3c 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 39 . c CHA2 40 . n CHA2 40 . ca CHA2 40 . c parsed_1f3c 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 40 . c CHA2 41 . n CHA2 41 . ca CHA2 41 . c parsed_1f3c 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 41 . c CHA2 42 . n CHA2 42 . ca CHA2 42 . c parsed_1f3c 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 42 . c CHA2 43 . n CHA2 43 . ca CHA2 43 . c parsed_1f3c 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 43 . c CHA2 44 . n CHA2 44 . ca CHA2 44 . c parsed_1f3c 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 44 . c CHA2 45 . n CHA2 45 . ca CHA2 45 . c parsed_1f3c 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 45 . c CHA2 46 . n CHA2 46 . ca CHA2 46 . c parsed_1f3c 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 46 . c CHA2 47 . n CHA2 47 . ca CHA2 47 . c parsed_1f3c 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 47 . c CHA2 48 . n CHA2 48 . ca CHA2 48 . c parsed_1f3c 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA2 48 . c CHA2 49 . n CHA2 49 . ca CHA2 49 . c parsed_1f3c 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 53 . c CHA2 54 . n CHA2 54 . ca CHA2 54 . c parsed_1f3c 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 54 . c CHA2 55 . n CHA2 55 . ca CHA2 55 . c parsed_1f3c 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 55 . c CHA2 56 . n CHA2 56 . ca CHA2 56 . c parsed_1f3c 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 56 . c CHA2 57 . n CHA2 57 . ca CHA2 57 . c parsed_1f3c 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 57 . c CHA2 58 . n CHA2 58 . ca CHA2 58 . c parsed_1f3c 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 62 . c CHA2 63 . n CHA2 63 . ca CHA2 63 . c parsed_1f3c 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 63 . c CHA2 64 . n CHA2 64 . ca CHA2 64 . c parsed_1f3c 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 65 . c CHA2 66 . n CHA2 66 . ca CHA2 66 . c parsed_1f3c 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 66 . c CHA2 67 . n CHA2 67 . ca CHA2 67 . c parsed_1f3c 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 75 . c CHA2 76 . n CHA2 76 . ca CHA2 76 . c parsed_1f3c 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 76 . c CHA2 77 . n CHA2 77 . ca CHA2 77 . c parsed_1f3c 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 77 . c CHA2 78 . n CHA2 78 . ca CHA2 78 . c parsed_1f3c 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 79 . c CHA2 80 . n CHA2 80 . ca CHA2 80 . c parsed_1f3c 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 80 . c CHA2 81 . n CHA2 81 . ca CHA2 81 . c parsed_1f3c 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 81 . c CHA2 82 . n CHA2 82 . ca CHA2 82 . c parsed_1f3c 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 82 . c CHA2 83 . n CHA2 83 . ca CHA2 83 . c parsed_1f3c 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 83 . c CHA2 84 . n CHA2 84 . ca CHA2 84 . c parsed_1f3c 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 84 . c CHA2 85 . n CHA2 85 . ca CHA2 85 . c parsed_1f3c 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA2 86 . c CHA2 87 . n CHA2 87 . ca CHA2 87 . c parsed_1f3c 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 ; phi.tbl for monomer A monomer a ; 1 1 3 12 parsed_1f3c 1 2 ; 12-13 : helix assign (segid CHA2 and resid 12 and name c ) (segid CHA2 and resid 13 and name n ) (segid CHA2 and resid 13 and name ca ) (segid CHA2 and resid 13 and name c ) 1 -60.0 30.0 2 13-14 : helix assign (segid CHA2 and resid 13 and name c ) (segid CHA2 and resid 14 and name n ) (segid CHA2 and resid 14 and name ca ) (segid CHA2 and resid 14 and name c ) 1 -60.0 30.0 2 14-15 : helix ; 5 1 11 16 parsed_1f3c 1 3 "15-16 : helix" 14 1 14 16 parsed_1f3c 1 4 "16-17 : helix" 17 1 17 16 parsed_1f3c 1 5 "17-18 : helix" 20 1 20 16 parsed_1f3c 1 6 "18-19 : helix" 23 1 23 16 parsed_1f3c 1 7 "19-20 : helix" 26 1 26 16 parsed_1f3c 1 8 "20-21 : helix" 29 1 29 16 parsed_1f3c 1 9 "21-22 : helix" 32 1 32 16 parsed_1f3c 1 10 "22-23 : helix" 35 1 35 16 parsed_1f3c 1 11 "23-24 : helix" 38 1 38 16 parsed_1f3c 1 12 "24-25 : helix" 41 1 41 16 parsed_1f3c 1 13 "25-26 : helix" 44 1 44 16 parsed_1f3c 1 14 "26-27 : helix" 47 1 47 16 parsed_1f3c 1 15 "27-28 : helix" 50 1 50 16 parsed_1f3c 1 16 "28-29 : helix" 53 1 53 16 parsed_1f3c 1 17 "29-30 : helix" 56 1 56 16 parsed_1f3c 1 18 "30-31 : helix" 59 1 59 16 parsed_1f3c 1 19 "34-35 : helix" 63 1 63 16 parsed_1f3c 1 20 "35-36 : helix" 67 1 67 16 parsed_1f3c 1 21 "36-37 : helix" 70 1 70 16 parsed_1f3c 1 22 "37-38 : helix" 73 1 73 16 parsed_1f3c 1 23 "38-39 : helix" 76 1 76 16 parsed_1f3c 1 24 "39-40 : helix" 79 1 79 16 parsed_1f3c 1 25 "40-41 : helix" 82 1 82 16 parsed_1f3c 1 26 "41-42 : helix" 85 1 85 16 parsed_1f3c 1 27 "42-43 : helix" 88 1 88 16 parsed_1f3c 1 28 "43-44 : helix" 91 1 91 16 parsed_1f3c 1 29 "44-45 : helix" 94 1 94 16 parsed_1f3c 1 30 "45-46 : helix" 97 1 97 16 parsed_1f3c 1 31 "46-47 : helix" 100 1 100 16 parsed_1f3c 1 32 "47-48 : helix" 103 1 103 16 parsed_1f3c 1 33 "48-49 : helix" 106 1 106 16 parsed_1f3c 1 34 ; 49-50 : helix assign (segid CHA2 and resid 49 and name c ) (segid CHA2 and resid 50 and name n ) (segid CHA2 and resid 50 and name ca ) (segid CHA2 and resid 50 and name c ) 1 -60.0 30.0 2 50-51 : helix assign (segid CHA2 and resid 50 and name c ) (segid CHA2 and resid 51 and name n ) (segid CHA2 and resid 51 and name ca ) (segid CHA2 and resid 51 and name c ) 1 -60.0 30.0 2 53-54 : strand ; 109 1 116 17 parsed_1f3c 1 35 "54-55 : strand" 120 1 120 17 parsed_1f3c 1 36 "55-56 : strand" 124 1 124 17 parsed_1f3c 1 37 "56-57 : strand" 128 1 128 17 parsed_1f3c 1 38 "57-58 : strand" 132 1 132 17 parsed_1f3c 1 39 "62-63 : strand" 136 1 136 17 parsed_1f3c 1 40 "63-64 : strand" 140 1 140 17 parsed_1f3c 1 41 "65-66 : strand" 144 1 144 17 parsed_1f3c 1 42 "66-67 : strand" 148 1 148 17 parsed_1f3c 1 43 "75-76 : strand" 152 1 152 17 parsed_1f3c 1 44 "76-77 : strand" 156 1 156 17 parsed_1f3c 1 45 "77-78 : strand" 160 1 160 17 parsed_1f3c 1 46 "79-80 : strand" 164 1 164 17 parsed_1f3c 1 47 "80-81 : strand" 168 1 168 17 parsed_1f3c 1 48 "81-82 : strand" 172 1 172 17 parsed_1f3c 1 49 "82-83 : strand" 176 1 176 17 parsed_1f3c 1 50 "83-84 : strand" 180 1 180 17 parsed_1f3c 1 51 "84-85 : strand" 184 1 184 17 parsed_1f3c 1 52 "86-87 : strand" 188 1 188 17 parsed_1f3c 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 "restraints dihedral reset" 4 1 4 25 parsed_1f3c 1 stop_ save_
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