NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
33791 | 1iw4 | 5348 | cing | recoord | 2-parsed | STAR | dihedral angle | 62 |
data_1iw4_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1iw4 _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_1iw4 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1iw4 _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 1iw4 "Master copy" parsed_1iw4 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1iw4 _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 1iw4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1iw4 1 1 1iw4.mr . . XPLOR/CNS 2 distance NOE simple 508 parsed_1iw4 1 1 1iw4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 28 parsed_1iw4 1 1 1iw4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_1iw4 1 1 1iw4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1iw4 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1iw4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1iw4 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1iw4 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1iw4 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1iw4 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1iw4 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1iw4 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1iw4 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1iw4 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1iw4 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1iw4 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1iw4 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1iw4 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_1iw4 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1iw4 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1iw4 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1iw4 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1iw4 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1iw4 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1iw4 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1iw4 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1iw4 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1iw4 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1iw4 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_1iw4 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1iw4 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_1iw4 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1iw4 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1iw4 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1iw4 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1iw4 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1iw4 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1iw4 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1iw4 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1iw4 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1iw4 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1iw4 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1iw4 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1iw4 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1iw4 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1iw4 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1iw4 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1iw4 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_1iw4 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1iw4 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1iw4 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1iw4 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1iw4 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1iw4 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1iw4 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_1iw4 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1iw4 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 41 . n . 41 . ca . 41 . cb . 41 . sg parsed_1iw4 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1iw4 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1iw4 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1iw4 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1iw4 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1iw4 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1iw4 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 49 . n . 49 . ca . 49 . cb . 49 . cg parsed_1iw4 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1iw4 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1iw4 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg parsed_1iw4 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 restraints" 2 1 2 22 parsed_1iw4 1 2 "message=off echo=off" 4 1 4 28 parsed_1iw4 1 3 H2 6 1 6 4 parsed_1iw4 1 4 ; Phi M3 ; 8 72 10 4 parsed_1iw4 1 5 ; Phi D4 ; 12 72 15 4 parsed_1iw4 1 6 ; Phi C5 ; 17 72 20 4 parsed_1iw4 1 7 ; Phi E7 ; 22 72 25 4 parsed_1iw4 1 8 ; Phi F8 ; 27 72 29 4 parsed_1iw4 1 9 ; Phi N9 ; 31 72 34 4 parsed_1iw4 1 10 ; Phi L11 ; 36 72 38 5 parsed_1iw4 1 11 ; Phi C12 ; 40 75 43 5 parsed_1iw4 1 12 ; Phi R13 ; 45 71 48 5 parsed_1iw4 1 13 ; Phi C14 ; 50 74 52 5 parsed_1iw4 1 14 ; Phi N15 ; 54 71 57 5 parsed_1iw4 1 15 Phi 59 74 59 78 parsed_1iw4 1 16 ; Chi1 K16 ; 61 76 63 5 parsed_1iw4 1 17 ; Phi M17 ; 65 75 68 5 parsed_1iw4 1 18 ; Phi L18 ; 70 74 72 5 parsed_1iw4 1 19 Phi 74 71 74 75 parsed_1iw4 1 20 ; Chi 1 D20 ; 76 75 78 5 parsed_1iw4 1 21 ; Chi1 L21 ; 80 76 82 5 parsed_1iw4 1 22 ; Phi I22 ; 84 74 86 5 parsed_1iw4 1 23 ; Phi C23 ; 88 71 90 5 parsed_1iw4 1 24 Phi 92 71 92 75 parsed_1iw4 1 25 ; Psi A24 ; 94 69 97 5 parsed_1iw4 1 26 Phi 99 71 99 75 parsed_1iw4 1 27 ; Psi V25 ; 101 70 103 5 parsed_1iw4 1 28 Phi 105 71 105 75 parsed_1iw4 1 29 ; Psi I26 ; 107 70 109 5 parsed_1iw4 1 30 Phi 111 71 111 75 parsed_1iw4 1 31 ; Psi D28 ; 113 70 116 5 parsed_1iw4 1 32 ; Phi A29 ; 118 71 120 5 parsed_1iw4 1 33 Phi 122 71 122 75 parsed_1iw4 1 34 ; Psi K30 ; 124 70 126 5 parsed_1iw4 1 35 Phi 128 71 128 75 parsed_1iw4 1 36 ; Psi E31 ; 130 70 133 5 parsed_1iw4 1 37 Phi 135 74 135 78 parsed_1iw4 1 38 ; Psi E32 ; 137 70 139 5 parsed_1iw4 1 39 Phi 141 74 141 78 parsed_1iw4 1 40 ; Psi H33 ; 143 70 145 5 parsed_1iw4 1 41 ; Phi R34 ; 147 74 149 5 parsed_1iw4 1 42 ; Phi N35 ; 151 74 153 5 parsed_1iw4 1 43 Phi 155 74 155 78 parsed_1iw4 1 44 ; Chi 1 M36 ; 157 76 159 5 parsed_1iw4 1 45 Phi 161 73 161 77 parsed_1iw4 1 46 ; Psi C37 ; 163 70 165 5 parsed_1iw4 1 47 Phi 167 73 167 77 parsed_1iw4 1 48 ; Psi A38 ; 169 70 172 5 parsed_1iw4 1 49 Phi 174 73 174 77 parsed_1iw4 1 50 ; Psi L39 ; 176 70 178 5 parsed_1iw4 1 51 Phi 180 73 180 77 parsed_1iw4 1 52 Psi 182 70 182 74 parsed_1iw4 1 53 ; Chi1 C41 ; 184 75 186 5 parsed_1iw4 1 54 Phi 188 73 188 77 parsed_1iw4 1 55 ; Chi1 H43 ; 190 75 192 5 parsed_1iw4 1 56 ; Phi F47 ; 194 74 196 5 parsed_1iw4 1 57 ; Phi E48 ; 198 75 200 5 parsed_1iw4 1 58 Phi 202 74 202 78 parsed_1iw4 1 59 ; Psi Y49 ; 204 70 207 5 parsed_1iw4 1 60 Phi 209 74 209 78 parsed_1iw4 1 61 Psi 211 70 211 74 parsed_1iw4 1 62 ; Chi1 S50 ; 213 75 215 5 parsed_1iw4 1 63 Phi 217 74 217 78 parsed_1iw4 1 64 ; Psi N51 ; 219 70 222 5 parsed_1iw4 1 65 Chi1 224 76 224 81 parsed_1iw4 1 stop_ save_
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