NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
43822 | 2btx | 4195 | cing | 2-parsed | STAR | dihedral angle | 64 |
data_2btx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2btx _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_2btx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2btx _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 2btx "Master copy" parsed_2btx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2btx _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 2btx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2btx 1 1 2btx.mr . . XPLOR/CNS 2 distance "general distance" simple 1114 parsed_2btx 1 1 2btx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_2btx 1 1 2btx.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2btx 1 1 2btx.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_2btx 1 1 2btx.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2btx 1 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2btx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2btx 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2btx 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2btx 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2btx 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2btx 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2btx 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2btx 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2btx 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2btx 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2btx 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2btx 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2btx 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2btx 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2btx 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2btx 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2btx 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2btx 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2btx 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2btx 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2btx 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2btx 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2btx 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2btx 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2btx 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2btx 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2btx 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2btx 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2btx 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2btx 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2btx 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_2btx 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2btx 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2btx 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2btx 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 1 . n . 1 . ca . 1 . cb . 1 . cg1 parsed_2btx 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 2 . n . 2 . ca . 2 . cb . 2 . cg1 parsed_2btx 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_2btx 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 8 . n . 8 . ca . 8 . cb . 8 . og1 parsed_2btx 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg1 parsed_2btx 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg1 parsed_2btx 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 15 . n . 15 . ca . 15 . cb . 15 . og1 parsed_2btx 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . n . 16 . ca . 16 . cb . 16 . sg parsed_2btx 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 23 . n . 23 . ca . 23 . cb . 23 . sg parsed_2btx 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg parsed_2btx 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 26 . n . 26 . ca . 26 . cb . 26 . cg parsed_2btx 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_2btx 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 32 . n . 32 . ca . 32 . cb . 32 . cg parsed_2btx 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_2btx 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg1 parsed_2btx 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 40 . n . 40 . ca . 40 . cb . 40 . cg1 parsed_2btx 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_2btx 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 44 . n . 44 . ca . 44 . cb . 44 . sg parsed_2btx 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 48 . n . 48 . ca . 48 . cb . 48 . sg parsed_2btx 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 50 . n . 50 . ca . 50 . cb . 50 . og parsed_2btx 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 52 . n . 52 . ca . 52 . cb . 52 . cg parsed_2btx 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg parsed_2btx 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 59 . n . 59 . ca . 59 . cb . 59 . sg parsed_2btx 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 62 . n . 62 . ca . 62 . cb . 62 . og1 parsed_2btx 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 63 . n . 63 . ca . 63 . cb . 63 . cg parsed_2btx 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 70 . n . 70 . ca . 70 . cb . 70 . cg parsed_2btx 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 75 . n . 75 . ca . 75 . cb . 75 . cg parsed_2btx 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 77 . n . 77 . ca . 77 . cb . 77 . cg parsed_2btx 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 78 . n . 78 . ca . 78 . cb . 78 . cg parsed_2btx 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 83 . n . 83 . ca . 83 . cb . 83 . cg parsed_2btx 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 "!PHE 32" 1 1 1 9 parsed_2btx 1 2 "!SER 34" 4 1 4 9 parsed_2btx 1 3 "!SER 35" 7 1 7 9 parsed_2btx 1 4 "!ARG 36" 10 1 10 9 parsed_2btx 1 5 "!LYS 38" 13 1 13 9 parsed_2btx 1 6 "!VAL 39" 16 1 16 9 parsed_2btx 1 7 "!VAL 40" 19 1 19 9 parsed_2btx 1 8 "!GLU 41" 22 1 22 9 parsed_2btx 1 9 "!LEU 42" 25 1 25 9 parsed_2btx 1 10 "!CYS 44" 28 1 28 9 parsed_2btx 1 11 "!ALA 45" 31 1 31 9 parsed_2btx 1 12 "!ALA 46" 34 1 34 9 parsed_2btx 1 13 "!THR 47" 37 1 37 9 parsed_2btx 1 14 "!CYS 48" 40 1 40 9 parsed_2btx 1 15 "!LYS 51" 43 1 43 9 parsed_2btx 1 16 "!LYS 52" 46 1 46 9 parsed_2btx 1 17 "!TYR 54" 49 1 49 9 parsed_2btx 1 18 "!GLU 55" 52 1 52 9 parsed_2btx 1 19 "!GLU 56" 55 1 55 9 parsed_2btx 1 20 "!VAL 57" 58 1 58 9 parsed_2btx 1 21 "!THR 58" 61 1 61 9 parsed_2btx 1 22 "!CYS 59" 64 1 64 9 parsed_2btx 1 23 "!CYS 60" 67 1 67 9 parsed_2btx 1 24 "!SER 61" 70 1 70 9 parsed_2btx 1 25 "!THR 62" 73 1 73 9 parsed_2btx 1 26 "!CYS 65" 76 1 76 9 parsed_2btx 1 27 "!ASN 66" 79 1 79 9 parsed_2btx 1 28 "!GLN 71" 82 1 82 9 parsed_2btx 1 29 ; THE LIBRARY PEPTIDE (RESIDUES 75-87) !TYR 77 ; 86 1 88 9 parsed_2btx 1 30 "!TYR 78" 91 1 91 9 parsed_2btx 1 31 "!GLU 79" 94 1 94 9 parsed_2btx 1 32 "!LEU 82" 97 1 97 9 parsed_2btx 1 33 "!LYS 83" 100 1 100 9 parsed_2btx 1 34 "!TYR 85" 103 1 103 9 parsed_2btx 1 35 ; ! Chi1 angle constraint THE TOXIN MOLECULE (RESIDUES 1-74) ILE 1 ; 108 1 111 9 parsed_2btx 1 36 "VAL 2" 115 1 115 9 parsed_2btx 1 37 "HIS 4" 119 1 119 13 parsed_2btx 1 38 "THR 8" 123 1 123 13 parsed_2btx 1 39 "ILE 11" 127 1 127 9 parsed_2btx 1 40 "VAL 14" 131 1 131 9 parsed_2btx 1 41 "THR 15" 135 1 135 9 parsed_2btx 1 42 "CYS 16" 139 1 139 9 parsed_2btx 1 43 "CYS 23" 143 1 143 11 parsed_2btx 1 44 "ARG 25" 147 1 147 11 parsed_2btx 1 45 "LYS 26" 151 1 151 11 parsed_2btx 1 46 "MET 27" 155 1 155 9 parsed_2btx 1 47 "PHE 32" 159 1 159 11 parsed_2btx 1 48 "ARG 36" 163 1 163 10 parsed_2btx 1 49 "VAL 39" 167 1 167 9 parsed_2btx 1 50 "VAL 40" 171 1 171 9 parsed_2btx 1 51 "GLU 41" 175 1 175 9 parsed_2btx 1 52 "CYS 44" 179 1 179 10 parsed_2btx 1 53 "CYS 48" 183 1 183 9 parsed_2btx 1 54 "SER 50" 187 1 187 9 parsed_2btx 1 55 "LYS 52" 191 1 191 9 parsed_2btx 1 56 "GLU 55" 195 1 195 10 parsed_2btx 1 57 "CYS 59" 199 1 199 9 parsed_2btx 1 58 "THR 62" 203 1 203 10 parsed_2btx 1 59 "ASP 63" 207 1 207 9 parsed_2btx 1 60 "LYS 70" 211 1 211 10 parsed_2btx 1 61 ; THE LIBRARY PEPTIDE (RESIDUES 75-87) MET 75 ; 216 1 218 9 parsed_2btx 1 62 "TYR 77" 222 1 222 9 parsed_2btx 1 63 "TYR 78" 226 1 226 9 parsed_2btx 1 64 "LYS 83" 230 1 230 9 parsed_2btx 1 stop_ save_
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