NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
29528 | 1ayk | cing | 2-parsed | STAR | distance | general distance | simple | 26 |
data_1ayk_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1ayk _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_1ayk 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1ayk _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 1ayk "Master copy" parsed_1ayk stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1ayk _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 1ayk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ayk 1 1 1ayk.mr . . XPLOR/CNS 2 distance NOE simple 2379 parsed_1ayk 1 1 1ayk.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 84 parsed_1ayk 1 1 1ayk.mr . . XPLOR/CNS 4 distance NOE simple 32 parsed_1ayk 1 1 1ayk.mr . . XPLOR/CNS 5 distance "general distance" simple 26 parsed_1ayk 1 1 1ayk.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ayk 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ayk _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1ayk 1 2 1 . . . parsed_1ayk 1 3 1 . . . parsed_1ayk 1 4 1 . . . parsed_1ayk 1 5 1 . . . parsed_1ayk 1 6 1 . . . parsed_1ayk 1 7 1 . . . parsed_1ayk 1 8 1 . . . parsed_1ayk 1 9 1 . . . parsed_1ayk 1 10 1 . . . parsed_1ayk 1 11 1 . . . parsed_1ayk 1 12 1 . . . parsed_1ayk 1 13 1 . . . parsed_1ayk 1 14 1 . . . parsed_1ayk 1 15 1 . . . parsed_1ayk 1 16 1 . . . parsed_1ayk 1 17 1 . . . parsed_1ayk 1 18 1 . . . parsed_1ayk 1 19 1 . . . parsed_1ayk 1 20 1 . . . parsed_1ayk 1 21 1 . . . parsed_1ayk 1 22 1 . . . parsed_1ayk 1 23 1 . . . parsed_1ayk 1 24 1 . . . parsed_1ayk 1 25 1 . . . parsed_1ayk 1 26 1 . . . parsed_1ayk 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 118 . ne2 parsed_1ayk 1 1 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 2 1 1 . . . . . . . . . 128 . ne2 parsed_1ayk 1 2 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 3 1 1 . . . . . . . . . 122 . ne2 parsed_1ayk 1 3 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 4 1 1 . . . . . . . . . 118 . nd1 parsed_1ayk 1 4 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 5 1 1 . . . . . . . . . 128 . nd1 parsed_1ayk 1 5 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 6 1 1 . . . . . . . . . 122 . nd1 parsed_1ayk 1 6 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 7 1 1 . . . . . . . . . 118 . ce1 parsed_1ayk 1 7 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 8 1 1 . . . . . . . . . 122 . ce1 parsed_1ayk 1 8 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 9 1 1 . . . . . . . . . 128 . ce1 parsed_1ayk 1 9 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 10 1 1 . . . . . . . . . 118 . cd2 parsed_1ayk 1 10 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 11 1 1 . . . . . . . . . 122 . cd2 parsed_1ayk 1 11 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 12 1 1 . . . . . . . . . 128 . cd2 parsed_1ayk 1 12 1 2 . . . . . . . . ZN1 1 . zn parsed_1ayk 1 13 1 1 . . . . . . . . . 68 . ne2 parsed_1ayk 1 13 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 14 1 1 . . . . . . . . . 68 . nd1 parsed_1ayk 1 14 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 15 1 1 . . . . . . . . . 83 . ne2 parsed_1ayk 1 15 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 16 1 1 . . . . . . . . . 83 . nd1 parsed_1ayk 1 16 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 17 1 1 . . . . . . . . . 83 . ce1 parsed_1ayk 1 17 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 18 1 1 . . . . . . . . . 96 . nd1 parsed_1ayk 1 18 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 19 1 1 . . . . . . . . . 96 . ne2 parsed_1ayk 1 19 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 20 1 1 . . . . . . . . . 98 . od2 parsed_1ayk 1 20 1 2 . . . . . . . . CA1 1 . ca parsed_1ayk 1 21 1 1 . . . . . . . . . 101 . oe2 parsed_1ayk 1 21 1 2 . . . . . . . . CA1 1 . ca parsed_1ayk 1 22 1 1 . . . . . . . . . 76 . o parsed_1ayk 1 22 1 2 . . . . . . . . CA1 1 . ca parsed_1ayk 1 23 1 1 . . . . . . . . . 78 . o parsed_1ayk 1 23 1 2 . . . . . . . . CA1 1 . ca parsed_1ayk 1 24 1 1 . . . . . . . . . 80 . o parsed_1ayk 1 24 1 2 . . . . . . . . CA1 1 . ca parsed_1ayk 1 25 1 1 . . . . . . . . . 96 . ce1 parsed_1ayk 1 25 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 26 1 1 . . . . . . . . . 96 . cd2 parsed_1ayk 1 26 1 2 . . . . . . . . ZN2 1 . zn parsed_1ayk 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.050 0.000 2.100 parsed_1ayk 1 2 1 . . . . . 1.050 0.000 2.100 parsed_1ayk 1 3 1 . . . . . 1.050 0.000 2.100 parsed_1ayk 1 4 1 . . . . . 4.175 4.050 4.300 parsed_1ayk 1 5 1 . . . . . 4.175 4.050 4.300 parsed_1ayk 1 6 1 . . . . . 4.175 4.050 4.300 parsed_1ayk 1 7 1 . . . . . 3.025 2.950 3.100 parsed_1ayk 1 8 1 . . . . . 3.025 2.950 3.100 parsed_1ayk 1 9 1 . . . . . 3.025 2.950 3.100 parsed_1ayk 1 10 1 . . . . . 3.025 2.900 3.150 parsed_1ayk 1 11 1 . . . . . 3.025 2.900 3.150 parsed_1ayk 1 12 1 . . . . . 3.025 2.900 3.150 parsed_1ayk 1 13 1 . . . . . 2.050 2.000 2.100 parsed_1ayk 1 14 1 . . . . . 4.100 4.050 4.150 parsed_1ayk 1 15 1 . . . . . 2.050 2.000 2.100 parsed_1ayk 1 16 1 . . . . . 4.100 4.080 4.120 parsed_1ayk 1 17 1 . . . . . 2.950 2.900 3.000 parsed_1ayk 1 18 1 . . . . . 2.050 2.000 2.100 parsed_1ayk 1 19 1 . . . . . 4.050 4.000 4.100 parsed_1ayk 1 20 1 . . . . . 2.20 1.00 2.50 parsed_1ayk 1 21 1 . . . . . 2.2 1.00 2.50 parsed_1ayk 1 22 1 . . . . . 2.2 1.00 2.50 parsed_1ayk 1 23 1 . . . . . 2.20 1.00 2.50 parsed_1ayk 1 24 1 . . . . . 2.20 1.00 2.50 parsed_1ayk 1 25 1 . . . . . 3.025 3.000 3.050 parsed_1ayk 1 26 1 . . . . . 4.275 4.250 4.300 parsed_1ayk 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "! ZN/CA Constraints" 1 1 1 22 parsed_1ayk 1 2 ; assign (resid 118 and name cg) (segi ZN1 and resid 1 and name zn) 4.175 0.075 0.075 assign (resid 122 and name cg) (segi ZN1 and resid 1 and name zn) 4.175 0.075 0.075 assign (resid 128 and name cg) (segi ZN1 and resid 1 and name zn) 4.175 0.075 0.075 assign (resid 70 and name od2) (segi ZN2 and resid 1 and name zn) 1.875 0.025 0.025 assign (resid 70 and name od1) (segi ZN2 and resid 1 and name zn) 3.100 0.050 0.050 assign (resid 70 and name cg) (segi ZN2 and resid 1 and name zn) 2.850 0.050 0.050 ; 14 1 19 85 parsed_1ayk 1 3 ; assign (resid 83 and name cb) (segi ZN2 and resid 1 and name zn) 5.625 0.025 0.025 assign (resid 83 and name cg) (segi ZN2 and resid 1 and name zn) 4.225 0.025 0.025 ; 24 1 25 85 parsed_1ayk 1 4 ; assign (resid 96 and name cg) (segi ZN2 and resid 1 and name zn) 3.100 0.050 0.050 assign (resid 136 and name sd) (segi ZN1 and resid 1 and name zn) 6.200 0.050 0.050 ; 36 1 37 86 parsed_1ayk 1 stop_ save_
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