NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
43397 | 2aqc | 6845 | cing | 2-parsed | STAR | distance | general distance | simple | 14 |
data_2aqc_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2aqc _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_2aqc 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2aqc _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 2aqc "Master copy" parsed_2aqc stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2aqc _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 2aqc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1 1 2aqc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1 1 2aqc.mr . . DYANA/DIANA 3 distance NOE simple 1048 parsed_2aqc 1 1 2aqc.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1 1 2aqc.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 28 parsed_2aqc 1 1 2aqc.mr . . DYANA/DIANA 6 distance "general distance" simple 14 parsed_2aqc 1 1 2aqc.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 28 parsed_2aqc 1 1 2aqc.mr . . DYANA/DIANA 8 distance "general distance" simple 14 parsed_2aqc 1 1 2aqc.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2aqc 1 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2aqc _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 8 _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_2aqc 1 2 1 . . . parsed_2aqc 1 3 1 . . . parsed_2aqc 1 4 1 . . . parsed_2aqc 1 5 1 . . . parsed_2aqc 1 6 1 . . . parsed_2aqc 1 7 1 . . . parsed_2aqc 1 8 1 . . . parsed_2aqc 1 9 1 . . . parsed_2aqc 1 10 1 . . . parsed_2aqc 1 11 1 . . . parsed_2aqc 1 12 1 . . . parsed_2aqc 1 13 1 . . . parsed_2aqc 1 14 1 . . . parsed_2aqc 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 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 1 1 2 . . . . . . . . . 12 CYS- CB parsed_2aqc 1 2 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 2 1 2 . . . . . . . . . 21 CYS- CB parsed_2aqc 1 3 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 3 1 2 . . . . . . . . . 24 CYS- CB parsed_2aqc 1 4 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 4 1 2 . . . . . . . . . 9 CYS- CB parsed_2aqc 1 5 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 5 1 2 . . . . . . . . . 12 CYS- SG parsed_2aqc 1 6 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 6 1 2 . . . . . . . . . 21 CYS- SG parsed_2aqc 1 7 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 7 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1 8 1 1 . . . . . . . . . -13 ZINC ZN parsed_2aqc 1 8 1 2 . . . . . . . . . 9 CYS- SG parsed_2aqc 1 9 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1 9 1 2 . . . . . . . . . 12 CYS- SG parsed_2aqc 1 10 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1 10 1 2 . . . . . . . . . 21 CYS- SG parsed_2aqc 1 11 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1 11 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1 12 1 1 . . . . . . . . . 12 CYS- SG parsed_2aqc 1 12 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 1 13 1 1 . . . . . . . . . 12 CYS- SG parsed_2aqc 1 13 1 2 . . . . . . . . . 21 CYS- SG parsed_2aqc 1 14 1 1 . . . . . . . . . 21 CYS- SG parsed_2aqc 1 14 1 2 . . . . . . . . . 24 CYS- SG parsed_2aqc 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 . . . . . . . 3.5 parsed_2aqc 1 2 1 . . . . . . . 3.5 parsed_2aqc 1 3 1 . . . . . . . 3.5 parsed_2aqc 1 4 1 . . . . . . . 3.5 parsed_2aqc 1 5 1 . . . . . . . 2.4 parsed_2aqc 1 6 1 . . . . . . . 2.4 parsed_2aqc 1 7 1 . . . . . . . 2.4 parsed_2aqc 1 8 1 . . . . . . . 2.4 parsed_2aqc 1 9 1 . . . . . . . 3.80 parsed_2aqc 1 10 1 . . . . . . . 3.80 parsed_2aqc 1 11 1 . . . . . . . 3.80 parsed_2aqc 1 12 1 . . . . . . . 3.80 parsed_2aqc 1 13 1 . . . . . . . 3.80 parsed_2aqc 1 14 1 . . . . . . . 3.80 parsed_2aqc 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 "Lower Limit Restraints: mjnop10 Zn2+ restraints" 2 1 2 48 parsed_2aqc 1 2 ----------------------------------------------------------------- 3 1 3 66 parsed_2aqc 1 3 "ZN Ligands" 4 1 4 34 parsed_2aqc 1 4 ----------------------------------------------------------------- 5 1 5 66 parsed_2aqc 1 5 5.00E+00 6 29 6 37 parsed_2aqc 1 6 5.00E+00 7 29 7 37 parsed_2aqc 1 7 5.00E+00 8 29 8 37 parsed_2aqc 1 8 5.00E+00 9 28 9 36 parsed_2aqc 1 9 5.00E+00 10 29 10 37 parsed_2aqc 1 10 5.00E+00 11 29 11 37 parsed_2aqc 1 11 5.00E+00 12 29 12 37 parsed_2aqc 1 12 5.00E+00 13 28 13 36 parsed_2aqc 1 13 ----------------------------------------------------------------- 14 1 14 66 parsed_2aqc 1 14 "ZN Geometry" 15 1 15 35 parsed_2aqc 1 15 ----------------------------------------------------------------- 16 1 16 66 parsed_2aqc 1 16 5.00E+00 17 33 17 41 parsed_2aqc 1 17 5.00E+00 18 33 18 41 parsed_2aqc 1 18 5.00E+00 19 33 19 41 parsed_2aqc 1 19 5.00E+00 20 34 20 42 parsed_2aqc 1 20 5.00E+00 21 34 21 42 parsed_2aqc 1 21 5.00E+00 22 34 22 42 parsed_2aqc 1 22 ----------------------------------------------------------------- 23 1 23 66 parsed_2aqc 1 stop_ save_
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