NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
37413 | 1pis | cing | 2-parsed | STAR | distance | general distance | simple | 5 |
data_1pis_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1pis _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_1pis 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1pis _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 1pis "Master copy" parsed_1pis stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1pis _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 1pis.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pis 1 1 1pis.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1pis 1 1 1pis.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1pis 1 1 1pis.mr . . DISCOVER 4 distance NOE simple 1727 parsed_1pis 1 1 1pis.mr . . DISCOVER 5 distance "general distance" simple 5 parsed_1pis 1 1 1pis.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1pis 1 1 1pis.mr . . unknown 7 "molecular system" "Not applicable" "Not applicable" 0 parsed_1pis 1 1 1pis.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pis 1 stop_ save_ save_Discover_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1pis _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_1pis 1 2 1 . . . parsed_1pis 1 3 1 . . . parsed_1pis 1 4 1 . . . parsed_1pis 1 5 1 . . . parsed_1pis 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 . . . . . . . . 1 125 CA C1 parsed_1pis 1 1 1 2 . . . . . . . . 1 28 TYR O parsed_1pis 1 2 1 1 . . . . . . . . 1 125 CA C1 parsed_1pis 1 2 1 2 . . . . . . . . 1 30 GLY O parsed_1pis 1 3 1 1 . . . . . . . . 1 125 CA C1 parsed_1pis 1 3 1 2 . . . . . . . . 1 32 GLY O parsed_1pis 1 4 1 1 . . . . . . . . 1 125 CA C1 parsed_1pis 1 4 1 2 . . . . . . . . 1 49 ASP OD1 parsed_1pis 1 5 1 1 . . . . . . . . 1 125 CA C1 parsed_1pis 1 5 1 2 . . . . . . . . 1 49 ASP OD2 parsed_1pis 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 . . . . . 4.000 3.000 4.000 parsed_1pis 1 2 1 . . . . . 4.000 3.000 4.000 parsed_1pis 1 3 1 . . . . . 4.000 3.000 4.000 parsed_1pis 1 4 1 . . . . . 4.000 3.000 4.000 parsed_1pis 1 5 1 . . . . . 4.000 3.000 4.000 parsed_1pis 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 ; Constraints for calcium obtained from crystal structure Only used during refinement of DG structures ; 1 1 2 45 parsed_1pis 1 stop_ save_
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