NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
553916 | 2ls0 | 18404 | cing | 2-parsed | STAR | distance | general distance | ambi | 12 |
data_2ls0_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ls0 _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_2ls0 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ls0 _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 2ls0 "Master copy" parsed_2ls0 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ls0 _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 2ls0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 2 distance NOE simple 1954 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 67 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 187 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 6 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 7 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2ls0 1 1 2ls0.mr . . XPLOR/CNS 8 distance "general distance" ambi 12 parsed_2ls0 1 1 2ls0.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ls0 1 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ls0 _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_2ls0 1 2 1 . . . parsed_2ls0 1 3 1 . . . parsed_2ls0 1 4 1 . . . parsed_2ls0 1 5 1 . . . parsed_2ls0 1 6 1 . . . parsed_2ls0 1 7 1 . . . parsed_2ls0 1 8 1 . . . parsed_2ls0 1 9 1 . . . parsed_2ls0 1 10 1 . . . parsed_2ls0 1 11 1 . . . parsed_2ls0 1 12 1 . . . parsed_2ls0 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 . . . . . . . . . 22 . HB2 parsed_2ls0 1 1 1 2 . . . . . . . . . 126 . CD2 parsed_2ls0 1 1 1 2 . . . . . . . . . 126 . CE1 parsed_2ls0 1 2 1 1 . . . . . . . . . 24 . HB1 parsed_2ls0 1 2 1 2 . . . . . . . . . 81 . CD2 parsed_2ls0 1 2 1 2 . . . . . . . . . 81 . CE1 parsed_2ls0 1 3 1 1 . . . . . . . . . 30 . HB2 parsed_2ls0 1 3 1 2 . . . . . . . . . 50 . CD1 parsed_2ls0 1 3 1 2 . . . . . . . . . 50 . CD2 parsed_2ls0 1 3 1 2 . . . . . . . . . 50 . CE2 parsed_2ls0 1 4 1 1 . . . . . . . . . 31 . HB2 parsed_2ls0 1 4 1 2 . . . . . . . . . 36 . CD1 parsed_2ls0 1 4 1 2 . . . . . . . . . 36 . CH2 parsed_2ls0 1 4 1 2 . . . . . . . . . 36 . CZ3 parsed_2ls0 1 5 1 1 . . . . . . . . . 31 . HG2 parsed_2ls0 1 5 1 2 . . . . . . . . . 36 . CD1 parsed_2ls0 1 5 1 2 . . . . . . . . . 36 . CH2 parsed_2ls0 1 5 1 2 . . . . . . . . . 36 . CZ3 parsed_2ls0 1 6 1 1 . . . . . . . . . 32 . HD1# parsed_2ls0 1 6 1 2 . . . . . . . . . 50 . CD1 parsed_2ls0 1 6 1 2 . . . . . . . . . 50 . CH2 parsed_2ls0 1 6 1 2 . . . . . . . . . 50 . CZ3 parsed_2ls0 1 7 1 1 . . . . . . . . . 39 . HG# parsed_2ls0 1 7 1 2 . . . . . . . . . 48 . CD2 parsed_2ls0 1 7 1 2 . . . . . . . . . 48 . CE1 parsed_2ls0 1 8 1 1 . . . . . . . . . 55 . HD# parsed_2ls0 1 8 1 2 . . . . . . . . . 108 . CD2 parsed_2ls0 1 8 1 2 . . . . . . . . . 108 . CE1 parsed_2ls0 1 9 1 1 . . . . . . . . . 65 . HA parsed_2ls0 1 9 1 2 . . . . . . . . . 80 . CD2 parsed_2ls0 1 9 1 2 . . . . . . . . . 80 . CE1 parsed_2ls0 1 10 1 1 . . . . . . . . . 105 . HB2 parsed_2ls0 1 10 1 2 . . . . . . . . . 115 . CD1 parsed_2ls0 1 10 1 2 . . . . . . . . . 115 . CH2 parsed_2ls0 1 10 1 2 . . . . . . . . . 115 . CZ3 parsed_2ls0 1 11 1 1 . . . . . . . . . 105 . HG# parsed_2ls0 1 11 1 2 . . . . . . . . . 115 . CD1 parsed_2ls0 1 11 1 2 . . . . . . . . . 115 . CH2 parsed_2ls0 1 11 1 2 . . . . . . . . . 115 . CZ3 parsed_2ls0 1 12 1 1 . . . . . . . . . 106 . HG1# parsed_2ls0 1 12 1 2 . . . . . . . . . 108 . CD2 parsed_2ls0 1 12 1 2 . . . . . . . . . 108 . CE1 parsed_2ls0 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 . . . . . 2.5 2.5 4.0 parsed_2ls0 1 2 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1 3 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1 4 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 5 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 6 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 7 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 8 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1 9 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1 10 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 11 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1 12 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 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 ; center average distance constraints to force protons over aromatic ring currents. MUST use CENTER averaging for these K22 HB2 over Y126 ring ; 1 1 4 24 parsed_2ls0 1 2 "Y24 HB1 over F81 ring" 7 1 7 23 parsed_2ls0 1 3 "Q30 HB2 over W50 5-ring" 10 1 10 25 parsed_2ls0 1 4 "K31 over W36 ring" 13 1 13 19 parsed_2ls0 1 5 "I32 over W50 ring" 17 1 17 21 parsed_2ls0 1 6 "R39 over F48 ring" 20 1 20 21 parsed_2ls0 1 7 "I55 methyl HD# over F108 ring" 23 1 23 31 parsed_2ls0 1 8 "S65 HA over Y80 ring" 26 1 26 22 parsed_2ls0 1 9 "Q105 over W115 ring" 29 1 29 21 parsed_2ls0 1 10 "V106 over 108 ring" 33 1 33 20 parsed_2ls0 1 stop_ save_
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