NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
47567 | 2h3q | 5960 | cing | 2-parsed | STAR | distance | general distance | simple | 31 |
data_2h3q_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2h3q _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_2h3q 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2h3q _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 2h3q "Master copy" parsed_2h3q stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2h3q _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 2h3q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2h3q 1 1 2h3q.mr . . DYANA/DIANA 2 distance NOE simple 826 parsed_2h3q 1 1 2h3q.mr . . DYANA/DIANA 3 distance "general distance" simple 31 parsed_2h3q 1 1 2h3q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2h3q 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2h3q _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_2h3q 1 2 1 . . . parsed_2h3q 1 3 1 . . . parsed_2h3q 1 4 1 . . . parsed_2h3q 1 5 1 . . . parsed_2h3q 1 6 1 . . . parsed_2h3q 1 7 1 . . . parsed_2h3q 1 8 1 . . . parsed_2h3q 1 9 1 . . . parsed_2h3q 1 10 1 . . . parsed_2h3q 1 11 1 . . . parsed_2h3q 1 12 1 . . . parsed_2h3q 1 13 1 . . . parsed_2h3q 1 14 1 . . . parsed_2h3q 1 15 1 . . . parsed_2h3q 1 16 1 . . . parsed_2h3q 1 17 1 . . . parsed_2h3q 1 18 1 . . . parsed_2h3q 1 19 1 . . . parsed_2h3q 1 20 1 . . . parsed_2h3q 1 21 1 . . . parsed_2h3q 1 22 1 . . . parsed_2h3q 1 23 1 . . . parsed_2h3q 1 24 1 . . . parsed_2h3q 1 25 1 . . . parsed_2h3q 1 26 1 . . . parsed_2h3q 1 27 1 . . . parsed_2h3q 1 28 1 . . . parsed_2h3q 1 29 1 . . . parsed_2h3q 1 30 1 . . . parsed_2h3q 1 31 1 . . . parsed_2h3q 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 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1 1 1 2 . . . . . . . . . 300 PIPB H81 parsed_2h3q 1 2 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1 2 1 2 . . . . . . . . . 300 PIPB H82 parsed_2h3q 1 3 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1 3 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1 4 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1 4 1 2 . . . . . . . . . 29 TYR HE1 parsed_2h3q 1 5 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1 5 1 2 . . . . . . . . . 77 SER QB parsed_2h3q 1 6 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1 6 1 2 . . . . . . . . . 36 TRP HD1 parsed_2h3q 1 7 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1 7 1 2 . . . . . . . . . 36 TRP HE1 parsed_2h3q 1 8 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1 8 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1 9 1 1 . . . . . . . . . 300 PIPB C1' parsed_2h3q 1 9 1 2 . . . . . . . . . 36 TRP HD1 parsed_2h3q 1 10 1 1 . . . . . . . . . 300 PIPB H1'1 parsed_2h3q 1 10 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1 11 1 1 . . . . . . . . . 300 PIPB H1'2 parsed_2h3q 1 11 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1 12 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1 12 1 2 . . . . . . . . . 29 TYR HE1 parsed_2h3q 1 13 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1 13 1 2 . . . . . . . . . 36 TRP HE3 parsed_2h3q 1 14 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1 14 1 2 . . . . . . . . . 36 TRP HZ3 parsed_2h3q 1 15 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1 15 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1 16 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1 16 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1 17 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1 17 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1 18 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1 18 1 2 . . . . . . . . . 27 LYS QE parsed_2h3q 1 19 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1 19 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1 20 1 1 . . . . . . . . . 300 PIPB H3 parsed_2h3q 1 20 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1 21 1 1 . . . . . . . . . 300 PIPB H3 parsed_2h3q 1 21 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1 22 1 1 . . . . . . . . . 300 PIPB H5 parsed_2h3q 1 22 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1 23 1 1 . . . . . . . . . 300 PIPB H5 parsed_2h3q 1 23 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1 24 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1 24 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1 25 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1 25 1 2 . . . . . . . . . 27 LYS QE parsed_2h3q 1 26 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1 26 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1 27 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1 27 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1 28 1 1 . . . . . . . . . 300 PIPB OP2 parsed_2h3q 1 28 1 2 . . . . . . . . . 27 LYS HZ1 parsed_2h3q 1 29 1 1 . . . . . . . . . 300 PIPB OP3 parsed_2h3q 1 29 1 2 . . . . . . . . . 27 LYS HZ1 parsed_2h3q 1 30 1 1 . . . . . . . . . 300 PIPB O41 parsed_2h3q 1 30 1 2 . . . . . . . . . 22 ARG HE parsed_2h3q 1 31 1 1 . . . . . . . . . 300 PIPB O51 parsed_2h3q 1 31 1 2 . . . . . . . . . 76 ARG HH22 parsed_2h3q 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 . . . . . . . 2.7 parsed_2h3q 1 2 1 . . . . . . . 2.7 parsed_2h3q 1 3 1 . . . . . . . 3.8 parsed_2h3q 1 4 1 . . . . . . . 3.8 parsed_2h3q 1 5 1 . . . . . . . 5.5 parsed_2h3q 1 6 1 . . . . . . . 5.0 parsed_2h3q 1 7 1 . . . . . . . 5.0 parsed_2h3q 1 8 1 . . . . . . . 5.0 parsed_2h3q 1 9 1 . . . . . . . 5.5 parsed_2h3q 1 10 1 . . . . . . . 3.3 parsed_2h3q 1 11 1 . . . . . . . 3.3 parsed_2h3q 1 12 1 . . . . . . . 5.5 parsed_2h3q 1 13 1 . . . . . . . 5.5 parsed_2h3q 1 14 1 . . . . . . . 5.5 parsed_2h3q 1 15 1 . . . . . . . 3.3 parsed_2h3q 1 16 1 . . . . . . . 5.0 parsed_2h3q 1 17 1 . . . . . . . 5.0 parsed_2h3q 1 18 1 . . . . . . . 3.3 parsed_2h3q 1 19 1 . . . . . . . 3.3 parsed_2h3q 1 20 1 . . . . . . . 3.3 parsed_2h3q 1 21 1 . . . . . . . 5.0 parsed_2h3q 1 22 1 . . . . . . . 5.0 parsed_2h3q 1 23 1 . . . . . . . 5.0 parsed_2h3q 1 24 1 . . . . . . . 5.0 parsed_2h3q 1 25 1 . . . . . . . 5.0 parsed_2h3q 1 26 1 . . . . . . . 5.0 parsed_2h3q 1 27 1 . . . . . . . 5.0 parsed_2h3q 1 28 1 . . . . . . . 3.0 parsed_2h3q 1 29 1 . . . . . . . 3.0 parsed_2h3q 1 30 1 . . . . . . . 3.0 parsed_2h3q 1 31 1 . . . . . . . 3.0 parsed_2h3q 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 "########### PIPB NOEs and Restraints #######################" 1 1 1 62 parsed_2h3q 1 2 "Intramolecular PIPB NOEs" 3 1 3 26 parsed_2h3q 1 3 "300 PIPB H3'1 300 PIPB H1'1 2.7 1.00E+00" 7 1 7 41 parsed_2h3q 1 4 "Intermolecular PIPB NOEs" 9 1 9 26 parsed_2h3q 1 5 "stronger than QD1" 32 37 32 54 parsed_2h3q 1 6 "Intermolecular H-bonds and salt bridges" 39 1 39 41 parsed_2h3q 1 7 "300 PIPB OP2 33 HISB HE2 3.0 1.00E+00" 40 1 40 38 parsed_2h3q 1 stop_ save_
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