NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
39603 | 1tit | cing | recoord | 2-parsed | STAR | distance | NOE | ambi | 49 |
data_1tit_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1tit _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_1tit 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1tit _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 1tit "Master copy" parsed_1tit stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1tit _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 1tit.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1tit 1 1 1tit.mr . . XPLOR/CNS 2 distance NOE simple 631 parsed_1tit 1 1 1tit.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_1tit 1 1 1tit.mr . . XPLOR/CNS 4 distance NOE ambi 49 parsed_1tit 1 1 1tit.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1tit 1 1 1tit.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1tit 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1tit _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_1tit 1 2 1 . . . parsed_1tit 1 3 1 . . . parsed_1tit 1 4 1 . . . parsed_1tit 1 5 1 . . . parsed_1tit 1 6 1 . . . parsed_1tit 1 7 1 . . . parsed_1tit 1 8 1 . . . parsed_1tit 1 9 1 . . . parsed_1tit 1 10 1 . . . parsed_1tit 1 11 1 . . . parsed_1tit 1 12 1 . . . parsed_1tit 1 13 1 . . . parsed_1tit 1 14 1 . . . parsed_1tit 1 15 1 . . . parsed_1tit 1 16 1 . . . parsed_1tit 1 17 1 . . . parsed_1tit 1 18 1 . . . parsed_1tit 1 19 1 . . . parsed_1tit 1 20 1 . . . parsed_1tit 1 21 1 . . . parsed_1tit 1 22 1 . . . parsed_1tit 1 23 1 . . . parsed_1tit 1 24 1 . . . parsed_1tit 1 25 1 . . . parsed_1tit 1 26 1 . . . parsed_1tit 1 27 1 . . . parsed_1tit 1 28 1 . . . parsed_1tit 1 29 1 . . . parsed_1tit 1 30 1 . . . parsed_1tit 1 31 1 . . . parsed_1tit 1 32 1 . . . parsed_1tit 1 33 1 . . . parsed_1tit 1 34 1 . . . parsed_1tit 1 35 1 . . . parsed_1tit 1 36 1 . . . parsed_1tit 1 37 1 . . . parsed_1tit 1 38 1 . . . parsed_1tit 1 39 1 . . . parsed_1tit 1 40 1 . . . parsed_1tit 1 41 1 . . . parsed_1tit 1 42 1 . . . parsed_1tit 1 43 1 . . . parsed_1tit 1 44 1 . . . parsed_1tit 1 45 1 . . . parsed_1tit 1 46 1 . . . parsed_1tit 1 47 1 . . . parsed_1tit 1 48 1 . . . parsed_1tit 1 49 1 . . . parsed_1tit 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 . . . . . . . . . 9 . hb# parsed_1tit 1 1 1 1 . . . . . . . . . 13 . hb parsed_1tit 1 1 1 2 . . . . . . . . . 11 . he# parsed_1tit 1 2 1 1 . . . . . . . . . 16 . hd# parsed_1tit 1 2 1 1 . . . . . . . . . 16 . he# parsed_1tit 1 2 1 2 . . . . . . . . . 16 . hn parsed_1tit 1 3 1 1 . . . . . . . . . 16 . ha parsed_1tit 1 3 1 2 . . . . . . . . . 16 . hd# parsed_1tit 1 3 1 2 . . . . . . . . . 16 . he# parsed_1tit 1 4 1 1 . . . . . . . . . 10 . hd1# parsed_1tit 1 4 1 1 . . . . . . . . . 13 . hg2# parsed_1tit 1 4 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 4 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 5 1 1 . . . . . . . . . 10 . hd1# parsed_1tit 1 5 1 1 . . . . . . . . . 13 . hg2# parsed_1tit 1 5 1 2 . . . . . . . . . 23 . hd# parsed_1tit 1 6 1 1 . . . . . . . . . 13 . hn parsed_1tit 1 6 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 6 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 7 1 1 . . . . . . . . . 13 . hb parsed_1tit 1 7 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 7 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 8 1 1 . . . . . . . . . 13 . hg1# parsed_1tit 1 8 1 1 . . . . . . . . . 60 . hb1 parsed_1tit 1 8 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 8 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 9 1 1 . . . . . . . . . 13 . hg1# parsed_1tit 1 9 1 1 . . . . . . . . . 60 . hb1 parsed_1tit 1 9 1 2 . . . . . . . . . 23 . hd# parsed_1tit 1 10 1 1 . . . . . . . . . 25 . hg2# parsed_1tit 1 10 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 10 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 10 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 11 1 1 . . . . . . . . . 27 . hg parsed_1tit 1 11 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 11 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 11 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 12 1 1 . . . . . . . . . 27 . hd1# parsed_1tit 1 12 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 12 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 12 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 13 1 1 . . . . . . . . . 27 . hd2# parsed_1tit 1 13 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 13 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 13 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 14 1 1 . . . . . . . . . 27 . hd2# parsed_1tit 1 14 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 14 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 14 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 15 1 1 . . . . . . . . . 34 . ha1 parsed_1tit 1 15 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 15 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 15 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 16 1 1 . . . . . . . . . 34 . hn parsed_1tit 1 16 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 16 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 16 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 17 1 1 . . . . . . . . . 34 . ha1 parsed_1tit 1 17 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 17 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 17 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 18 1 1 . . . . . . . . . 58 . hb1 parsed_1tit 1 18 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 18 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 18 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 19 1 1 . . . . . . . . . 60 . hd# parsed_1tit 1 19 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 19 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 20 1 1 . . . . . . . . . 73 . hg1# parsed_1tit 1 20 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 20 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 21 1 1 . . . . . . . . . 73 . hg2# parsed_1tit 1 21 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 21 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 22 1 1 . . . . . . . . . 73 . hg2# parsed_1tit 1 22 1 2 . . . . . . . . . 38 . hd# parsed_1tit 1 22 1 2 . . . . . . . . . 67 . hd2# parsed_1tit 1 23 1 1 . . . . . . . . . 84 . hb# parsed_1tit 1 23 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 23 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 24 1 1 . . . . . . . . . 86 . ha parsed_1tit 1 24 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 24 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 25 1 1 . . . . . . . . . 86 . hb# parsed_1tit 1 25 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 25 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 26 1 1 . . . . . . . . . 86 . hg parsed_1tit 1 26 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 26 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 27 1 1 . . . . . . . . . 89 . hb2 parsed_1tit 1 27 1 2 . . . . . . . . . 16 . hd# parsed_1tit 1 27 1 2 . . . . . . . . . 16 . he# parsed_1tit 1 28 1 1 . . . . . . . . . 89 . hb1 parsed_1tit 1 28 1 2 . . . . . . . . . 16 . hd# parsed_1tit 1 28 1 2 . . . . . . . . . 16 . he# parsed_1tit 1 29 1 1 . . . . . . . . . 91 . hd1# parsed_1tit 1 29 1 2 . . . . . . . . . 16 . hd# parsed_1tit 1 29 1 2 . . . . . . . . . 16 . he# parsed_1tit 1 30 1 1 . . . . . . . . . 75 . hd# parsed_1tit 1 30 1 1 . . . . . . . . . 75 . he# parsed_1tit 1 30 1 1 . . . . . . . . . 75 . hz parsed_1tit 1 30 1 2 . . . . . . . . . 36 . he1 parsed_1tit 1 31 1 1 . . . . . . . . . 75 . hd# parsed_1tit 1 31 1 1 . . . . . . . . . 75 . he# parsed_1tit 1 31 1 1 . . . . . . . . . 75 . hz parsed_1tit 1 31 1 2 . . . . . . . . . 36 . HD1 parsed_1tit 1 32 1 1 . . . . . . . . . 75 . hd# parsed_1tit 1 32 1 1 . . . . . . . . . 75 . he# parsed_1tit 1 32 1 1 . . . . . . . . . 75 . hz parsed_1tit 1 32 1 2 . . . . . . . . . 58 . he1 parsed_1tit 1 33 1 1 . . . . . . . . . 77 . hb# parsed_1tit 1 33 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 33 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 33 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 34 1 1 . . . . . . . . . 77 . hb# parsed_1tit 1 34 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 34 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 34 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 35 1 1 . . . . . . . . . 62 . hd1# parsed_1tit 1 35 1 1 . . . . . . . . . 86 . hd2# parsed_1tit 1 35 1 2 . . . . . . . . . 23 . he# parsed_1tit 1 35 1 2 . . . . . . . . . 23 . hz parsed_1tit 1 36 1 1 . . . . . . . . . 62 . hd1# parsed_1tit 1 36 1 1 . . . . . . . . . 86 . hd2# parsed_1tit 1 36 1 2 . . . . . . . . . 23 . hd# parsed_1tit 1 37 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 37 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 37 1 2 . . . . . . . . . 25 . hg2# parsed_1tit 1 38 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 38 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 38 1 2 . . . . . . . . . 26 . hn parsed_1tit 1 39 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 39 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 39 1 2 . . . . . . . . . 75 . hd# parsed_1tit 1 39 1 2 . . . . . . . . . 75 . he# parsed_1tit 1 39 1 2 . . . . . . . . . 75 . hz parsed_1tit 1 40 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 40 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 40 1 2 . . . . . . . . . 9 . ha parsed_1tit 1 41 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 41 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 41 1 2 . . . . . . . . . 10 . hd2# parsed_1tit 1 42 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 42 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 42 1 2 . . . . . . . . . 10 . hn parsed_1tit 1 43 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 43 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 43 1 2 . . . . . . . . . 82 . hb2 parsed_1tit 1 44 1 1 . . . . . . . . . 25 . hd1# parsed_1tit 1 44 1 1 . . . . . . . . . 25 . hg12 parsed_1tit 1 44 1 2 . . . . . . . . . 82 . hb1 parsed_1tit 1 45 1 1 . . . . . . . . . 38 . hd# parsed_1tit 1 45 1 1 . . . . . . . . . 86 . hd2# parsed_1tit 1 45 1 2 . . . . . . . . . 73 . hg2# parsed_1tit 1 46 1 1 . . . . . . . . . 51 . hg11 parsed_1tit 1 46 1 1 . . . . . . . . . 51 . hg2# parsed_1tit 1 46 1 2 . . . . . . . . . 52 . hn parsed_1tit 1 47 1 1 . . . . . . . . . 51 . hg11 parsed_1tit 1 47 1 1 . . . . . . . . . 51 . hg2# parsed_1tit 1 47 1 2 . . . . . . . . . 36 . he1 parsed_1tit 1 48 1 1 . . . . . . . . . 51 . hg11 parsed_1tit 1 48 1 1 . . . . . . . . . 51 . hg2# parsed_1tit 1 48 1 2 . . . . . . . . . 36 . hd1 parsed_1tit 1 49 1 1 . . . . . . . . . 51 . hg11 parsed_1tit 1 49 1 1 . . . . . . . . . 51 . hg2# parsed_1tit 1 49 1 2 . . . . . . . . . 60 . hd# parsed_1tit 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 . . . . . 3.70 -4.30 4.20 parsed_1tit 1 2 1 . . . . . 3.20 -4.80 3.70 parsed_1tit 1 3 1 . . . . . 2.70 -5.30 3.20 parsed_1tit 1 4 1 . . . . . 3.60 -4.40 4.10 parsed_1tit 1 5 1 . . . . . 3.30 -4.70 3.80 parsed_1tit 1 6 1 . . . . . 4.50 -3.50 5.00 parsed_1tit 1 7 1 . . . . . 4.10 -3.90 4.60 parsed_1tit 1 8 1 . . . . . 4.00 -4.00 4.50 parsed_1tit 1 9 1 . . . . . 4.80 -3.20 5.30 parsed_1tit 1 10 1 . . . . . 3.60 -4.40 4.10 parsed_1tit 1 11 1 . . . . . 3.80 -4.20 4.30 parsed_1tit 1 12 1 . . . . . 3.00 -5.00 3.50 parsed_1tit 1 13 1 . . . . . 2.80 -5.20 3.30 parsed_1tit 1 14 1 . . . . . 3.20 -4.80 3.70 parsed_1tit 1 15 1 . . . . . 4.40 -3.60 4.90 parsed_1tit 1 16 1 . . . . . 3.80 -4.20 4.30 parsed_1tit 1 17 1 . . . . . 4.30 -3.70 4.80 parsed_1tit 1 18 1 . . . . . 4.80 -3.20 5.30 parsed_1tit 1 19 1 . . . . . 5.30 -2.70 5.80 parsed_1tit 1 20 1 . . . . . 4.70 -3.30 5.20 parsed_1tit 1 21 1 . . . . . 4.10 -3.90 4.60 parsed_1tit 1 22 1 . . . . . 2.90 -5.10 3.40 parsed_1tit 1 23 1 . . . . . 2.60 -5.40 3.10 parsed_1tit 1 24 1 . . . . . 4.30 -3.70 4.80 parsed_1tit 1 25 1 . . . . . 4.00 -4.00 4.50 parsed_1tit 1 26 1 . . . . . 3.80 -4.20 4.30 parsed_1tit 1 27 1 . . . . . 3.20 -4.80 3.70 parsed_1tit 1 28 1 . . . . . 3.60 -4.40 4.10 parsed_1tit 1 29 1 . . . . . 2.70 -5.30 3.20 parsed_1tit 1 30 1 . . . . . 3.60 -4.40 4.10 parsed_1tit 1 31 1 . . . . . 4.20 -3.80 4.70 parsed_1tit 1 32 1 . . . . . 3.90 -4.10 4.40 parsed_1tit 1 33 1 . . . . . 3.00 -5.00 3.50 parsed_1tit 1 34 1 . . . . . 2.70 -5.30 3.20 parsed_1tit 1 35 1 . . . . . 3.50 -4.50 4.00 parsed_1tit 1 36 1 . . . . . 3.50 -4.50 4.00 parsed_1tit 1 37 1 . . . . . 2.30 -5.70 2.80 parsed_1tit 1 38 1 . . . . . 3.20 -4.80 3.70 parsed_1tit 1 39 1 . . . . . 3.70 -4.30 4.20 parsed_1tit 1 40 1 . . . . . 3.00 -5.00 3.50 parsed_1tit 1 41 1 . . . . . 3.00 -5.00 3.50 parsed_1tit 1 42 1 . . . . . 3.60 -4.40 4.10 parsed_1tit 1 43 1 . . . . . 2.50 -5.50 3.00 parsed_1tit 1 44 1 . . . . . 2.60 -5.40 3.10 parsed_1tit 1 45 1 . . . . . 2.80 -5.20 3.30 parsed_1tit 1 46 1 . . . . . 3.30 -4.70 3.80 parsed_1tit 1 47 1 . . . . . 3.20 -4.80 3.70 parsed_1tit 1 48 1 . . . . . 3.00 -5.00 3.50 parsed_1tit 1 49 1 . . . . . 2.60 -5.40 3.10 parsed_1tit 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 ; ! ambiguous distance restraints ! the residue numbers are shifted by 2 ! with respect to the deposited sequence ! (i.e. Leu1 -> resid 3; Ile2 -> resid 4 etc.) ; 1 1 4 48 parsed_1tit 1 stop_ save_
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