NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
36540 | 1nrb | 4043 | cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 66 |
data_1nrb_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1nrb _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_1nrb 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1nrb _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 1nrb "Master copy" parsed_1nrb stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1nrb _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 1nrb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nrb 1 1 1nrb.mr . . XPLOR/CNS 2 distance NOE simple 894 parsed_1nrb 1 1 1nrb.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 66 parsed_1nrb 1 1 1nrb.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1nrb 1 1 1nrb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nrb 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1nrb _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_1nrb 1 2 1 . . . parsed_1nrb 1 3 1 . . . parsed_1nrb 1 4 1 . . . parsed_1nrb 1 5 1 . . . parsed_1nrb 1 6 1 . . . parsed_1nrb 1 7 1 . . . parsed_1nrb 1 8 1 . . . parsed_1nrb 1 9 1 . . . parsed_1nrb 1 10 1 . . . parsed_1nrb 1 11 1 . . . parsed_1nrb 1 12 1 . . . parsed_1nrb 1 13 1 . . . parsed_1nrb 1 14 1 . . . parsed_1nrb 1 15 1 . . . parsed_1nrb 1 16 1 . . . parsed_1nrb 1 17 1 . . . parsed_1nrb 1 18 1 . . . parsed_1nrb 1 19 1 . . . parsed_1nrb 1 20 1 . . . parsed_1nrb 1 21 1 . . . parsed_1nrb 1 22 1 . . . parsed_1nrb 1 23 1 . . . parsed_1nrb 1 24 1 . . . parsed_1nrb 1 25 1 . . . parsed_1nrb 1 26 1 . . . parsed_1nrb 1 27 1 . . . parsed_1nrb 1 28 1 . . . parsed_1nrb 1 29 1 . . . parsed_1nrb 1 30 1 . . . parsed_1nrb 1 31 1 . . . parsed_1nrb 1 32 1 . . . parsed_1nrb 1 33 1 . . . parsed_1nrb 1 34 1 . . . parsed_1nrb 1 35 1 . . . parsed_1nrb 1 36 1 . . . parsed_1nrb 1 37 1 . . . parsed_1nrb 1 38 1 . . . parsed_1nrb 1 39 1 . . . parsed_1nrb 1 40 1 . . . parsed_1nrb 1 41 1 . . . parsed_1nrb 1 42 1 . . . parsed_1nrb 1 43 1 . . . parsed_1nrb 1 44 1 . . . parsed_1nrb 1 45 1 . . . parsed_1nrb 1 46 1 . . . parsed_1nrb 1 47 1 . . . parsed_1nrb 1 48 1 . . . parsed_1nrb 1 49 1 . . . parsed_1nrb 1 50 1 . . . parsed_1nrb 1 51 1 . . . parsed_1nrb 1 52 1 . . . parsed_1nrb 1 53 1 . . . parsed_1nrb 1 54 1 . . . parsed_1nrb 1 55 1 . . . parsed_1nrb 1 56 1 . . . parsed_1nrb 1 57 1 . . . parsed_1nrb 1 58 1 . . . parsed_1nrb 1 59 1 . . . parsed_1nrb 1 60 1 . . . parsed_1nrb 1 61 1 . . . parsed_1nrb 1 62 1 . . . parsed_1nrb 1 63 1 . . . parsed_1nrb 1 64 1 . . . parsed_1nrb 1 65 1 . . . parsed_1nrb 1 66 1 . . . parsed_1nrb 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 . . . . . . . . . 2 . HN parsed_1nrb 1 1 1 2 . . . . . . . . . 48 . O parsed_1nrb 1 2 1 1 . . . . . . . . . 2 . N parsed_1nrb 1 2 1 2 . . . . . . . . . 48 . O parsed_1nrb 1 3 1 1 . . . . . . . . . 48 . HN parsed_1nrb 1 3 1 2 . . . . . . . . . 2 . O parsed_1nrb 1 4 1 1 . . . . . . . . . 48 . N parsed_1nrb 1 4 1 2 . . . . . . . . . 2 . O parsed_1nrb 1 5 1 1 . . . . . . . . . 4 . HN parsed_1nrb 1 5 1 2 . . . . . . . . . 45 . O parsed_1nrb 1 6 1 1 . . . . . . . . . 4 . N parsed_1nrb 1 6 1 2 . . . . . . . . . 45 . O parsed_1nrb 1 7 1 1 . . . . . . . . . 45 . HN parsed_1nrb 1 7 1 2 . . . . . . . . . 4 . O parsed_1nrb 1 8 1 1 . . . . . . . . . 45 . N parsed_1nrb 1 8 1 2 . . . . . . . . . 4 . O parsed_1nrb 1 9 1 1 . . . . . . . . . 33 . HN parsed_1nrb 1 9 1 2 . . . . . . . . . 46 . O parsed_1nrb 1 10 1 1 . . . . . . . . . 33 . N parsed_1nrb 1 10 1 2 . . . . . . . . . 46 . O parsed_1nrb 1 11 1 1 . . . . . . . . . 46 . HN parsed_1nrb 1 11 1 2 . . . . . . . . . 33 . O parsed_1nrb 1 12 1 1 . . . . . . . . . 46 . N parsed_1nrb 1 12 1 2 . . . . . . . . . 33 . O parsed_1nrb 1 13 1 1 . . . . . . . . . 35 . HN parsed_1nrb 1 13 1 2 . . . . . . . . . 44 . O parsed_1nrb 1 14 1 1 . . . . . . . . . 35 . N parsed_1nrb 1 14 1 2 . . . . . . . . . 44 . O parsed_1nrb 1 15 1 1 . . . . . . . . . 44 . HN parsed_1nrb 1 15 1 2 . . . . . . . . . 35 . O parsed_1nrb 1 16 1 1 . . . . . . . . . 44 . N parsed_1nrb 1 16 1 2 . . . . . . . . . 35 . O parsed_1nrb 1 17 1 1 . . . . . . . . . 32 . HN parsed_1nrb 1 17 1 2 . . . . . . . . . 46 . O parsed_1nrb 1 18 1 1 . . . . . . . . . 32 . N parsed_1nrb 1 18 1 2 . . . . . . . . . 46 . O parsed_1nrb 1 19 1 1 . . . . . . . . . 42 . HN parsed_1nrb 1 19 1 2 . . . . . . . . . 37 . O parsed_1nrb 1 20 1 1 . . . . . . . . . 42 . N parsed_1nrb 1 20 1 2 . . . . . . . . . 37 . O parsed_1nrb 1 21 1 1 . . . . . . . . . 37 . HN parsed_1nrb 1 21 1 2 . . . . . . . . . 42 . O parsed_1nrb 1 22 1 1 . . . . . . . . . 37 . N parsed_1nrb 1 22 1 2 . . . . . . . . . 42 . O parsed_1nrb 1 23 1 1 . . . . . . . . . 23 . HN parsed_1nrb 1 23 1 2 . . . . . . . . . 19 . O parsed_1nrb 1 24 1 1 . . . . . . . . . 23 . N parsed_1nrb 1 24 1 2 . . . . . . . . . 19 . O parsed_1nrb 1 25 1 1 . . . . . . . . . 24 . HN parsed_1nrb 1 25 1 2 . . . . . . . . . 20 . O parsed_1nrb 1 26 1 1 . . . . . . . . . 24 . N parsed_1nrb 1 26 1 2 . . . . . . . . . 20 . O parsed_1nrb 1 27 1 1 . . . . . . . . . 25 . HN parsed_1nrb 1 27 1 2 . . . . . . . . . 21 . O parsed_1nrb 1 28 1 1 . . . . . . . . . 25 . N parsed_1nrb 1 28 1 2 . . . . . . . . . 21 . O parsed_1nrb 1 29 1 1 . . . . . . . . . 26 . HN parsed_1nrb 1 29 1 2 . . . . . . . . . 22 . O parsed_1nrb 1 30 1 1 . . . . . . . . . 26 . N parsed_1nrb 1 30 1 2 . . . . . . . . . 22 . O parsed_1nrb 1 31 1 1 . . . . . . . . . 27 . HN parsed_1nrb 1 31 1 2 . . . . . . . . . 23 . O parsed_1nrb 1 32 1 1 . . . . . . . . . 27 . N parsed_1nrb 1 32 1 2 . . . . . . . . . 23 . O parsed_1nrb 1 33 1 1 . . . . . . . . . 28 . HN parsed_1nrb 1 33 1 2 . . . . . . . . . 24 . O parsed_1nrb 1 34 1 1 . . . . . . . . . 28 . N parsed_1nrb 1 34 1 2 . . . . . . . . . 24 . O parsed_1nrb 1 35 1 1 . . . . . . . . . 29 . HN parsed_1nrb 1 35 1 2 . . . . . . . . . 25 . O parsed_1nrb 1 36 1 1 . . . . . . . . . 29 . N parsed_1nrb 1 36 1 2 . . . . . . . . . 25 . O parsed_1nrb 1 37 1 1 . . . . . . . . . 30 . HN parsed_1nrb 1 37 1 2 . . . . . . . . . 27 . O parsed_1nrb 1 38 1 1 . . . . . . . . . 30 . N parsed_1nrb 1 38 1 2 . . . . . . . . . 27 . O parsed_1nrb 1 39 1 1 . . . . . . . . . 31 . HN parsed_1nrb 1 39 1 2 . . . . . . . . . 26 . O parsed_1nrb 1 40 1 1 . . . . . . . . . 31 . N parsed_1nrb 1 40 1 2 . . . . . . . . . 26 . O parsed_1nrb 1 41 1 1 . . . . . . . . . 52 . HN parsed_1nrb 1 41 1 2 . . . . . . . . . 49 . O parsed_1nrb 1 42 1 1 . . . . . . . . . 52 . N parsed_1nrb 1 42 1 2 . . . . . . . . . 49 . O parsed_1nrb 1 43 1 1 . . . . . . . . . 41 . HN parsed_1nrb 1 43 1 2 . . . . . . . . . 38 . O parsed_1nrb 1 44 1 1 . . . . . . . . . 41 . N parsed_1nrb 1 44 1 2 . . . . . . . . . 38 . O parsed_1nrb 1 45 1 1 . . . . . . . . . 10 . HN parsed_1nrb 1 45 1 2 . . . . . . . . . 8 . OD1 parsed_1nrb 1 46 1 1 . . . . . . . . . 10 . N parsed_1nrb 1 46 1 2 . . . . . . . . . 8 . OD1 parsed_1nrb 1 47 1 1 . . . . . . . . . 12 . HN parsed_1nrb 1 47 1 2 . . . . . . . . . 8 . OD1 parsed_1nrb 1 48 1 1 . . . . . . . . . 12 . N parsed_1nrb 1 48 1 2 . . . . . . . . . 8 . OD1 parsed_1nrb 1 49 1 1 . . . . . . . . . 11 . HN parsed_1nrb 1 49 1 2 . . . . . . . . . 8 . O parsed_1nrb 1 50 1 1 . . . . . . . . . 11 . N parsed_1nrb 1 50 1 2 . . . . . . . . . 8 . O parsed_1nrb 1 51 1 1 . . . . . . . . . 8 . HN parsed_1nrb 1 51 1 2 . . . . . . . . . 12 . O parsed_1nrb 1 52 1 1 . . . . . . . . . 8 . N parsed_1nrb 1 52 1 2 . . . . . . . . . 12 . O parsed_1nrb 1 53 1 1 . . . . . . . . . 7 . HN parsed_1nrb 1 53 1 2 . . . . . . . . . 53 . O parsed_1nrb 1 54 1 1 . . . . . . . . . 7 . N parsed_1nrb 1 54 1 2 . . . . . . . . . 53 . O parsed_1nrb 1 55 1 1 . . . . . . . . . 14 . HN parsed_1nrb 1 55 1 2 . . . . . . . . . 6 . O parsed_1nrb 1 56 1 1 . . . . . . . . . 14 . N parsed_1nrb 1 56 1 2 . . . . . . . . . 6 . O parsed_1nrb 1 57 1 1 . . . . . . . . . 55 . HN parsed_1nrb 1 57 1 2 . . . . . . . . . 5 . O parsed_1nrb 1 58 1 1 . . . . . . . . . 55 . N parsed_1nrb 1 58 1 2 . . . . . . . . . 5 . O parsed_1nrb 1 59 1 1 . . . . . . . . . 43 . HN parsed_1nrb 1 59 1 2 . . . . . . . . . 14 . O parsed_1nrb 1 60 1 1 . . . . . . . . . 43 . N parsed_1nrb 1 60 1 2 . . . . . . . . . 14 . O parsed_1nrb 1 61 1 1 . . . . . . . . . 55 . HZ1 parsed_1nrb 1 61 1 2 . . . . . . . . . 11 . O parsed_1nrb 1 62 1 1 . . . . . . . . . 55 . NZ parsed_1nrb 1 62 1 2 . . . . . . . . . 11 . O parsed_1nrb 1 63 1 1 . . . . . . . . . 2 . HZ1 parsed_1nrb 1 63 1 2 . . . . . . . . . 49 . O parsed_1nrb 1 64 1 1 . . . . . . . . . 2 . NZ parsed_1nrb 1 64 1 2 . . . . . . . . . 49 . O parsed_1nrb 1 65 1 1 . . . . . . . . . 1 . HT1 parsed_1nrb 1 65 1 2 . . . . . . . . . 50 . O parsed_1nrb 1 66 1 1 . . . . . . . . . 1 . N parsed_1nrb 1 66 1 2 . . . . . . . . . 50 . O parsed_1nrb 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 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 2 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 3 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 4 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 5 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 6 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 7 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 8 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 9 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 10 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 11 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 12 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 13 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 14 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 15 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 16 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 17 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 18 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 19 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 20 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 21 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 22 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 23 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 24 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 25 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 26 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 27 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 28 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 29 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 30 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 31 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 32 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 33 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 34 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 35 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 36 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 37 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 38 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 39 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 40 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 41 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 42 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 43 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 44 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 45 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 46 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 47 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 48 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 49 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 50 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 51 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 52 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 53 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 54 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 55 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 56 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 57 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 58 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 59 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 60 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 61 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 62 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 63 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 64 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 1 65 1 . . . . . 2.1 1.5 2.3 parsed_1nrb 1 66 1 . . . . . 3.1 2.5 3.3 parsed_1nrb 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 ; ! H-bonds ! beta sheet ; 1 1 2 14 parsed_1nrb 1 2 "! alpha helix and Type I turn" 25 1 25 31 parsed_1nrb 1 3 "! this h-bond defines a turn." 44 1 44 31 parsed_1nrb 1 4 "! this h-bond defines the turn connecting the beta strands" 47 1 47 60 parsed_1nrb 1 5 ; ! add these to define the sheet/turn region ! major turn type I ; 50 1 51 21 parsed_1nrb 1 6 "!long-range H-bonds" 60 1 60 21 parsed_1nrb 1 stop_ save_
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