NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
34056 | 1jba | 4492 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 136 |
data_1jba_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1jba _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_1jba 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1jba _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 1jba "Master copy" parsed_1jba stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1jba _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 1jba.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jba 1 1 1jba.mr . . XPLOR/CNS 2 distance NOE simple 1598 parsed_1jba 1 1 1jba.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 136 parsed_1jba 1 1 1jba.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_1jba 1 1 1jba.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1jba 1 1 1jba.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jba 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jba _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_1jba 1 2 1 . . . parsed_1jba 1 3 1 . . . parsed_1jba 1 4 1 . . . parsed_1jba 1 5 1 . . . parsed_1jba 1 6 1 . . . parsed_1jba 1 7 1 . . . parsed_1jba 1 8 1 . . . parsed_1jba 1 9 1 . . . parsed_1jba 1 10 1 . . . parsed_1jba 1 11 1 . . . parsed_1jba 1 12 1 . . . parsed_1jba 1 13 1 . . . parsed_1jba 1 14 1 . . . parsed_1jba 1 15 1 . . . parsed_1jba 1 16 1 . . . parsed_1jba 1 17 1 . . . parsed_1jba 1 18 1 . . . parsed_1jba 1 19 1 . . . parsed_1jba 1 20 1 . . . parsed_1jba 1 21 1 . . . parsed_1jba 1 22 1 . . . parsed_1jba 1 23 1 . . . parsed_1jba 1 24 1 . . . parsed_1jba 1 25 1 . . . parsed_1jba 1 26 1 . . . parsed_1jba 1 27 1 . . . parsed_1jba 1 28 1 . . . parsed_1jba 1 29 1 . . . parsed_1jba 1 30 1 . . . parsed_1jba 1 31 1 . . . parsed_1jba 1 32 1 . . . parsed_1jba 1 33 1 . . . parsed_1jba 1 34 1 . . . parsed_1jba 1 35 1 . . . parsed_1jba 1 36 1 . . . parsed_1jba 1 37 1 . . . parsed_1jba 1 38 1 . . . parsed_1jba 1 39 1 . . . parsed_1jba 1 40 1 . . . parsed_1jba 1 41 1 . . . parsed_1jba 1 42 1 . . . parsed_1jba 1 43 1 . . . parsed_1jba 1 44 1 . . . parsed_1jba 1 45 1 . . . parsed_1jba 1 46 1 . . . parsed_1jba 1 47 1 . . . parsed_1jba 1 48 1 . . . parsed_1jba 1 49 1 . . . parsed_1jba 1 50 1 . . . parsed_1jba 1 51 1 . . . parsed_1jba 1 52 1 . . . parsed_1jba 1 53 1 . . . parsed_1jba 1 54 1 . . . parsed_1jba 1 55 1 . . . parsed_1jba 1 56 1 . . . parsed_1jba 1 57 1 . . . parsed_1jba 1 58 1 . . . parsed_1jba 1 59 1 . . . parsed_1jba 1 60 1 . . . parsed_1jba 1 61 1 . . . parsed_1jba 1 62 1 . . . parsed_1jba 1 63 1 . . . parsed_1jba 1 64 1 . . . parsed_1jba 1 65 1 . . . parsed_1jba 1 66 1 . . . parsed_1jba 1 67 1 . . . parsed_1jba 1 68 1 . . . parsed_1jba 1 69 1 . . . parsed_1jba 1 70 1 . . . parsed_1jba 1 71 1 . . . parsed_1jba 1 72 1 . . . parsed_1jba 1 73 1 . . . parsed_1jba 1 74 1 . . . parsed_1jba 1 75 1 . . . parsed_1jba 1 76 1 . . . parsed_1jba 1 77 1 . . . parsed_1jba 1 78 1 . . . parsed_1jba 1 79 1 . . . parsed_1jba 1 80 1 . . . parsed_1jba 1 81 1 . . . parsed_1jba 1 82 1 . . . parsed_1jba 1 83 1 . . . parsed_1jba 1 84 1 . . . parsed_1jba 1 85 1 . . . parsed_1jba 1 86 1 . . . parsed_1jba 1 87 1 . . . parsed_1jba 1 88 1 . . . parsed_1jba 1 89 1 . . . parsed_1jba 1 90 1 . . . parsed_1jba 1 91 1 . . . parsed_1jba 1 92 1 . . . parsed_1jba 1 93 1 . . . parsed_1jba 1 94 1 . . . parsed_1jba 1 95 1 . . . parsed_1jba 1 96 1 . . . parsed_1jba 1 97 1 . . . parsed_1jba 1 98 1 . . . parsed_1jba 1 99 1 . . . parsed_1jba 1 100 1 . . . parsed_1jba 1 101 1 . . . parsed_1jba 1 102 1 . . . parsed_1jba 1 103 1 . . . parsed_1jba 1 104 1 . . . parsed_1jba 1 105 1 . . . parsed_1jba 1 106 1 . . . parsed_1jba 1 107 1 . . . parsed_1jba 1 108 1 . . . parsed_1jba 1 109 1 . . . parsed_1jba 1 110 1 . . . parsed_1jba 1 111 1 . . . parsed_1jba 1 112 1 . . . parsed_1jba 1 113 1 . . . parsed_1jba 1 114 1 . . . parsed_1jba 1 115 1 . . . parsed_1jba 1 116 1 . . . parsed_1jba 1 117 1 . . . parsed_1jba 1 118 1 . . . parsed_1jba 1 119 1 . . . parsed_1jba 1 120 1 . . . parsed_1jba 1 121 1 . . . parsed_1jba 1 122 1 . . . parsed_1jba 1 123 1 . . . parsed_1jba 1 124 1 . . . parsed_1jba 1 125 1 . . . parsed_1jba 1 126 1 . . . parsed_1jba 1 127 1 . . . parsed_1jba 1 128 1 . . . parsed_1jba 1 129 1 . . . parsed_1jba 1 130 1 . . . parsed_1jba 1 131 1 . . . parsed_1jba 1 132 1 . . . parsed_1jba 1 133 1 . . . parsed_1jba 1 134 1 . . . parsed_1jba 1 135 1 . . . parsed_1jba 1 136 1 . . . parsed_1jba 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 . . . . . . . . . 7 . O parsed_1jba 1 1 1 2 . . . . . . . . . 11 . N parsed_1jba 1 2 1 1 . . . . . . . . . 7 . O parsed_1jba 1 2 1 2 . . . . . . . . . 11 . HN parsed_1jba 1 3 1 1 . . . . . . . . . 8 . O parsed_1jba 1 3 1 2 . . . . . . . . . 12 . N parsed_1jba 1 4 1 1 . . . . . . . . . 8 . O parsed_1jba 1 4 1 2 . . . . . . . . . 12 . HN parsed_1jba 1 5 1 1 . . . . . . . . . 9 . O parsed_1jba 1 5 1 2 . . . . . . . . . 13 . N parsed_1jba 1 6 1 1 . . . . . . . . . 9 . O parsed_1jba 1 6 1 2 . . . . . . . . . 13 . HN parsed_1jba 1 7 1 1 . . . . . . . . . 19 . O parsed_1jba 1 7 1 2 . . . . . . . . . 23 . N parsed_1jba 1 8 1 1 . . . . . . . . . 19 . O parsed_1jba 1 8 1 2 . . . . . . . . . 23 . HN parsed_1jba 1 9 1 1 . . . . . . . . . 20 . O parsed_1jba 1 9 1 2 . . . . . . . . . 24 . N parsed_1jba 1 10 1 1 . . . . . . . . . 20 . O parsed_1jba 1 10 1 2 . . . . . . . . . 24 . HN parsed_1jba 1 11 1 1 . . . . . . . . . 21 . O parsed_1jba 1 11 1 2 . . . . . . . . . 25 . N parsed_1jba 1 12 1 1 . . . . . . . . . 21 . O parsed_1jba 1 12 1 2 . . . . . . . . . 25 . HN parsed_1jba 1 13 1 1 . . . . . . . . . 22 . O parsed_1jba 1 13 1 2 . . . . . . . . . 26 . N parsed_1jba 1 14 1 1 . . . . . . . . . 22 . O parsed_1jba 1 14 1 2 . . . . . . . . . 26 . HN parsed_1jba 1 15 1 1 . . . . . . . . . 23 . O parsed_1jba 1 15 1 2 . . . . . . . . . 27 . N parsed_1jba 1 16 1 1 . . . . . . . . . 23 . O parsed_1jba 1 16 1 2 . . . . . . . . . 27 . HN parsed_1jba 1 17 1 1 . . . . . . . . . 24 . O parsed_1jba 1 17 1 2 . . . . . . . . . 28 . N parsed_1jba 1 18 1 1 . . . . . . . . . 24 . O parsed_1jba 1 18 1 2 . . . . . . . . . 28 . HN parsed_1jba 1 19 1 1 . . . . . . . . . 25 . O parsed_1jba 1 19 1 2 . . . . . . . . . 29 . N parsed_1jba 1 20 1 1 . . . . . . . . . 25 . O parsed_1jba 1 20 1 2 . . . . . . . . . 29 . HN parsed_1jba 1 21 1 1 . . . . . . . . . 26 . O parsed_1jba 1 21 1 2 . . . . . . . . . 30 . N parsed_1jba 1 22 1 1 . . . . . . . . . 26 . O parsed_1jba 1 22 1 2 . . . . . . . . . 30 . HN parsed_1jba 1 23 1 1 . . . . . . . . . 27 . O parsed_1jba 1 23 1 2 . . . . . . . . . 31 . N parsed_1jba 1 24 1 1 . . . . . . . . . 27 . O parsed_1jba 1 24 1 2 . . . . . . . . . 31 . HN parsed_1jba 1 25 1 1 . . . . . . . . . 28 . O parsed_1jba 1 25 1 2 . . . . . . . . . 32 . N parsed_1jba 1 26 1 1 . . . . . . . . . 28 . O parsed_1jba 1 26 1 2 . . . . . . . . . 32 . HN parsed_1jba 1 27 1 1 . . . . . . . . . 40 . O parsed_1jba 1 27 1 2 . . . . . . . . . 76 . N parsed_1jba 1 28 1 1 . . . . . . . . . 40 . O parsed_1jba 1 28 1 2 . . . . . . . . . 76 . HN parsed_1jba 1 29 1 1 . . . . . . . . . 42 . O parsed_1jba 1 29 1 2 . . . . . . . . . 46 . N parsed_1jba 1 30 1 1 . . . . . . . . . 42 . O parsed_1jba 1 30 1 2 . . . . . . . . . 46 . HN parsed_1jba 1 31 1 1 . . . . . . . . . 43 . O parsed_1jba 1 31 1 2 . . . . . . . . . 47 . N parsed_1jba 1 32 1 1 . . . . . . . . . 43 . O parsed_1jba 1 32 1 2 . . . . . . . . . 47 . HN parsed_1jba 1 33 1 1 . . . . . . . . . 44 . O parsed_1jba 1 33 1 2 . . . . . . . . . 48 . N parsed_1jba 1 34 1 1 . . . . . . . . . 44 . O parsed_1jba 1 34 1 2 . . . . . . . . . 48 . HN parsed_1jba 1 35 1 1 . . . . . . . . . 45 . O parsed_1jba 1 35 1 2 . . . . . . . . . 49 . N parsed_1jba 1 36 1 1 . . . . . . . . . 45 . O parsed_1jba 1 36 1 2 . . . . . . . . . 49 . HN parsed_1jba 1 37 1 1 . . . . . . . . . 46 . O parsed_1jba 1 37 1 2 . . . . . . . . . 50 . N parsed_1jba 1 38 1 1 . . . . . . . . . 46 . O parsed_1jba 1 38 1 2 . . . . . . . . . 50 . HN parsed_1jba 1 39 1 1 . . . . . . . . . 47 . O parsed_1jba 1 39 1 2 . . . . . . . . . 51 . N parsed_1jba 1 40 1 1 . . . . . . . . . 47 . O parsed_1jba 1 40 1 2 . . . . . . . . . 51 . HN parsed_1jba 1 41 1 1 . . . . . . . . . 58 . O parsed_1jba 1 41 1 2 . . . . . . . . . 62 . N parsed_1jba 1 42 1 1 . . . . . . . . . 58 . O parsed_1jba 1 42 1 2 . . . . . . . . . 62 . HN parsed_1jba 1 43 1 1 . . . . . . . . . 59 . O parsed_1jba 1 43 1 2 . . . . . . . . . 63 . N parsed_1jba 1 44 1 1 . . . . . . . . . 59 . O parsed_1jba 1 44 1 2 . . . . . . . . . 63 . HN parsed_1jba 1 45 1 1 . . . . . . . . . 60 . O parsed_1jba 1 45 1 2 . . . . . . . . . 64 . N parsed_1jba 1 46 1 1 . . . . . . . . . 60 . O parsed_1jba 1 46 1 2 . . . . . . . . . 64 . HN parsed_1jba 1 47 1 1 . . . . . . . . . 61 . O parsed_1jba 1 47 1 2 . . . . . . . . . 65 . N parsed_1jba 1 48 1 1 . . . . . . . . . 61 . O parsed_1jba 1 48 1 2 . . . . . . . . . 65 . HN parsed_1jba 1 49 1 1 . . . . . . . . . 62 . O parsed_1jba 1 49 1 2 . . . . . . . . . 66 . N parsed_1jba 1 50 1 1 . . . . . . . . . 62 . O parsed_1jba 1 50 1 2 . . . . . . . . . 66 . HN parsed_1jba 1 51 1 1 . . . . . . . . . 63 . O parsed_1jba 1 51 1 2 . . . . . . . . . 67 . N parsed_1jba 1 52 1 1 . . . . . . . . . 63 . O parsed_1jba 1 52 1 2 . . . . . . . . . 67 . HN parsed_1jba 1 53 1 1 . . . . . . . . . 76 . O parsed_1jba 1 53 1 2 . . . . . . . . . 40 . N parsed_1jba 1 54 1 1 . . . . . . . . . 76 . O parsed_1jba 1 54 1 2 . . . . . . . . . 40 . HN parsed_1jba 1 55 1 1 . . . . . . . . . 78 . O parsed_1jba 1 55 1 2 . . . . . . . . . 82 . N parsed_1jba 1 56 1 1 . . . . . . . . . 78 . O parsed_1jba 1 56 1 2 . . . . . . . . . 82 . HN parsed_1jba 1 57 1 1 . . . . . . . . . 79 . O parsed_1jba 1 57 1 2 . . . . . . . . . 83 . N parsed_1jba 1 58 1 1 . . . . . . . . . 79 . O parsed_1jba 1 58 1 2 . . . . . . . . . 83 . HN parsed_1jba 1 59 1 1 . . . . . . . . . 80 . O parsed_1jba 1 59 1 2 . . . . . . . . . 84 . N parsed_1jba 1 60 1 1 . . . . . . . . . 80 . O parsed_1jba 1 60 1 2 . . . . . . . . . 84 . HN parsed_1jba 1 61 1 1 . . . . . . . . . 81 . O parsed_1jba 1 61 1 2 . . . . . . . . . 85 . N parsed_1jba 1 62 1 1 . . . . . . . . . 81 . O parsed_1jba 1 62 1 2 . . . . . . . . . 85 . HN parsed_1jba 1 63 1 1 . . . . . . . . . 82 . O parsed_1jba 1 63 1 2 . . . . . . . . . 86 . N parsed_1jba 1 64 1 1 . . . . . . . . . 82 . O parsed_1jba 1 64 1 2 . . . . . . . . . 86 . HN parsed_1jba 1 65 1 1 . . . . . . . . . 83 . O parsed_1jba 1 65 1 2 . . . . . . . . . 87 . N parsed_1jba 1 66 1 1 . . . . . . . . . 83 . O parsed_1jba 1 66 1 2 . . . . . . . . . 87 . HN parsed_1jba 1 67 1 1 . . . . . . . . . 85 . O parsed_1jba 1 67 1 2 . . . . . . . . . 89 . N parsed_1jba 1 68 1 1 . . . . . . . . . 85 . O parsed_1jba 1 68 1 2 . . . . . . . . . 89 . HN parsed_1jba 1 69 1 1 . . . . . . . . . 95 . O parsed_1jba 1 69 1 2 . . . . . . . . . 99 . N parsed_1jba 1 70 1 1 . . . . . . . . . 95 . O parsed_1jba 1 70 1 2 . . . . . . . . . 99 . HN parsed_1jba 1 71 1 1 . . . . . . . . . 96 . O parsed_1jba 1 71 1 2 . . . . . . . . . 100 . N parsed_1jba 1 72 1 1 . . . . . . . . . 96 . O parsed_1jba 1 72 1 2 . . . . . . . . . 100 . HN parsed_1jba 1 73 1 1 . . . . . . . . . 97 . O parsed_1jba 1 73 1 2 . . . . . . . . . 101 . N parsed_1jba 1 74 1 1 . . . . . . . . . 97 . O parsed_1jba 1 74 1 2 . . . . . . . . . 101 . HN parsed_1jba 1 75 1 1 . . . . . . . . . 98 . O parsed_1jba 1 75 1 2 . . . . . . . . . 102 . N parsed_1jba 1 76 1 1 . . . . . . . . . 98 . O parsed_1jba 1 76 1 2 . . . . . . . . . 102 . HN parsed_1jba 1 77 1 1 . . . . . . . . . 99 . O parsed_1jba 1 77 1 2 . . . . . . . . . 103 . N parsed_1jba 1 78 1 1 . . . . . . . . . 99 . O parsed_1jba 1 78 1 2 . . . . . . . . . 103 . HN parsed_1jba 1 79 1 1 . . . . . . . . . 100 . O parsed_1jba 1 79 1 2 . . . . . . . . . 104 . N parsed_1jba 1 80 1 1 . . . . . . . . . 100 . O parsed_1jba 1 80 1 2 . . . . . . . . . 104 . HN parsed_1jba 1 81 1 1 . . . . . . . . . 112 . O parsed_1jba 1 81 1 2 . . . . . . . . . 165 . N parsed_1jba 1 82 1 1 . . . . . . . . . 112 . O parsed_1jba 1 82 1 2 . . . . . . . . . 165 . HN parsed_1jba 1 83 1 1 . . . . . . . . . 114 . O parsed_1jba 1 83 1 2 . . . . . . . . . 118 . N parsed_1jba 1 84 1 1 . . . . . . . . . 114 . O parsed_1jba 1 84 1 2 . . . . . . . . . 118 . HN parsed_1jba 1 85 1 1 . . . . . . . . . 115 . O parsed_1jba 1 85 1 2 . . . . . . . . . 119 . N parsed_1jba 1 86 1 1 . . . . . . . . . 115 . O parsed_1jba 1 86 1 2 . . . . . . . . . 119 . HN parsed_1jba 1 87 1 1 . . . . . . . . . 116 . O parsed_1jba 1 87 1 2 . . . . . . . . . 120 . N parsed_1jba 1 88 1 1 . . . . . . . . . 116 . O parsed_1jba 1 88 1 2 . . . . . . . . . 120 . HN parsed_1jba 1 89 1 1 . . . . . . . . . 117 . O parsed_1jba 1 89 1 2 . . . . . . . . . 121 . N parsed_1jba 1 90 1 1 . . . . . . . . . 117 . O parsed_1jba 1 90 1 2 . . . . . . . . . 121 . HN parsed_1jba 1 91 1 1 . . . . . . . . . 118 . O parsed_1jba 1 91 1 2 . . . . . . . . . 122 . N parsed_1jba 1 92 1 1 . . . . . . . . . 118 . O parsed_1jba 1 92 1 2 . . . . . . . . . 122 . HN parsed_1jba 1 93 1 1 . . . . . . . . . 119 . O parsed_1jba 1 93 1 2 . . . . . . . . . 123 . N parsed_1jba 1 94 1 1 . . . . . . . . . 119 . O parsed_1jba 1 94 1 2 . . . . . . . . . 123 . HN parsed_1jba 1 95 1 1 . . . . . . . . . 120 . O parsed_1jba 1 95 1 2 . . . . . . . . . 124 . N parsed_1jba 1 96 1 1 . . . . . . . . . 120 . O parsed_1jba 1 96 1 2 . . . . . . . . . 124 . HN parsed_1jba 1 97 1 1 . . . . . . . . . 121 . O parsed_1jba 1 97 1 2 . . . . . . . . . 125 . N parsed_1jba 1 98 1 1 . . . . . . . . . 121 . O parsed_1jba 1 98 1 2 . . . . . . . . . 125 . HN parsed_1jba 1 99 1 1 . . . . . . . . . 122 . O parsed_1jba 1 99 1 2 . . . . . . . . . 126 . N parsed_1jba 1 100 1 1 . . . . . . . . . 122 . O parsed_1jba 1 100 1 2 . . . . . . . . . 126 . HN parsed_1jba 1 101 1 1 . . . . . . . . . 123 . O parsed_1jba 1 101 1 2 . . . . . . . . . 127 . N parsed_1jba 1 102 1 1 . . . . . . . . . 123 . O parsed_1jba 1 102 1 2 . . . . . . . . . 127 . HN parsed_1jba 1 103 1 1 . . . . . . . . . 124 . O parsed_1jba 1 103 1 2 . . . . . . . . . 128 . N parsed_1jba 1 104 1 1 . . . . . . . . . 124 . O parsed_1jba 1 104 1 2 . . . . . . . . . 128 . HN parsed_1jba 1 105 1 1 . . . . . . . . . 125 . O parsed_1jba 1 105 1 2 . . . . . . . . . 129 . N parsed_1jba 1 106 1 1 . . . . . . . . . 125 . O parsed_1jba 1 106 1 2 . . . . . . . . . 129 . HN parsed_1jba 1 107 1 1 . . . . . . . . . 147 . O parsed_1jba 1 107 1 2 . . . . . . . . . 151 . N parsed_1jba 1 108 1 1 . . . . . . . . . 147 . O parsed_1jba 1 108 1 2 . . . . . . . . . 151 . HN parsed_1jba 1 109 1 1 . . . . . . . . . 148 . O parsed_1jba 1 109 1 2 . . . . . . . . . 152 . N parsed_1jba 1 110 1 1 . . . . . . . . . 148 . O parsed_1jba 1 110 1 2 . . . . . . . . . 152 . HN parsed_1jba 1 111 1 1 . . . . . . . . . 151 . O parsed_1jba 1 111 1 2 . . . . . . . . . 155 . N parsed_1jba 1 112 1 1 . . . . . . . . . 151 . O parsed_1jba 1 112 1 2 . . . . . . . . . 155 . HN parsed_1jba 1 113 1 1 . . . . . . . . . 152 . O parsed_1jba 1 113 1 2 . . . . . . . . . 156 . N parsed_1jba 1 114 1 1 . . . . . . . . . 152 . O parsed_1jba 1 114 1 2 . . . . . . . . . 156 . HN parsed_1jba 1 115 1 1 . . . . . . . . . 153 . O parsed_1jba 1 115 1 2 . . . . . . . . . 157 . N parsed_1jba 1 116 1 1 . . . . . . . . . 153 . O parsed_1jba 1 116 1 2 . . . . . . . . . 157 . HN parsed_1jba 1 117 1 1 . . . . . . . . . 165 . O parsed_1jba 1 117 1 2 . . . . . . . . . 112 . N parsed_1jba 1 118 1 1 . . . . . . . . . 165 . O parsed_1jba 1 118 1 2 . . . . . . . . . 112 . HN parsed_1jba 1 119 1 1 . . . . . . . . . 167 . O parsed_1jba 1 119 1 2 . . . . . . . . . 171 . N parsed_1jba 1 120 1 1 . . . . . . . . . 167 . O parsed_1jba 1 120 1 2 . . . . . . . . . 171 . HN parsed_1jba 1 121 1 1 . . . . . . . . . 168 . O parsed_1jba 1 121 1 2 . . . . . . . . . 172 . N parsed_1jba 1 122 1 1 . . . . . . . . . 168 . O parsed_1jba 1 122 1 2 . . . . . . . . . 172 . HN parsed_1jba 1 123 1 1 . . . . . . . . . 169 . O parsed_1jba 1 123 1 2 . . . . . . . . . 173 . N parsed_1jba 1 124 1 1 . . . . . . . . . 169 . O parsed_1jba 1 124 1 2 . . . . . . . . . 173 . HN parsed_1jba 1 125 1 1 . . . . . . . . . 170 . O parsed_1jba 1 125 1 2 . . . . . . . . . 174 . N parsed_1jba 1 126 1 1 . . . . . . . . . 170 . O parsed_1jba 1 126 1 2 . . . . . . . . . 174 . HN parsed_1jba 1 127 1 1 . . . . . . . . . 171 . O parsed_1jba 1 127 1 2 . . . . . . . . . 175 . N parsed_1jba 1 128 1 1 . . . . . . . . . 171 . O parsed_1jba 1 128 1 2 . . . . . . . . . 175 . HN parsed_1jba 1 129 1 1 . . . . . . . . . 179 . O parsed_1jba 1 129 1 2 . . . . . . . . . 183 . N parsed_1jba 1 130 1 1 . . . . . . . . . 179 . O parsed_1jba 1 130 1 2 . . . . . . . . . 183 . HN parsed_1jba 1 131 1 1 . . . . . . . . . 180 . O parsed_1jba 1 131 1 2 . . . . . . . . . 184 . N parsed_1jba 1 132 1 1 . . . . . . . . . 180 . O parsed_1jba 1 132 1 2 . . . . . . . . . 184 . HN parsed_1jba 1 133 1 1 . . . . . . . . . 181 . O parsed_1jba 1 133 1 2 . . . . . . . . . 185 . N parsed_1jba 1 134 1 1 . . . . . . . . . 181 . O parsed_1jba 1 134 1 2 . . . . . . . . . 185 . HN parsed_1jba 1 135 1 1 . . . . . . . . . 182 . O parsed_1jba 1 135 1 2 . . . . . . . . . 186 . N parsed_1jba 1 136 1 1 . . . . . . . . . 182 . O parsed_1jba 1 136 1 2 . . . . . . . . . 186 . HN parsed_1jba 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 . . . . . 0.0 0.0 3.3 parsed_1jba 1 2 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 3 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 4 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 5 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 6 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 7 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 8 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 9 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 10 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 11 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 12 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 13 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 14 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 15 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 16 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 17 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 18 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 19 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 20 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 21 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 22 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 23 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 24 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 25 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 26 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 27 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 28 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 29 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 30 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 31 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 32 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 33 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 34 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 35 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 36 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 37 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 38 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 39 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 40 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 41 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 42 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 43 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 44 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 45 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 46 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 47 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 48 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 49 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 50 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 51 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 52 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 53 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 54 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 55 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 56 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 57 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 58 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 59 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 60 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 61 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 62 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 63 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 64 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 65 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 66 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 67 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 68 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 69 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 70 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 71 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 72 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 73 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 74 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 75 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 76 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 77 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 78 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 79 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 80 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 81 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 82 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 83 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 84 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 85 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 86 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 87 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 88 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 89 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 90 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 91 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 92 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 93 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 94 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 95 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 96 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 97 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 98 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 99 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 100 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 101 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 102 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 103 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 104 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 105 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 106 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 107 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 108 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 109 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 110 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 111 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 112 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 113 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 114 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 115 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 116 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 117 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 118 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 119 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 120 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 121 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 122 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 123 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 124 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 125 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 126 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 127 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 128 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 129 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 130 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 131 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 132 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 133 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 134 1 . . . . . 0.0 0.0 2.3 parsed_1jba 1 135 1 . . . . . 0.0 0.0 3.3 parsed_1jba 1 136 1 . . . . . 0.0 0.0 2.3 parsed_1jba 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 "Hydrogen bonds" 1 1 1 16 parsed_1jba 1 stop_ save_
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