NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
35288 | 1laq | cing | 2-parsed | STAR | distance | NOE | ambi | 140 |
data_1laq_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1laq _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_1laq 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1laq _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 1laq "Master copy" parsed_1laq stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1laq _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 1laq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 3 distance NOE ambi 182 parsed_1laq 1 1 1laq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 5 distance NOE ambi 140 parsed_1laq 1 1 1laq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_1laq 1 1 1laq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_1laq 1 1 1laq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1laq 1 1 1laq.mr . . "MR format" 17 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1laq 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1laq _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_1laq 1 2 1 . . . parsed_1laq 1 3 1 . . . parsed_1laq 1 4 1 . . . parsed_1laq 1 5 1 . . . parsed_1laq 1 6 1 . . . parsed_1laq 1 7 1 . . . parsed_1laq 1 8 1 . . . parsed_1laq 1 9 1 . . . parsed_1laq 1 10 1 . . . parsed_1laq 1 11 1 . . . parsed_1laq 1 12 1 . . . parsed_1laq 1 13 1 . . . parsed_1laq 1 14 1 . . . parsed_1laq 1 15 1 . . . parsed_1laq 1 16 1 . . . parsed_1laq 1 17 1 . . . parsed_1laq 1 18 1 . . . parsed_1laq 1 19 1 . . . parsed_1laq 1 20 1 . . . parsed_1laq 1 21 1 . . . parsed_1laq 1 22 1 . . . parsed_1laq 1 23 1 . . . parsed_1laq 1 24 1 . . . parsed_1laq 1 25 1 . . . parsed_1laq 1 26 1 . . . parsed_1laq 1 27 1 . . . parsed_1laq 1 28 1 . . . parsed_1laq 1 29 1 . . . parsed_1laq 1 30 1 . . . parsed_1laq 1 31 1 . . . parsed_1laq 1 32 1 . . . parsed_1laq 1 33 1 . . . parsed_1laq 1 34 1 . . . parsed_1laq 1 35 1 . . . parsed_1laq 1 36 1 . . . parsed_1laq 1 37 1 . . . parsed_1laq 1 38 1 . . . parsed_1laq 1 39 1 . . . parsed_1laq 1 40 1 . . . parsed_1laq 1 41 1 . . . parsed_1laq 1 42 1 . . . parsed_1laq 1 43 1 . . . parsed_1laq 1 44 1 . . . parsed_1laq 1 45 1 . . . parsed_1laq 1 46 1 . . . parsed_1laq 1 47 1 . . . parsed_1laq 1 48 1 . . . parsed_1laq 1 49 1 . . . parsed_1laq 1 50 1 . . . parsed_1laq 1 51 1 . . . parsed_1laq 1 52 1 . . . parsed_1laq 1 53 1 . . . parsed_1laq 1 54 1 . . . parsed_1laq 1 55 1 . . . parsed_1laq 1 56 1 . . . parsed_1laq 1 57 1 . . . parsed_1laq 1 58 1 . . . parsed_1laq 1 59 1 . . . parsed_1laq 1 60 1 . . . parsed_1laq 1 61 1 . . . parsed_1laq 1 62 1 . . . parsed_1laq 1 63 1 . . . parsed_1laq 1 64 1 . . . parsed_1laq 1 65 1 . . . parsed_1laq 1 66 1 . . . parsed_1laq 1 67 1 . . . parsed_1laq 1 68 1 . . . parsed_1laq 1 69 1 . . . parsed_1laq 1 70 1 . . . parsed_1laq 1 71 1 . . . parsed_1laq 1 72 1 . . . parsed_1laq 1 73 1 . . . parsed_1laq 1 74 1 . . . parsed_1laq 1 75 1 . . . parsed_1laq 1 76 1 . . . parsed_1laq 1 77 1 . . . parsed_1laq 1 78 1 . . . parsed_1laq 1 79 1 . . . parsed_1laq 1 80 1 . . . parsed_1laq 1 81 1 . . . parsed_1laq 1 82 1 . . . parsed_1laq 1 83 1 . . . parsed_1laq 1 84 1 . . . parsed_1laq 1 85 1 . . . parsed_1laq 1 86 1 . . . parsed_1laq 1 87 1 . . . parsed_1laq 1 88 1 . . . parsed_1laq 1 89 1 . . . parsed_1laq 1 90 1 . . . parsed_1laq 1 91 1 . . . parsed_1laq 1 92 1 . . . parsed_1laq 1 93 1 . . . parsed_1laq 1 94 1 . . . parsed_1laq 1 95 1 . . . parsed_1laq 1 96 1 . . . parsed_1laq 1 97 1 . . . parsed_1laq 1 98 1 . . . parsed_1laq 1 99 1 . . . parsed_1laq 1 100 1 . . . parsed_1laq 1 101 1 . . . parsed_1laq 1 102 1 . . . parsed_1laq 1 103 1 . . . parsed_1laq 1 104 1 . . . parsed_1laq 1 105 1 . . . parsed_1laq 1 106 1 . . . parsed_1laq 1 107 1 . . . parsed_1laq 1 108 1 . . . parsed_1laq 1 109 1 . . . parsed_1laq 1 110 1 . . . parsed_1laq 1 111 1 . . . parsed_1laq 1 112 1 . . . parsed_1laq 1 113 1 . . . parsed_1laq 1 114 1 . . . parsed_1laq 1 115 1 . . . parsed_1laq 1 116 1 . . . parsed_1laq 1 117 1 . . . parsed_1laq 1 118 1 . . . parsed_1laq 1 119 1 . . . parsed_1laq 1 120 1 . . . parsed_1laq 1 121 1 . . . parsed_1laq 1 122 1 . . . parsed_1laq 1 123 1 . . . parsed_1laq 1 124 1 . . . parsed_1laq 1 125 1 . . . parsed_1laq 1 126 1 . . . parsed_1laq 1 127 1 . . . parsed_1laq 1 128 1 . . . parsed_1laq 1 129 1 . . . parsed_1laq 1 130 1 . . . parsed_1laq 1 131 1 . . . parsed_1laq 1 132 1 . . . parsed_1laq 1 133 1 . . . parsed_1laq 1 134 1 . . . parsed_1laq 1 135 1 . . . parsed_1laq 1 136 1 . . . parsed_1laq 1 137 1 . . . parsed_1laq 1 138 1 . . . parsed_1laq 1 139 1 . . . parsed_1laq 1 140 1 . . . parsed_1laq 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 . . . . . . . . . 1 . H6 parsed_1laq 1 1 1 2 . . . . . . . . . 1 . H2'' parsed_1laq 1 2 1 1 . . . . . . . . . 1 . H5 parsed_1laq 1 2 1 2 . . . . . . . . . 1 . H2' parsed_1laq 1 3 1 1 . . . . . . . . . 1 . H1' parsed_1laq 1 3 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1 4 1 1 . . . . . . . . . 1 . H2'' parsed_1laq 1 4 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1 5 1 1 . . . . . . . . . 1 . H1' parsed_1laq 1 5 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1 6 1 1 . . . . . . . . . 2 . H1' parsed_1laq 1 6 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1 7 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1 7 1 2 . . . . . . . . . 2 . H1' parsed_1laq 1 8 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1 8 1 2 . . . . . . . . . 2 . H3' parsed_1laq 1 9 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1 9 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1 10 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1 10 1 2 . . . . . . . . . 2 . H1' parsed_1laq 1 11 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1 11 1 2 . . . . . . . . . 2 . H2'' parsed_1laq 1 12 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1 12 1 2 . . . . . . . . . 3 . H2' parsed_1laq 1 13 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 13 1 2 . . . . . . . . . 3 . H1' parsed_1laq 1 14 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 14 1 2 . . . . . . . . . 3 . H3' parsed_1laq 1 15 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 15 1 2 . . . . . . . . . 4 . H1' parsed_1laq 1 16 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 16 1 2 . . . . . . . . . 4 . H2' parsed_1laq 1 17 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 17 1 2 . . . . . . . . . 4 . H5' parsed_1laq 1 18 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1 18 1 2 . . . . . . . . . 4 . H5'' parsed_1laq 1 19 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1 19 1 2 . . . . . . . . . 4 . H2' parsed_1laq 1 20 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1 20 1 2 . . . . . . . . . 5 . H1' parsed_1laq 1 21 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1 21 1 2 . . . . . . . . . 5 . H2' parsed_1laq 1 22 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1 22 1 2 . . . . . . . . . 5 . H2'' parsed_1laq 1 23 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1 23 1 2 . . . . . . . . . 5 . H1' parsed_1laq 1 24 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1 24 1 2 . . . . . . . . . 5 . H2'' parsed_1laq 1 25 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1 25 1 2 . . . . . . . . . 6 . H1' parsed_1laq 1 26 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1 26 1 2 . . . . . . . . . 6 . H1' parsed_1laq 1 27 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1 27 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1 28 1 1 . . . . . . . . . 7 . H7A1 parsed_1laq 1 28 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1 29 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1 29 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1 29 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1 30 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1 30 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1 31 1 1 . . . . . . . . . 7 . H7A2 parsed_1laq 1 31 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1 32 1 1 . . . . . . . . . 7 . H7A1 parsed_1laq 1 32 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1 33 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1 33 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1 34 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1 34 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1 35 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1 35 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1 36 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1 36 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1 37 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1 37 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1 37 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1 38 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1 38 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1 38 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1 39 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1 39 1 2 . . . . . . . . . 7 . H1' parsed_1laq 1 40 1 1 . . . . . . . . . 7 . H2' parsed_1laq 1 40 1 1 . . . . . . . . . 7 . H2'' parsed_1laq 1 40 1 2 . . . . . . . . . 8 . H6 parsed_1laq 1 41 1 1 . . . . . . . . . 7 . H2' parsed_1laq 1 41 1 1 . . . . . . . . . 7 . H2'' parsed_1laq 1 41 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1 42 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1 42 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1 43 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1 43 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1 44 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1 44 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1 45 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1 45 1 2 . . . . . . . . . 8 . H3' parsed_1laq 1 46 1 1 . . . . . . . . . 8 . H1' parsed_1laq 1 46 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1 47 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1 47 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1 48 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1 48 1 2 . . . . . . . . . 9 . H1' parsed_1laq 1 49 1 1 . . . . . . . . . 9 . H5 parsed_1laq 1 49 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1 50 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1 50 1 2 . . . . . . . . . 9 . H1' parsed_1laq 1 51 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1 51 1 2 . . . . . . . . . 9 . H3' parsed_1laq 1 52 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1 52 1 2 . . . . . . . . . 10 . H2' parsed_1laq 1 53 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1 53 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1 54 1 1 . . . . . . . . . 10 . H1' parsed_1laq 1 54 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1 55 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 55 1 2 . . . . . . . . . 10 . H2'' parsed_1laq 1 56 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 56 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1 57 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 57 1 2 . . . . . . . . . 10 . H6 parsed_1laq 1 58 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 58 1 2 . . . . . . . . . 11 . H2' parsed_1laq 1 59 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 59 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1 60 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 60 1 2 . . . . . . . . . 11 . H5' parsed_1laq 1 61 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1 61 1 2 . . . . . . . . . 11 . H5'' parsed_1laq 1 62 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1 62 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1 63 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1 63 1 2 . . . . . . . . . 11 . H4' parsed_1laq 1 64 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1 64 1 2 . . . . . . . . . 11 . H8 parsed_1laq 1 65 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1 65 1 2 . . . . . . . . . 11 . H1' parsed_1laq 1 66 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1 66 1 2 . . . . . . . . . 11 . H2' parsed_1laq 1 67 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1 67 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1 68 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1 68 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1 69 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1 69 1 2 . . . . . . . . . 12 . H3' parsed_1laq 1 70 1 1 . . . . . . . . . 12 . H1' parsed_1laq 1 70 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1 71 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1 71 1 2 . . . . . . . . . 12 . H3' parsed_1laq 1 72 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1 72 1 2 . . . . . . . . . 12 . H6 parsed_1laq 1 73 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1 73 1 2 . . . . . . . . . 13 . H2' parsed_1laq 1 74 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1 74 1 2 . . . . . . . . . 13 . H4' parsed_1laq 1 75 1 1 . . . . . . . . . 13 . H5' parsed_1laq 1 75 1 1 . . . . . . . . . 13 . H5'' parsed_1laq 1 75 1 2 . . . . . . . . . 13 . H8 parsed_1laq 1 76 1 1 . . . . . . . . . 13 . H2'' parsed_1laq 1 76 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1 77 1 1 . . . . . . . . . 13 . H5' parsed_1laq 1 77 1 1 . . . . . . . . . 13 . H5'' parsed_1laq 1 77 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1 78 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1 78 1 2 . . . . . . . . . 14 . H2'' parsed_1laq 1 79 1 1 . . . . . . . . . 14 . H5 parsed_1laq 1 79 1 2 . . . . . . . . . 14 . H2' parsed_1laq 1 80 1 1 . . . . . . . . . 14 . H1' parsed_1laq 1 80 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1 81 1 1 . . . . . . . . . 14 . H2'' parsed_1laq 1 81 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1 82 1 1 . . . . . . . . . 15 . H1' parsed_1laq 1 82 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1 83 1 1 . . . . . . . . . 15 . H1' parsed_1laq 1 83 1 2 . . . . . . . . . 16 . H4' parsed_1laq 1 84 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1 84 1 2 . . . . . . . . . 15 . H1' parsed_1laq 1 85 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1 85 1 2 . . . . . . . . . 15 . H3' parsed_1laq 1 86 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1 86 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1 87 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1 87 1 2 . . . . . . . . . 15 . H1' parsed_1laq 1 88 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1 88 1 2 . . . . . . . . . 15 . H2'' parsed_1laq 1 89 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1 89 1 2 . . . . . . . . . 16 . H2' parsed_1laq 1 90 1 1 . . . . . . . . . 16 . H1' parsed_1laq 1 90 1 2 . . . . . . . . . 16 . H2' parsed_1laq 1 91 1 1 . . . . . . . . . 16 . H1' parsed_1laq 1 91 1 2 . . . . . . . . . 16 . H2'' parsed_1laq 1 92 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1 92 1 2 . . . . . . . . . 17 . H2' parsed_1laq 1 93 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1 93 1 2 . . . . . . . . . 17 . H1' parsed_1laq 1 94 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1 94 1 2 . . . . . . . . . 18 . H1' parsed_1laq 1 95 1 1 . . . . . . . . . 18 . H5' parsed_1laq 1 95 1 1 . . . . . . . . . 18 . H5'' parsed_1laq 1 95 1 2 . . . . . . . . . 18 . H8 parsed_1laq 1 96 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1 96 1 2 . . . . . . . . . 18 . H2' parsed_1laq 1 97 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1 97 1 2 . . . . . . . . . 18 . H2'' parsed_1laq 1 98 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1 98 1 2 . . . . . . . . . 18 . H3' parsed_1laq 1 99 1 1 . . . . . . . . . 19 . H8 parsed_1laq 1 99 1 2 . . . . . . . . . 19 . H3' parsed_1laq 1 100 1 1 . . . . . . . . . 19 . H2'' parsed_1laq 1 100 1 2 . . . . . . . . . 19 . H4' parsed_1laq 1 101 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 101 1 2 . . . . . . . . . 19 . H1' parsed_1laq 1 102 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 102 1 2 . . . . . . . . . 19 . H2' parsed_1laq 1 103 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 103 1 2 . . . . . . . . . 19 . H2'' parsed_1laq 1 104 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 104 1 2 . . . . . . . . . 20 . H1' parsed_1laq 1 105 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 105 1 2 . . . . . . . . . 20 . H2' parsed_1laq 1 106 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 106 1 2 . . . . . . . . . 20 . H2'' parsed_1laq 1 107 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 107 1 2 . . . . . . . . . 20 . H3' parsed_1laq 1 108 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1 108 1 2 . . . . . . . . . 20 . H5' parsed_1laq 1 109 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1 109 1 2 . . . . . . . . . 20 . H3' parsed_1laq 1 110 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1 110 1 2 . . . . . . . . . 21 . H3' parsed_1laq 1 111 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1 111 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1 111 1 2 . . . . . . . . . 21 . H5' parsed_1laq 1 112 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1 112 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1 112 1 2 . . . . . . . . . 22 . H6 parsed_1laq 1 113 1 1 . . . . . . . . . 22 . H6 parsed_1laq 1 113 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1 114 1 1 . . . . . . . . . 22 . H1' parsed_1laq 1 114 1 2 . . . . . . . . . 22 . H2'' parsed_1laq 1 115 1 1 . . . . . . . . . 23 . H6 parsed_1laq 1 115 1 2 . . . . . . . . . 22 . H4' parsed_1laq 1 116 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1 116 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1 117 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1 117 1 2 . . . . . . . . . 22 . H2'' parsed_1laq 1 118 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1 118 1 2 . . . . . . . . . 23 . H2' parsed_1laq 1 119 1 1 . . . . . . . . . 23 . H1' parsed_1laq 1 119 1 2 . . . . . . . . . 23 . H3' parsed_1laq 1 120 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 120 1 2 . . . . . . . . . 23 . H2'' parsed_1laq 1 121 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 121 1 2 . . . . . . . . . 23 . H3' parsed_1laq 1 122 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 122 1 2 . . . . . . . . . 24 . H2' parsed_1laq 1 123 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 123 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1 124 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 124 1 2 . . . . . . . . . 24 . H5' parsed_1laq 1 125 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1 125 1 2 . . . . . . . . . 24 . H5'' parsed_1laq 1 126 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1 126 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1 127 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1 127 1 2 . . . . . . . . . 24 . H4' parsed_1laq 1 128 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1 128 1 2 . . . . . . . . . 24 . H8 parsed_1laq 1 129 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1 129 1 2 . . . . . . . . . 24 . H1' parsed_1laq 1 130 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1 130 1 2 . . . . . . . . . 24 . H2' parsed_1laq 1 131 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1 131 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1 132 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1 132 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1 133 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1 133 1 2 . . . . . . . . . 25 . H3' parsed_1laq 1 134 1 1 . . . . . . . . . 25 . H1' parsed_1laq 1 134 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1 135 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1 135 1 2 . . . . . . . . . 25 . H3' parsed_1laq 1 136 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1 136 1 2 . . . . . . . . . 25 . H6 parsed_1laq 1 137 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1 137 1 2 . . . . . . . . . 26 . H2' parsed_1laq 1 138 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1 138 1 2 . . . . . . . . . 26 . H4' parsed_1laq 1 139 1 1 . . . . . . . . . 26 . H5' parsed_1laq 1 139 1 1 . . . . . . . . . 26 . H5'' parsed_1laq 1 139 1 2 . . . . . . . . . 26 . H8 parsed_1laq 1 140 1 1 . . . . . . . . . 26 . H5' parsed_1laq 1 140 1 1 . . . . . . . . . 26 . H5'' parsed_1laq 1 140 1 2 . . . . . . . . . 26 . H3' parsed_1laq 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 . . . . . 2.77 1.76 3.79 parsed_1laq 1 2 1 . . . . . 3.12 1.88 4.36 parsed_1laq 1 3 1 . . . . . 2.93 1.91 3.95 parsed_1laq 1 4 1 . . . . . 2.40 2.04 2.76 parsed_1laq 1 5 1 . . . . . 4.17 3.24 5.10 parsed_1laq 1 6 1 . . . . . 2.95 1.94 3.96 parsed_1laq 1 7 1 . . . . . 3.25 2.46 4.04 parsed_1laq 1 8 1 . . . . . 4.20 3.28 5.12 parsed_1laq 1 9 1 . . . . . 3.97 2.14 5.80 parsed_1laq 1 10 1 . . . . . 3.28 1.85 4.70 parsed_1laq 1 11 1 . . . . . 2.58 2.12 3.04 parsed_1laq 1 12 1 . . . . . 3.14 1.97 4.31 parsed_1laq 1 13 1 . . . . . 3.01 2.20 3.82 parsed_1laq 1 14 1 . . . . . 4.22 3.48 4.97 parsed_1laq 1 15 1 . . . . . 2.79 1.65 3.93 parsed_1laq 1 16 1 . . . . . 2.24 2.02 2.46 parsed_1laq 1 17 1 . . . . . 3.49 2.72 4.25 parsed_1laq 1 18 1 . . . . . 3.90 2.98 4.82 parsed_1laq 1 19 1 . . . . . 3.49 3.00 3.97 parsed_1laq 1 20 1 . . . . . 3.00 2.08 3.93 parsed_1laq 1 21 1 . . . . . 2.26 2.02 2.50 parsed_1laq 1 22 1 . . . . . 3.25 2.24 4.26 parsed_1laq 1 23 1 . . . . . 3.52 3.04 4.00 parsed_1laq 1 24 1 . . . . . 2.95 2.60 3.29 parsed_1laq 1 25 1 . . . . . 3.06 2.32 3.80 parsed_1laq 1 26 1 . . . . . 4.80 3.43 6.18 parsed_1laq 1 27 1 . . . . . 3.21 2.28 4.13 parsed_1laq 1 28 1 . . . . . 4.45 3.41 5.49 parsed_1laq 1 29 1 . . . . . 5.62 5.08 6.16 parsed_1laq 1 30 1 . . . . . 2.96 2.67 3.25 parsed_1laq 1 31 1 . . . . . 4.64 3.85 5.43 parsed_1laq 1 32 1 . . . . . 5.30 4.29 6.31 parsed_1laq 1 33 1 . . . . . 2.44 2.09 2.79 parsed_1laq 1 34 1 . . . . . 2.85 2.12 3.58 parsed_1laq 1 35 1 . . . . . 2.46 2.14 2.78 parsed_1laq 1 36 1 . . . . . 2.82 2.19 3.45 parsed_1laq 1 37 1 . . . . . 2.27 1.99 2.56 parsed_1laq 1 38 1 . . . . . 2.43 2.05 2.82 parsed_1laq 1 39 1 . . . . . 3.35 2.89 3.81 parsed_1laq 1 40 1 . . . . . 4.15 3.00 5.31 parsed_1laq 1 41 1 . . . . . 4.70 3.60 5.79 parsed_1laq 1 42 1 . . . . . 2.96 1.96 3.96 parsed_1laq 1 43 1 . . . . . 3.29 2.25 4.33 parsed_1laq 1 44 1 . . . . . 4.73 3.29 6.18 parsed_1laq 1 45 1 . . . . . 5.17 3.31 7.04 parsed_1laq 1 46 1 . . . . . 3.91 2.81 5.00 parsed_1laq 1 47 1 . . . . . 3.13 2.30 3.96 parsed_1laq 1 48 1 . . . . . 3.11 2.21 4.01 parsed_1laq 1 49 1 . . . . . 3.25 1.84 4.67 parsed_1laq 1 50 1 . . . . . 3.21 2.49 3.94 parsed_1laq 1 51 1 . . . . . 3.96 2.85 5.08 parsed_1laq 1 52 1 . . . . . 2.19 1.99 2.39 parsed_1laq 1 53 1 . . . . . 3.54 2.60 4.49 parsed_1laq 1 54 1 . . . . . 3.87 2.33 5.41 parsed_1laq 1 55 1 . . . . . 2.79 2.29 3.29 parsed_1laq 1 56 1 . . . . . 4.23 3.17 5.29 parsed_1laq 1 57 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1 58 1 . . . . . 2.17 2.01 2.32 parsed_1laq 1 59 1 . . . . . 3.00 2.10 3.90 parsed_1laq 1 60 1 . . . . . 3.25 2.66 3.85 parsed_1laq 1 61 1 . . . . . 3.83 2.83 4.83 parsed_1laq 1 62 1 . . . . . 2.51 2.30 2.73 parsed_1laq 1 63 1 . . . . . 4.45 3.09 5.80 parsed_1laq 1 64 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1 65 1 . . . . . 3.53 2.36 4.70 parsed_1laq 1 66 1 . . . . . 2.88 2.38 3.38 parsed_1laq 1 67 1 . . . . . 2.52 2.04 3.00 parsed_1laq 1 68 1 . . . . . 2.41 2.15 2.66 parsed_1laq 1 69 1 . . . . . 3.62 2.54 4.70 parsed_1laq 1 70 1 . . . . . 2.42 1.77 3.07 parsed_1laq 1 71 1 . . . . . 4.43 3.52 5.35 parsed_1laq 1 72 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1 73 1 . . . . . 2.25 2.09 2.41 parsed_1laq 1 74 1 . . . . . 4.62 3.38 5.86 parsed_1laq 1 75 1 . . . . . 4.02 3.03 5.02 parsed_1laq 1 76 1 . . . . . 2.44 2.19 2.69 parsed_1laq 1 77 1 . . . . . 2.78 2.06 3.49 parsed_1laq 1 78 1 . . . . . 2.89 2.04 3.74 parsed_1laq 1 79 1 . . . . . 3.76 2.50 5.02 parsed_1laq 1 80 1 . . . . . 2.92 1.89 3.94 parsed_1laq 1 81 1 . . . . . 2.31 1.95 2.68 parsed_1laq 1 82 1 . . . . . 3.00 1.97 4.04 parsed_1laq 1 83 1 . . . . . 4.14 3.18 5.10 parsed_1laq 1 84 1 . . . . . 3.27 2.42 4.12 parsed_1laq 1 85 1 . . . . . 4.16 3.27 5.05 parsed_1laq 1 86 1 . . . . . 3.92 2.03 5.80 parsed_1laq 1 87 1 . . . . . 3.29 1.88 4.70 parsed_1laq 1 88 1 . . . . . 2.49 2.06 2.92 parsed_1laq 1 89 1 . . . . . 3.26 2.06 4.47 parsed_1laq 1 90 1 . . . . . 2.35 1.75 2.95 parsed_1laq 1 91 1 . . . . . 2.21 2.11 2.31 parsed_1laq 1 92 1 . . . . . 2.43 2.04 2.82 parsed_1laq 1 93 1 . . . . . 3.09 2.20 3.98 parsed_1laq 1 94 1 . . . . . 2.95 2.01 3.89 parsed_1laq 1 95 1 . . . . . 3.81 3.11 4.51 parsed_1laq 1 96 1 . . . . . 2.97 2.32 3.63 parsed_1laq 1 97 1 . . . . . 2.12 1.96 2.27 parsed_1laq 1 98 1 . . . . . 3.56 2.67 4.45 parsed_1laq 1 99 1 . . . . . 3.44 2.40 4.48 parsed_1laq 1 100 1 . . . . . 4.47 3.23 5.72 parsed_1laq 1 101 1 . . . . . 3.50 3.01 3.98 parsed_1laq 1 102 1 . . . . . 3.47 3.00 3.94 parsed_1laq 1 103 1 . . . . . 2.65 2.30 3.00 parsed_1laq 1 104 1 . . . . . 3.42 2.80 4.04 parsed_1laq 1 105 1 . . . . . 2.87 2.45 3.29 parsed_1laq 1 106 1 . . . . . 3.29 2.33 4.25 parsed_1laq 1 107 1 . . . . . 3.61 2.77 4.44 parsed_1laq 1 108 1 . . . . . 3.40 2.63 4.17 parsed_1laq 1 109 1 . . . . . 3.67 2.34 5.00 parsed_1laq 1 110 1 . . . . . 3.54 2.60 4.47 parsed_1laq 1 111 1 . . . . . 3.25 2.22 4.28 parsed_1laq 1 112 1 . . . . . 3.42 3.00 3.84 parsed_1laq 1 113 1 . . . . . 2.33 2.03 2.62 parsed_1laq 1 114 1 . . . . . 2.08 1.97 2.19 parsed_1laq 1 115 1 . . . . . 4.29 2.78 5.80 parsed_1laq 1 116 1 . . . . . 2.75 1.87 3.63 parsed_1laq 1 117 1 . . . . . 2.61 2.16 3.06 parsed_1laq 1 118 1 . . . . . 3.43 2.14 4.72 parsed_1laq 1 119 1 . . . . . 3.96 2.44 5.49 parsed_1laq 1 120 1 . . . . . 2.63 2.30 2.96 parsed_1laq 1 121 1 . . . . . 4.43 3.28 5.59 parsed_1laq 1 122 1 . . . . . 2.17 1.99 2.36 parsed_1laq 1 123 1 . . . . . 2.93 2.12 3.74 parsed_1laq 1 124 1 . . . . . 3.17 2.71 3.63 parsed_1laq 1 125 1 . . . . . 3.75 2.73 4.77 parsed_1laq 1 126 1 . . . . . 2.52 2.30 2.74 parsed_1laq 1 127 1 . . . . . 4.21 2.61 5.80 parsed_1laq 1 128 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1 129 1 . . . . . 3.46 2.22 4.70 parsed_1laq 1 130 1 . . . . . 2.85 2.39 3.31 parsed_1laq 1 131 1 . . . . . 2.43 2.03 2.84 parsed_1laq 1 132 1 . . . . . 2.52 2.08 2.96 parsed_1laq 1 133 1 . . . . . 3.77 2.62 4.92 parsed_1laq 1 134 1 . . . . . 2.39 1.70 3.08 parsed_1laq 1 135 1 . . . . . 4.25 3.25 5.25 parsed_1laq 1 136 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1 137 1 . . . . . 2.25 2.09 2.40 parsed_1laq 1 138 1 . . . . . 4.72 3.41 6.03 parsed_1laq 1 139 1 . . . . . 3.88 2.89 4.87 parsed_1laq 1 140 1 . . . . . 3.00 2.00 4.00 parsed_1laq 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 ub+1.5 1 81 1 91 parsed_1laq 1 2 ub+2 2 81 2 91 parsed_1laq 1 3 ub+1.5 3 81 3 91 parsed_1laq 1 4 ub+0.5 4 81 4 91 parsed_1laq 1 5 ; ub=5.1 assign ( resid 1 and name H2' )( resid 2 and name H5'' ) 3.65 0.77 0.77 ! OFF assign ( resid 2 and name H8 )( resid 1 and name Q5' ) 4.75 1.12 1.12 ! OFF ; 5 81 7 93 parsed_1laq 1 6 ub+1.5 8 81 8 91 parsed_1laq 1 7 ub+0.5 9 81 9 91 parsed_1laq 1 8 ub+1 10 81 10 91 parsed_1laq 1 9 ub=5.8 11 81 11 91 parsed_1laq 1 10 ub=4.7 12 81 12 91 parsed_1laq 1 11 nc 13 81 13 91 parsed_1laq 1 12 ub+1.5 14 81 14 91 parsed_1laq 1 13 ub+0.5 15 81 15 91 parsed_1laq 1 14 ; nc assign ( resid 4 and name H8 )( resid 3 and name Q5' ) 3.97 0.45 0.46 ! OFF ; 16 81 17 93 parsed_1laq 1 15 ub+0.8 18 81 18 91 parsed_1laq 1 16 nc 19 81 19 91 parsed_1laq 1 17 nc 20 81 20 91 parsed_1laq 1 18 nc 21 81 21 91 parsed_1laq 1 19 ub+0.5 22 81 22 91 parsed_1laq 1 20 ub+1.5 23 81 23 91 parsed_1laq 1 21 nc 24 81 24 91 parsed_1laq 1 22 ub+1 25 81 25 91 parsed_1laq 1 23 nc 26 81 26 91 parsed_1laq 1 24 nc 27 81 27 91 parsed_1laq 1 25 ub+0.5 28 81 28 91 parsed_1laq 1 26 ub+.02 29 81 29 91 parsed_1laq 1 27 nc 30 81 30 91 parsed_1laq 1 28 ub+0.5 31 81 31 91 parsed_1laq 1 29 nc 33 81 33 91 parsed_1laq 1 30 nc 34 81 34 91 parsed_1laq 1 31 nc 35 81 35 91 parsed_1laq 1 32 nc 36 81 36 91 parsed_1laq 1 33 nc 37 81 37 91 parsed_1laq 1 34 nc 38 81 38 91 parsed_1laq 1 35 nc 39 81 39 91 parsed_1laq 1 36 nc 40 81 40 91 parsed_1laq 1 37 nc 42 81 42 91 parsed_1laq 1 38 ; nc assign ( resid 7 and name H8 )( resid 8 and name H5# ) 5.22 1.27 1.27 ! OFF ; 44 81 45 93 parsed_1laq 1 39 nc 46 81 46 91 parsed_1laq 1 40 lb-1 48 81 48 91 parsed_1laq 1 41 lb-1 50 81 50 91 parsed_1laq 1 42 ub+0.5 51 81 51 91 parsed_1laq 1 43 nc 52 81 52 91 parsed_1laq 1 44 ub+0.3 53 81 53 91 parsed_1laq 1 45 ub+1 54 81 54 91 parsed_1laq 1 46 ub=5 55 81 55 91 parsed_1laq 1 47 ub+1 56 81 56 91 parsed_1laq 1 48 ub+0.5 57 81 57 91 parsed_1laq 1 49 ; ub+1.5 assign ( resid 9 and name H5 )( resid 9 and name H3' ) 3.07 0.62 0.62 ! OFF ; 58 81 59 93 parsed_1laq 1 50 nc 60 81 60 91 parsed_1laq 1 51 ub+0.5 61 81 61 91 parsed_1laq 1 52 nc 62 81 62 91 parsed_1laq 1 53 ; ub+0.5 assign ( resid 10 and name H5 )( resid 10 and name H2'' ) 2.55 0.47 0.47 ! OFF assign ( resid 10 and name H5 )( resid 10 and name H3' ) 4.71 1.02 1.03 ! OFF ; 63 81 65 93 parsed_1laq 1 54 ub+1 66 81 66 91 parsed_1laq 1 55 lb=2.3 67 81 67 91 parsed_1laq 1 56 nc 68 81 68 91 parsed_1laq 1 57 gen 69 81 69 91 parsed_1laq 1 58 nc 70 81 70 91 parsed_1laq 1 59 ub+1 71 81 71 91 parsed_1laq 1 60 nc 72 81 72 91 parsed_1laq 1 61 ub+0.5 73 81 73 91 parsed_1laq 1 62 lb=2.3 74 81 74 91 parsed_1laq 1 63 ub=5.8 75 81 75 91 parsed_1laq 1 64 gen 76 81 76 91 parsed_1laq 1 65 ub=4.7 77 81 77 91 parsed_1laq 1 66 nc 78 81 78 91 parsed_1laq 1 67 ub+0.2 79 81 79 91 parsed_1laq 1 68 nc 80 81 80 91 parsed_1laq 1 69 ub+0.5 81 81 81 91 parsed_1laq 1 70 ub+0.5 82 81 82 91 parsed_1laq 1 71 nc 83 81 83 91 parsed_1laq 1 72 gen 84 81 84 91 parsed_1laq 1 73 nc 85 81 85 91 parsed_1laq 1 74 ub+1 86 81 86 91 parsed_1laq 1 75 nc 88 81 88 91 parsed_1laq 1 76 nc 89 81 89 91 parsed_1laq 1 77 ub+1 91 81 91 91 parsed_1laq 1 78 ub+1.2 92 81 92 91 parsed_1laq 1 79 ub+1.5 93 81 93 91 parsed_1laq 1 80 ub+1.5 94 81 94 91 parsed_1laq 1 81 ; ub+0.5 assign ( resid 14 and name H2' )( resid 15 and name H5'' ) 3.27 0.69 0.69 ! OFF assign ( resid 15 and name H8 )( resid 14 and name Q5' ) 4.45 1.00 1.00 ! OFF ; 95 81 97 93 parsed_1laq 1 82 ub+1.5 98 81 98 91 parsed_1laq 1 83 ub=5.1 99 81 99 91 parsed_1laq 1 84 ub+0.5 100 81 100 91 parsed_1laq 1 85 nc 101 81 101 91 parsed_1laq 1 86 ub=5.8 102 81 102 91 parsed_1laq 1 87 ub=4.7 103 81 103 91 parsed_1laq 1 88 nc 104 81 104 91 parsed_1laq 1 89 ub+1.5 105 81 105 91 parsed_1laq 1 90 ub+0.5 106 81 106 91 parsed_1laq 1 91 ; nc assign ( resid 17 and name H8 )( resid 16 and name Q5' ) 3.95 0.36 0.36 ! OFF ; 107 81 108 93 parsed_1laq 1 92 nc 109 81 109 91 parsed_1laq 1 93 ub+0.5 110 81 110 91 parsed_1laq 1 94 ub+0.5 111 81 111 91 parsed_1laq 1 95 nc 113 81 113 91 parsed_1laq 1 96 ub+0.5 114 81 114 91 parsed_1laq 1 97 nc 115 81 115 91 parsed_1laq 1 98 ub+1 116 81 116 91 parsed_1laq 1 99 ub+1 117 81 117 91 parsed_1laq 1 100 ub+1 118 81 118 91 parsed_1laq 1 101 nc 119 81 119 91 parsed_1laq 1 102 ub+0.5 120 81 120 91 parsed_1laq 1 103 lb=2.3 121 81 121 91 parsed_1laq 1 104 nc 122 81 122 91 parsed_1laq 1 105 nc 123 81 123 91 parsed_1laq 1 106 ub+1 124 81 124 91 parsed_1laq 1 107 ub+0.8 125 81 125 91 parsed_1laq 1 108 nc 126 81 126 91 parsed_1laq 1 109 ub+1 127 81 127 91 parsed_1laq 1 110 ub+0.8 128 81 128 91 parsed_1laq 1 111 ub+1.5 130 81 130 91 parsed_1laq 1 112 ub+0.3 132 81 132 91 parsed_1laq 1 113 nc 133 81 133 91 parsed_1laq 1 114 nc 134 81 134 91 parsed_1laq 1 115 ub=5.8 135 81 135 91 parsed_1laq 1 116 ub+0.5 136 81 136 91 parsed_1laq 1 117 nc 137 81 137 91 parsed_1laq 1 118 ; ub+1.5 assign ( resid 23 and name H5 )( resid 23 and name H2'' ) 3.28 0.60 0.59 ! OFF ; 138 81 139 93 parsed_1laq 1 119 ub+1 140 81 140 91 parsed_1laq 1 120 lb=2.3 141 81 141 91 parsed_1laq 1 121 nc 142 81 142 91 parsed_1laq 1 122 nc 143 81 143 91 parsed_1laq 1 123 ub+1 144 81 144 91 parsed_1laq 1 124 nc 145 81 145 91 parsed_1laq 1 125 ub+0.5 146 81 146 91 parsed_1laq 1 126 lb=2.3 147 81 147 91 parsed_1laq 1 127 ub=5.8 148 81 148 91 parsed_1laq 1 128 gen 149 81 149 91 parsed_1laq 1 129 ub=4.7 150 81 150 91 parsed_1laq 1 130 nc 151 81 151 91 parsed_1laq 1 131 nc 152 81 152 91 parsed_1laq 1 132 nc 153 81 153 91 parsed_1laq 1 133 ub+0.5 154 81 154 91 parsed_1laq 1 134 ub+0.5 155 81 155 91 parsed_1laq 1 135 nc 156 81 156 91 parsed_1laq 1 136 gen 157 81 157 91 parsed_1laq 1 137 nc 158 81 158 91 parsed_1laq 1 138 ub+1 159 81 159 91 parsed_1laq 1 139 ; nc assign ( resid 26 and name H2'' )( resid 26 and name H3' ) 0.00 0.00 0.00 ! nc ; 161 81 162 93 parsed_1laq 1 140 ub+1 164 81 164 91 parsed_1laq 1 stop_ save_
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