NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
35830 | 1me0 | cing | 2-parsed | STAR | entry | full | 268 |
data_1me0_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1me0 _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_1me0 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1me0 _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 1me0 "Master copy" parsed_1me0 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1me0 _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 1me0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 2 distance NOE simple 174 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1me0 1 1 1me0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1me0 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1me0 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER DNA, RNA 07-AUG-02 1ME0 *TITLE CHIMERIC HAIRPIN WITH 2',5'-LINKED RNA LOOP AND DNA STEM *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*GP*GP*AP*C)-R(P*(U25)P*(U25)P*(C25)P*(G25) *COMPND 3 )-D(P*GP*TP*CP*C)-3'; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE *SOURCE 4 CHEMISTRY *KEYWDS HAIRPIN, (2',5')-RNA, DNA *EXPDTA NMR, 10 STRUCTURES *AUTHOR A.Y.DENISOV, R.N.HANNOUSH, K.GEHRING, M.J.DAMHA *REVDAT 1 19-AUG-03 1ME0 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1me0 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_1me0 1 2 1 . . . parsed_1me0 1 3 1 . . . parsed_1me0 1 4 1 . . . parsed_1me0 1 5 1 . . . parsed_1me0 1 6 1 . . . parsed_1me0 1 7 1 . . . parsed_1me0 1 8 1 . . . parsed_1me0 1 9 1 . . . parsed_1me0 1 10 1 . . . parsed_1me0 1 11 1 . . . parsed_1me0 1 12 1 . . . parsed_1me0 1 13 1 . . . parsed_1me0 1 14 1 . . . parsed_1me0 1 15 1 . . . parsed_1me0 1 16 1 . . . parsed_1me0 1 17 1 . . . parsed_1me0 1 18 1 . . . parsed_1me0 1 19 1 . . . parsed_1me0 1 20 1 . . . parsed_1me0 1 21 1 . . . parsed_1me0 1 22 1 . . . parsed_1me0 1 23 1 . . . parsed_1me0 1 24 1 . . . parsed_1me0 1 25 1 . . . parsed_1me0 1 26 1 . . . parsed_1me0 1 27 1 . . . parsed_1me0 1 28 1 . . . parsed_1me0 1 29 1 . . . parsed_1me0 1 30 1 . . . parsed_1me0 1 31 1 . . . parsed_1me0 1 32 1 . . . parsed_1me0 1 33 1 . . . parsed_1me0 1 34 1 . . . parsed_1me0 1 35 1 . . . parsed_1me0 1 36 1 . . . parsed_1me0 1 37 1 . . . parsed_1me0 1 38 1 . . . parsed_1me0 1 39 1 . . . parsed_1me0 1 40 1 . . . parsed_1me0 1 41 1 . . . parsed_1me0 1 42 1 . . . parsed_1me0 1 43 1 . . . parsed_1me0 1 44 1 . . . parsed_1me0 1 45 1 . . . parsed_1me0 1 46 1 . . . parsed_1me0 1 47 1 . . . parsed_1me0 1 48 1 . . . parsed_1me0 1 49 1 . . . parsed_1me0 1 50 1 . . . parsed_1me0 1 51 1 . . . parsed_1me0 1 52 1 . . . parsed_1me0 1 53 1 . . . parsed_1me0 1 54 1 . . . parsed_1me0 1 55 1 . . . parsed_1me0 1 56 1 . . . parsed_1me0 1 57 1 . . . parsed_1me0 1 58 1 . . . parsed_1me0 1 59 1 . . . parsed_1me0 1 60 1 . . . parsed_1me0 1 61 1 . . . parsed_1me0 1 62 1 . . . parsed_1me0 1 63 1 . . . parsed_1me0 1 64 1 . . . parsed_1me0 1 65 1 . . . parsed_1me0 1 66 1 . . . parsed_1me0 1 67 1 . . . parsed_1me0 1 68 1 . . . parsed_1me0 1 69 1 . . . parsed_1me0 1 70 1 . . . parsed_1me0 1 71 1 . . . parsed_1me0 1 72 1 . . . parsed_1me0 1 73 1 . . . parsed_1me0 1 74 1 . . . parsed_1me0 1 75 1 . . . parsed_1me0 1 76 1 . . . parsed_1me0 1 77 1 . . . parsed_1me0 1 78 1 . . . parsed_1me0 1 79 1 . . . parsed_1me0 1 80 1 . . . parsed_1me0 1 81 1 . . . parsed_1me0 1 82 1 . . . parsed_1me0 1 83 1 . . . parsed_1me0 1 84 1 . . . parsed_1me0 1 85 1 . . . parsed_1me0 1 86 1 . . . parsed_1me0 1 87 1 . . . parsed_1me0 1 88 1 . . . parsed_1me0 1 89 1 . . . parsed_1me0 1 90 1 . . . parsed_1me0 1 91 1 . . . parsed_1me0 1 92 1 . . . parsed_1me0 1 93 1 . . . parsed_1me0 1 94 1 . . . parsed_1me0 1 95 1 . . . parsed_1me0 1 96 1 . . . parsed_1me0 1 97 1 . . . parsed_1me0 1 98 1 . . . parsed_1me0 1 99 1 . . . parsed_1me0 1 100 1 . . . parsed_1me0 1 101 1 . . . parsed_1me0 1 102 1 . . . parsed_1me0 1 103 1 . . . parsed_1me0 1 104 1 . . . parsed_1me0 1 105 1 . . . parsed_1me0 1 106 1 . . . parsed_1me0 1 107 1 . . . parsed_1me0 1 108 1 . . . parsed_1me0 1 109 1 . . . parsed_1me0 1 110 1 . . . parsed_1me0 1 111 1 . . . parsed_1me0 1 112 1 . . . parsed_1me0 1 113 1 . . . parsed_1me0 1 114 1 . . . parsed_1me0 1 115 1 . . . parsed_1me0 1 116 1 . . . parsed_1me0 1 117 1 . . . parsed_1me0 1 118 1 . . . parsed_1me0 1 119 1 . . . parsed_1me0 1 120 1 . . . parsed_1me0 1 121 1 . . . parsed_1me0 1 122 1 . . . parsed_1me0 1 123 1 . . . parsed_1me0 1 124 1 . . . parsed_1me0 1 125 1 . . . parsed_1me0 1 126 1 . . . parsed_1me0 1 127 1 . . . parsed_1me0 1 128 1 . . . parsed_1me0 1 129 1 . . . parsed_1me0 1 130 1 . . . parsed_1me0 1 131 1 . . . parsed_1me0 1 132 1 . . . parsed_1me0 1 133 1 . . . parsed_1me0 1 134 1 . . . parsed_1me0 1 135 1 . . . parsed_1me0 1 136 1 . . . parsed_1me0 1 137 1 . . . parsed_1me0 1 138 1 . . . parsed_1me0 1 139 1 . . . parsed_1me0 1 140 1 . . . parsed_1me0 1 141 1 . . . parsed_1me0 1 142 1 . . . parsed_1me0 1 143 1 . . . parsed_1me0 1 144 1 . . . parsed_1me0 1 145 1 . . . parsed_1me0 1 146 1 . . . parsed_1me0 1 147 1 . . . parsed_1me0 1 148 1 . . . parsed_1me0 1 149 1 . . . parsed_1me0 1 150 1 . . . parsed_1me0 1 151 1 . . . parsed_1me0 1 152 1 . . . parsed_1me0 1 153 1 . . . parsed_1me0 1 154 1 . . . parsed_1me0 1 155 1 . . . parsed_1me0 1 156 1 . . . parsed_1me0 1 157 1 . . . parsed_1me0 1 158 1 . . . parsed_1me0 1 159 1 . . . parsed_1me0 1 160 1 . . . parsed_1me0 1 161 1 . . . parsed_1me0 1 162 1 . . . parsed_1me0 1 163 1 . . . parsed_1me0 1 164 1 . . . parsed_1me0 1 165 1 . . . parsed_1me0 1 166 1 . . . parsed_1me0 1 167 1 . . . parsed_1me0 1 168 1 . . . parsed_1me0 1 169 1 . . . parsed_1me0 1 170 1 . . . parsed_1me0 1 171 1 . . . parsed_1me0 1 172 1 . . . parsed_1me0 1 173 1 . . . parsed_1me0 1 174 1 . . . parsed_1me0 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 . h1' parsed_1me0 1 1 1 2 . . . . . . . . . 1 . h2' parsed_1me0 1 2 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 2 1 2 . . . . . . . . . 2 . h2' parsed_1me0 1 3 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 3 1 2 . . . . . . . . . 3 . h2' parsed_1me0 1 4 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 4 1 2 . . . . . . . . . 4 . h2' parsed_1me0 1 5 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 5 1 2 . . . . . . . . . 5 . h2' parsed_1me0 1 6 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 6 1 2 . . . . . . . . . 6 . h2' parsed_1me0 1 7 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 7 1 2 . . . . . . . . . 7 . h2' parsed_1me0 1 8 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 8 1 2 . . . . . . . . . 8 . h2' parsed_1me0 1 9 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 9 1 2 . . . . . . . . . 9 . h2' parsed_1me0 1 10 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 10 1 2 . . . . . . . . . 10 . h2' parsed_1me0 1 11 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 11 1 2 . . . . . . . . . 11 . h2' parsed_1me0 1 12 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1 12 1 2 . . . . . . . . . 12 . h2' parsed_1me0 1 13 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1 13 1 2 . . . . . . . . . 1 . h2'' parsed_1me0 1 14 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 14 1 2 . . . . . . . . . 2 . h2'' parsed_1me0 1 15 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 15 1 2 . . . . . . . . . 3 . h2'' parsed_1me0 1 16 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 16 1 2 . . . . . . . . . 4 . h2'' parsed_1me0 1 17 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 17 1 2 . . . . . . . . . 9 . h2'' parsed_1me0 1 18 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 18 1 2 . . . . . . . . . 10 . h2'' parsed_1me0 1 19 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 19 1 2 . . . . . . . . . 11 . h2'' parsed_1me0 1 20 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1 20 1 2 . . . . . . . . . 12 . h2'' parsed_1me0 1 21 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 21 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1 22 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 22 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1 23 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 23 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1 24 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 24 1 2 . . . . . . . . . 6 . h3' parsed_1me0 1 25 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 25 1 2 . . . . . . . . . 7 . h3' parsed_1me0 1 26 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 26 1 2 . . . . . . . . . 8 . h3' parsed_1me0 1 27 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 27 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1 28 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1 28 1 2 . . . . . . . . . 12 . h3' parsed_1me0 1 29 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1 29 1 2 . . . . . . . . . 1 . h4' parsed_1me0 1 30 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 30 1 2 . . . . . . . . . 2 . h4' parsed_1me0 1 31 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 31 1 2 . . . . . . . . . 3 . h4' parsed_1me0 1 32 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 32 1 2 . . . . . . . . . 4 . h4' parsed_1me0 1 33 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 33 1 2 . . . . . . . . . 5 . h4' parsed_1me0 1 34 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 34 1 2 . . . . . . . . . 6 . h4' parsed_1me0 1 35 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 35 1 2 . . . . . . . . . 7 . h4' parsed_1me0 1 36 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 36 1 2 . . . . . . . . . 8 . h4' parsed_1me0 1 37 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 37 1 2 . . . . . . . . . 9 . h4' parsed_1me0 1 38 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 38 1 2 . . . . . . . . . 10 . h4' parsed_1me0 1 39 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 39 1 2 . . . . . . . . . 11 . h4' parsed_1me0 1 40 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1 40 1 2 . . . . . . . . . 12 . h4' parsed_1me0 1 41 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1 41 1 2 . . . . . . . . . 1 . h3' parsed_1me0 1 42 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1 42 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1 43 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1 43 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1 44 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1 44 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1 45 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1 45 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1 46 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1 46 1 2 . . . . . . . . . 11 . h3' parsed_1me0 1 47 1 1 . . . . . . . . . 1 . h2'' parsed_1me0 1 47 1 2 . . . . . . . . . 1 . h3' parsed_1me0 1 48 1 1 . . . . . . . . . 2 . h2'' parsed_1me0 1 48 1 2 . . . . . . . . . 2 . h3' parsed_1me0 1 49 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1 49 1 2 . . . . . . . . . 3 . h3' parsed_1me0 1 50 1 1 . . . . . . . . . 4 . h2'' parsed_1me0 1 50 1 2 . . . . . . . . . 4 . h3' parsed_1me0 1 51 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1 51 1 2 . . . . . . . . . 9 . h3' parsed_1me0 1 52 1 1 . . . . . . . . . 1 . h3' parsed_1me0 1 52 1 2 . . . . . . . . . 1 . h4' parsed_1me0 1 53 1 1 . . . . . . . . . 2 . h3' parsed_1me0 1 53 1 2 . . . . . . . . . 2 . h4' parsed_1me0 1 54 1 1 . . . . . . . . . 3 . h3' parsed_1me0 1 54 1 2 . . . . . . . . . 3 . h4' parsed_1me0 1 55 1 1 . . . . . . . . . 8 . h3' parsed_1me0 1 55 1 2 . . . . . . . . . 8 . h4' parsed_1me0 1 56 1 1 . . . . . . . . . 11 . h3' parsed_1me0 1 56 1 2 . . . . . . . . . 11 . h4' parsed_1me0 1 57 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1 57 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1 58 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 58 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 59 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 59 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 60 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 60 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 61 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 61 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 62 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 62 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1 63 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 63 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1 64 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 64 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 65 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 65 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 66 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 66 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 67 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 67 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 68 1 1 . . . . . . . . . 12 . h1' parsed_1me0 1 68 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 69 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1 69 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1 70 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1 70 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 71 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1 71 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 72 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1 72 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 73 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1 73 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 74 1 1 . . . . . . . . . 6 . h2' parsed_1me0 1 74 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1 75 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1 75 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1 76 1 1 . . . . . . . . . 8 . h2' parsed_1me0 1 76 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 77 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1 77 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 78 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1 78 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 79 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1 79 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 80 1 1 . . . . . . . . . 12 . h2' parsed_1me0 1 80 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 81 1 1 . . . . . . . . . 1 . h3' parsed_1me0 1 81 1 2 . . . . . . . . . 1 . h8 parsed_1me0 1 82 1 1 . . . . . . . . . 2 . h3' parsed_1me0 1 82 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 83 1 1 . . . . . . . . . 3 . h3' parsed_1me0 1 83 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 84 1 1 . . . . . . . . . 4 . h3' parsed_1me0 1 84 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 85 1 1 . . . . . . . . . 5 . h3' parsed_1me0 1 85 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 86 1 1 . . . . . . . . . 6 . h3' parsed_1me0 1 86 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1 87 1 1 . . . . . . . . . 7 . h3' parsed_1me0 1 87 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1 88 1 1 . . . . . . . . . 8 . h3' parsed_1me0 1 88 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 89 1 1 . . . . . . . . . 9 . h3' parsed_1me0 1 89 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 90 1 1 . . . . . . . . . 11 . h3' parsed_1me0 1 90 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 91 1 1 . . . . . . . . . 12 . h3' parsed_1me0 1 91 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 92 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1 92 1 2 . . . . . . . . . 3 . h1' parsed_1me0 1 93 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1 93 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 94 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 94 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 95 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 95 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 96 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 96 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 97 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 97 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1 98 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 98 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1 99 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 99 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 100 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 100 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 101 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 101 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 102 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 102 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 103 1 1 . . . . . . . . . 1 . h2' parsed_1me0 1 103 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 104 1 1 . . . . . . . . . 2 . h2' parsed_1me0 1 104 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 105 1 1 . . . . . . . . . 3 . h2' parsed_1me0 1 105 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 106 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1 106 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 107 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1 107 1 2 . . . . . . . . . 6 . h6 parsed_1me0 1 108 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1 108 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 109 1 1 . . . . . . . . . 8 . h2' parsed_1me0 1 109 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 110 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1 110 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 111 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1 111 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 112 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1 112 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 113 1 1 . . . . . . . . . 1 . h2'' parsed_1me0 1 113 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 114 1 1 . . . . . . . . . 2 . h2'' parsed_1me0 1 114 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 115 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1 115 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 116 1 1 . . . . . . . . . 4 . h2'' parsed_1me0 1 116 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 117 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1 117 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 118 1 1 . . . . . . . . . 10 . h2'' parsed_1me0 1 118 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 119 1 1 . . . . . . . . . 11 . h2'' parsed_1me0 1 119 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 120 1 1 . . . . . . . . . 7 . h3' parsed_1me0 1 120 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 121 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1 121 1 2 . . . . . . . . . 4 . h1' parsed_1me0 1 122 1 1 . . . . . . . . . 3 . h8 parsed_1me0 1 122 1 2 . . . . . . . . . 4 . h5 parsed_1me0 1 123 1 1 . . . . . . . . . 3 . h2'' parsed_1me0 1 123 1 2 . . . . . . . . . 4 . h5 parsed_1me0 1 124 1 1 . . . . . . . . . 3 . h8 parsed_1me0 1 124 1 2 . . . . . . . . . 4 . h6 parsed_1me0 1 125 1 1 . . . . . . . . . 4 . h6 parsed_1me0 1 125 1 2 . . . . . . . . . 5 . h5 parsed_1me0 1 126 1 1 . . . . . . . . . 4 . h2' parsed_1me0 1 126 1 2 . . . . . . . . . 5 . h5 parsed_1me0 1 127 1 1 . . . . . . . . . 5 . h2' parsed_1me0 1 127 1 2 . . . . . . . . . 6 . h5 parsed_1me0 1 128 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 128 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1 129 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 129 1 2 . . . . . . . . . 7 . h3' parsed_1me0 1 130 1 1 . . . . . . . . . 9 . h8 parsed_1me0 1 130 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1 131 1 1 . . . . . . . . . 9 . h2' parsed_1me0 1 131 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1 132 1 1 . . . . . . . . . 9 . h2'' parsed_1me0 1 132 1 2 . . . . . . . . . 10 . h5# parsed_1me0 1 133 1 1 . . . . . . . . . 10 . h6 parsed_1me0 1 133 1 2 . . . . . . . . . 11 . h5 parsed_1me0 1 134 1 1 . . . . . . . . . 10 . h2' parsed_1me0 1 134 1 2 . . . . . . . . . 11 . h5 parsed_1me0 1 135 1 1 . . . . . . . . . 11 . h6 parsed_1me0 1 135 1 2 . . . . . . . . . 12 . h5 parsed_1me0 1 136 1 1 . . . . . . . . . 11 . h2' parsed_1me0 1 136 1 2 . . . . . . . . . 12 . h5 parsed_1me0 1 137 1 1 . . . . . . . . . 3 . h2 parsed_1me0 1 137 1 2 . . . . . . . . . 11 . h1' parsed_1me0 1 138 1 1 . . . . . . . . . 5 . h3 parsed_1me0 1 138 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1 139 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 139 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1 140 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 140 1 2 . . . . . . . . . 5 . h3 parsed_1me0 1 141 1 1 . . . . . . . . . 6 . h5' parsed_1me0 1 141 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1 142 1 1 . . . . . . . . . 6 . h4' parsed_1me0 1 142 1 2 . . . . . . . . . 8 . h1 parsed_1me0 1 143 1 1 . . . . . . . . . 5 . h3 parsed_1me0 1 143 1 2 . . . . . . . . . 9 . h1 parsed_1me0 1 144 1 1 . . . . . . . . . 8 . h1 parsed_1me0 1 144 1 2 . . . . . . . . . 9 . h1 parsed_1me0 1 145 1 1 . . . . . . . . . 1 . h1' parsed_1me0 1 145 1 2 . . . . . . . . . 2 . h5' parsed_1me0 1 146 1 1 . . . . . . . . . 2 . h1' parsed_1me0 1 146 1 2 . . . . . . . . . 3 . h5' parsed_1me0 1 147 1 1 . . . . . . . . . 3 . h1' parsed_1me0 1 147 1 2 . . . . . . . . . 4 . h5' parsed_1me0 1 148 1 1 . . . . . . . . . 4 . h1' parsed_1me0 1 148 1 2 . . . . . . . . . 5 . h5' parsed_1me0 1 149 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 149 1 2 . . . . . . . . . 6 . h5' parsed_1me0 1 150 1 1 . . . . . . . . . 8 . h1' parsed_1me0 1 150 1 2 . . . . . . . . . 9 . h5' parsed_1me0 1 151 1 1 . . . . . . . . . 9 . h1' parsed_1me0 1 151 1 2 . . . . . . . . . 10 . h5' parsed_1me0 1 152 1 1 . . . . . . . . . 10 . h1' parsed_1me0 1 152 1 2 . . . . . . . . . 11 . h5' parsed_1me0 1 153 1 1 . . . . . . . . . 11 . h1' parsed_1me0 1 153 1 2 . . . . . . . . . 12 . h5' parsed_1me0 1 154 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 154 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 155 1 1 . . . . . . . . . 6 . h5 parsed_1me0 1 155 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1 156 1 1 . . . . . . . . . 6 . h5 parsed_1me0 1 156 1 2 . . . . . . . . . 7 . h6 parsed_1me0 1 157 1 1 . . . . . . . . . 6 . h6 parsed_1me0 1 157 1 2 . . . . . . . . . 7 . h5 parsed_1me0 1 158 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1 158 1 2 . . . . . . . . . 8 . h5' parsed_1me0 1 159 1 1 . . . . . . . . . 7 . h2' parsed_1me0 1 159 1 2 . . . . . . . . . 8 . h5'' parsed_1me0 1 160 1 1 . . . . . . . . . 5 . h1' parsed_1me0 1 160 1 2 . . . . . . . . . 6 . h5'' parsed_1me0 1 161 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 161 1 2 . . . . . . . . . 7 . h5' parsed_1me0 1 162 1 1 . . . . . . . . . 6 . h1' parsed_1me0 1 162 1 2 . . . . . . . . . 7 . h5'' parsed_1me0 1 163 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 163 1 2 . . . . . . . . . 8 . h5' parsed_1me0 1 164 1 1 . . . . . . . . . 7 . h1' parsed_1me0 1 164 1 2 . . . . . . . . . 8 . h5'' parsed_1me0 1 165 1 1 . . . . . . . . . 1 . h8 parsed_1me0 1 165 1 2 . . . . . . . . . 2 . h8 parsed_1me0 1 166 1 1 . . . . . . . . . 2 . h8 parsed_1me0 1 166 1 2 . . . . . . . . . 3 . h8 parsed_1me0 1 167 1 1 . . . . . . . . . 4 . h6 parsed_1me0 1 167 1 2 . . . . . . . . . 5 . h6 parsed_1me0 1 168 1 1 . . . . . . . . . 7 . h6 parsed_1me0 1 168 1 2 . . . . . . . . . 8 . h8 parsed_1me0 1 169 1 1 . . . . . . . . . 8 . h8 parsed_1me0 1 169 1 2 . . . . . . . . . 9 . h8 parsed_1me0 1 170 1 1 . . . . . . . . . 9 . h8 parsed_1me0 1 170 1 2 . . . . . . . . . 10 . h6 parsed_1me0 1 171 1 1 . . . . . . . . . 10 . h6 parsed_1me0 1 171 1 2 . . . . . . . . . 11 . h6 parsed_1me0 1 172 1 1 . . . . . . . . . 11 . h6 parsed_1me0 1 172 1 2 . . . . . . . . . 12 . h6 parsed_1me0 1 173 1 1 . . . . . . . . . 7 . h5 parsed_1me0 1 173 1 2 . . . . . . . . . 8 . h1' parsed_1me0 1 174 1 1 . . . . . . . . . 7 . h5 parsed_1me0 1 174 1 2 . . . . . . . . . 6 . h4' parsed_1me0 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 . . . . . 2.9 2.6 3.4 parsed_1me0 1 2 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 3 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 4 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 5 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 6 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 7 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 8 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 9 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 10 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 11 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 12 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 13 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1 14 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 15 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 16 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 17 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 18 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 19 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1 20 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1 21 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 22 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 23 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1 24 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1 25 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1 26 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 27 1 . . . . . 3.6 3.1 4.3 parsed_1me0 1 28 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1 29 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 30 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 31 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 32 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 33 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 34 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 35 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 36 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 37 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 38 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 39 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 40 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 41 1 . . . . . 2.6 2.4 2.8 parsed_1me0 1 42 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 43 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 44 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 45 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 46 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 47 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 48 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1 49 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1 50 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1 51 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 52 1 . . . . . 2.5 2.2 3.0 parsed_1me0 1 53 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 54 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 55 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1 56 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 57 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1 58 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 59 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 60 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 61 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1 62 1 . . . . . 3.6 2.1 5.1 parsed_1me0 1 63 1 . . . . . 3.4 1.9 4.9 parsed_1me0 1 64 1 . . . . . 3.3 1.8 4.8 parsed_1me0 1 65 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 66 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 67 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 68 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 69 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1 70 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 71 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 72 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 73 1 . . . . . 2.6 2.3 3.1 parsed_1me0 1 74 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 75 1 . . . . . 2.5 2.3 2.7 parsed_1me0 1 76 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 77 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 78 1 . . . . . 2.3 2.1 2.5 parsed_1me0 1 79 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 80 1 . . . . . 2.4 2.2 2.6 parsed_1me0 1 81 1 . . . . . 3.5 3.2 4.0 parsed_1me0 1 82 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1 83 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1 84 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 85 1 . . . . . 2.5 2.2 3.0 parsed_1me0 1 86 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 87 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 88 1 . . . . . 2.4 2.1 2.9 parsed_1me0 1 89 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 90 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 91 1 . . . . . 2.9 2.6 3.6 parsed_1me0 1 92 1 . . . . . 4.5 4.0 5.2 parsed_1me0 1 93 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 94 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1 95 1 . . . . . 3.4 2.9 4.1 parsed_1me0 1 96 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1 97 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1 98 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 99 1 . . . . . 3.6 3.1 4.3 parsed_1me0 1 100 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1 101 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1 102 1 . . . . . 4.0 3.5 4.7 parsed_1me0 1 103 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 104 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 105 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 106 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 107 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 108 1 . . . . . 3.4 3.1 3.9 parsed_1me0 1 109 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 110 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 111 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 112 1 . . . . . 2.9 2.6 3.4 parsed_1me0 1 113 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 114 1 . . . . . 2.8 2.5 3.3 parsed_1me0 1 115 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 116 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 117 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 118 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 119 1 . . . . . 2.9 2.6 3.6 parsed_1me0 1 120 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 121 1 . . . . . 4.4 3.9 5.1 parsed_1me0 1 122 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 123 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 124 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1 125 1 . . . . . 3.9 3.4 4.6 parsed_1me0 1 126 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 127 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 128 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 129 1 . . . . . 3.8 3.3 4.5 parsed_1me0 1 130 1 . . . . . 3.2 2.9 3.7 parsed_1me0 1 131 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 132 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 133 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 134 1 . . . . . 3.5 3.0 4.2 parsed_1me0 1 135 1 . . . . . 4.2 3.7 4.9 parsed_1me0 1 136 1 . . . . . 3.7 3.2 4.4 parsed_1me0 1 137 1 . . . . . 4.3 4.0 4.8 parsed_1me0 1 138 1 . . . . . 3.0 2.7 3.5 parsed_1me0 1 139 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1 140 1 . . . . . 4.0 3.5 5.0 parsed_1me0 1 141 1 . . . . . 3.3 2.8 4.0 parsed_1me0 1 142 1 . . . . . 3.5 3.0 4.5 parsed_1me0 1 143 1 . . . . . 3.8 3.3 4.8 parsed_1me0 1 144 1 . . . . . 4.0 3.5 5.0 parsed_1me0 1 145 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 146 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 147 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 148 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 149 1 . . . . . 3.1 2.8 3.6 parsed_1me0 1 150 1 . . . . . 2.7 2.4 3.2 parsed_1me0 1 151 1 . . . . . 3.2 2.9 3.7 parsed_1me0 1 152 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 153 1 . . . . . 3.3 3.0 3.8 parsed_1me0 1 154 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1 155 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1 156 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1 157 1 . . . . . 5.5 5.0 104.5 parsed_1me0 1 158 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1 159 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1 160 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1 161 1 . . . . . 4.0 3.5 103.0 parsed_1me0 1 162 1 . . . . . 4.0 3.5 103.0 parsed_1me0 1 163 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1 164 1 . . . . . 3.5 3.0 102.5 parsed_1me0 1 165 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 166 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 167 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 168 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 169 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 170 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 171 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 172 1 . . . . . 5.0 4.5 104.0 parsed_1me0 1 173 1 . . . . . 4.5 4.0 103.5 parsed_1me0 1 174 1 . . . . . 4.5 4.0 103.5 parsed_1me0 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 ; ----------------------------------------------------------------- 25RNAloopDNAstem (constraints for X-PLOR) ----------------------------------------------------------------- NOEconstraints=(56+36)+(43+1+7+9)= 152 ----------------------------------------------------------------- intrasugar (56) ----------------------------------------------------------------- H1'-H2' ; 2 1 10 9 parsed_1me0 1 2 H1'-H2" 24 1 24 10 parsed_1me0 1 3 H1'-H3' 34 1 34 10 parsed_1me0 1 4 H1'-H4' 44 1 44 11 parsed_1me0 1 5 H2'-H3' 58 1 58 11 parsed_1me0 1 6 H2''-H3' 66 1 66 12 parsed_1me0 1 7 H3'-H4' 73 1 73 10 parsed_1me0 1 8 ; ------------------------------------------------------------------- intraresidual base-to-sugar (36) ------------------------------------------------------------------- H1'-H6/H8 ; 80 1 84 12 parsed_1me0 1 9 H2'-H6/H8 98 1 98 12 parsed_1me0 1 10 H3'-H6/H8 113 1 113 11 parsed_1me0 1 11 other 126 1 126 8 parsed_1me0 1 12 ; ------------------------------------------------------------------------ sequential interresidual (43) ------------------------------------------------------------------------ H1'-H6/H8 ; 129 1 133 12 parsed_1me0 1 13 H2'-H6/H8 145 1 145 12 parsed_1me0 1 14 H2''-H6/H8 157 1 157 13 parsed_1me0 1 15 H3'-H6/H8 166 1 166 12 parsed_1me0 1 16 other 169 1 169 8 parsed_1me0 1 17 ; -------------------------------------------------------------------- long-range interresidual (1) -------------------------------------------------------------------- ; 194 1 196 71 parsed_1me0 1 18 ; -------------------------------------------------------------------- from imino (7) -------------------------------------------------------------------- ; 201 1 203 71 parsed_1me0 1 19 ; --------------------------------------------------------------------- H1'-H5' (9) --------------------------------------------------------------------- ; 214 1 216 71 parsed_1me0 1 20 ; --------------------------------------------------------------------- repulsions (not count) --------------------------------------------------------------------- ; 229 1 231 71 parsed_1me0 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1me0 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_1me0 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_1me0 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_1me0 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_1me0 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_1me0 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_1me0 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_1me0 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 9 . p . 9 . o5' . 9 . c5' . 9 . c4' parsed_1me0 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_1me0 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 11 . p . 11 . o5' . 11 . c5' . 11 . c4' parsed_1me0 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_1me0 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 1 . o5' . 1 . c5' . 1 . c4' . 1 . c3' parsed_1me0 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_1me0 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_1me0 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_1me0 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_1me0 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . o5' . 6 . c5' . 6 . c4' . 6 . c3' parsed_1me0 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_1me0 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . o5' . 8 . c5' . 8 . c4' . 8 . c3' parsed_1me0 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_1me0 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_1me0 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 11 . o5' . 11 . c5' . 11 . c4' . 11 . c3' parsed_1me0 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . o5' . 12 . c5' . 12 . c4' . 12 . c3' parsed_1me0 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_1me0 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_1me0 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_1me0 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_1me0 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 5 . H2' . 5 . c2' . 5 . o2' . 6 . p parsed_1me0 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 6 . H2' . 6 . c2' . 6 . o2' . 7 . p parsed_1me0 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 7 . H2' . 7 . c2' . 7 . o2' . 8 . p parsed_1me0 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 8 . H2' . 8 . c2' . 8 . o2' . 9 . p parsed_1me0 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_1me0 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_1me0 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 210.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_1me0 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; --------------------------------------------------------------------------- constraints on TORSIONS = 94 --------------------------------------------------------------------------- torsion restraints on beta ; 2 1 5 28 parsed_1me0 1 2 "torsion constraints on gamma" 31 1 31 30 parsed_1me0 1 3 "torsion restraints on epsilon" 59 1 59 31 parsed_1me0 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1me0 _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 1 . c4' . 1 . o4' . 1 . c1' . 1 . c2' parsed_1me0 2 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 2 . c4' . 2 . o4' . 2 . c1' . 2 . c2' parsed_1me0 2 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 3 . c4' . 3 . o4' . 3 . c1' . 3 . c2' parsed_1me0 2 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 4 . c4' . 4 . o4' . 4 . c1' . 4 . c2' parsed_1me0 2 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 5 . c4' . 5 . o4' . 5 . c1' . 5 . c2' parsed_1me0 2 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 6 . c4' . 6 . o4' . 6 . c1' . 6 . c2' parsed_1me0 2 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 7 . c4' . 7 . o4' . 7 . c1' . 7 . c2' parsed_1me0 2 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 8 . c4' . 8 . o4' . 8 . c1' . 8 . c2' parsed_1me0 2 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 9 . c4' . 9 . o4' . 9 . c1' . 9 . c2' parsed_1me0 2 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 10 . c4' . 10 . o4' . 10 . c1' . 10 . c2' parsed_1me0 2 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 11 . c4' . 11 . o4' . 11 . c1' . 11 . c2' parsed_1me0 2 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 12 . c4' . 12 . o4' . 12 . c1' . 12 . c2' parsed_1me0 2 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 1 . o4' . 1 . c1' . 1 . c2' . 1 . c3' parsed_1me0 2 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 2 . o4' . 2 . c1' . 2 . c2' . 2 . c3' parsed_1me0 2 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 3 . o4' . 3 . c1' . 3 . c2' . 3 . c3' parsed_1me0 2 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_1me0 2 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 5 . o4' . 5 . c1' . 5 . c2' . 5 . c3' parsed_1me0 2 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 6 . o4' . 6 . c1' . 6 . c2' . 6 . c3' parsed_1me0 2 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 7 . o4' . 7 . c1' . 7 . c2' . 7 . c3' parsed_1me0 2 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 8 . o4' . 8 . c1' . 8 . c2' . 8 . c3' parsed_1me0 2 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 9 . o4' . 9 . c1' . 9 . c2' . 9 . c3' parsed_1me0 2 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 10 . o4' . 10 . c1' . 10 . c2' . 10 . c3' parsed_1me0 2 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_1me0 2 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_1me0 2 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 1 . c1' . 1 . c2' . 1 . c3' . 1 . c4' parsed_1me0 2 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 2 . c1' . 2 . c2' . 2 . c3' . 2 . c4' parsed_1me0 2 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 3 . c1' . 3 . c2' . 3 . c3' . 3 . c4' parsed_1me0 2 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_1me0 2 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 5 . c1' . 5 . c2' . 5 . c3' . 5 . c4' parsed_1me0 2 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 6 . c1' . 6 . c2' . 6 . c3' . 6 . c4' parsed_1me0 2 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 7 . c1' . 7 . c2' . 7 . c3' . 7 . c4' parsed_1me0 2 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 8 . c1' . 8 . c2' . 8 . c3' . 8 . c4' parsed_1me0 2 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 9 . c1' . 9 . c2' . 9 . c3' . 9 . c4' parsed_1me0 2 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 10 . c1' . 10 . c2' . 10 . c3' . 10 . c4' parsed_1me0 2 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_1me0 2 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_1me0 2 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 1 . c2' . 1 . c3' . 1 . c4' . 1 . o4' parsed_1me0 2 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 2 . c2' . 2 . c3' . 2 . c4' . 2 . o4' parsed_1me0 2 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 3 . c2' . 3 . c3' . 3 . c4' . 3 . o4' parsed_1me0 2 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_1me0 2 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 5 . c2' . 5 . c3' . 5 . c4' . 5 . o4' parsed_1me0 2 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 6 . c2' . 6 . c3' . 6 . c4' . 6 . o4' parsed_1me0 2 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 7 . c2' . 7 . c3' . 7 . c4' . 7 . o4' parsed_1me0 2 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 8 . c2' . 8 . c3' . 8 . c4' . 8 . o4' parsed_1me0 2 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 9 . c2' . 9 . c3' . 9 . c4' . 9 . o4' parsed_1me0 2 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 10 . c2' . 10 . c3' . 10 . c4' . 10 . o4' parsed_1me0 2 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_1me0 2 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_1me0 2 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 1 . c3' . 1 . c4' . 1 . o4' . 1 . c1' parsed_1me0 2 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 2 . c3' . 2 . c4' . 2 . o4' . 2 . c1' parsed_1me0 2 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 3 . c3' . 3 . c4' . 3 . o4' . 3 . c1' parsed_1me0 2 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 4 . c3' . 4 . c4' . 4 . o4' . 4 . c1' parsed_1me0 2 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 5 . c3' . 5 . c4' . 5 . o4' . 5 . c1' parsed_1me0 2 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 6 . c3' . 6 . c4' . 6 . o4' . 6 . c1' parsed_1me0 2 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 7 . c3' . 7 . c4' . 7 . o4' . 7 . c1' parsed_1me0 2 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 8 . c3' . 8 . c4' . 8 . o4' . 8 . c1' parsed_1me0 2 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 9 . c3' . 9 . c4' . 9 . o4' . 9 . c1' parsed_1me0 2 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 10 . c3' . 10 . c4' . 10 . o4' . 10 . c1' parsed_1me0 2 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 11 . c3' . 11 . c4' . 11 . o4' . 11 . c1' parsed_1me0 2 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 12 . c3' . 12 . c4' . 12 . o4' . 12 . c1' parsed_1me0 2 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; constraints on sugar v0, v1, v2, v3 and v4 torsion angles Calculated from this formula: vj = vmax*cos(P+(j-2)*144), where j=0,1,2,3,4 and P is the pseudorotational angle and vmax=37 P are 150, 150, 150, 150, 20, 150, 150, 20, 150, 150, 150, 150 respectively v0 ; 3 1 8 4 parsed_1me0 2 2 v1 34 1 34 4 parsed_1me0 2 3 v2 60 1 60 4 parsed_1me0 2 4 v3 86 1 86 4 parsed_1me0 2 5 v4 112 1 112 4 parsed_1me0 2 6 ------------------------------------------------------------------------ 138 1 138 74 parsed_1me0 2 stop_ save_
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