NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
577881 | 2mh6 | 19620 | cing | 2-parsed | STAR | entry | full | 322 |
data_2mh6_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mh6 _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_2mh6 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mh6 _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 2mh6 "Master copy" parsed_2mh6 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mh6 _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 2mh6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mh6 1 1 2mh6.mr . . XPLOR/CNS 2 distance NOE simple 197 parsed_2mh6 1 1 2mh6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 125 parsed_2mh6 1 1 2mh6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mh6 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_2mh6 _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 18-NOV-13 2MH6 *TITLE SOLUTION STRUCTURE OF DNA DUPLEX CONTAINING N3T-ETHYLENE-N1I *TITLE 2 INTERSTRAND CROSS-LINK *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*CP*AP*GP*TP*TP*CP*CP*A)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(*TP*GP*GP*AP*IP*CP*TP*G)-3'; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS DNA DUPLEX, INTERSTRAND CROSS-LINK, DNA *EXPDTA SOLUTION NMR *NUMMDL 11 *AUTHOR A.Y.DENISOV, D.K.O'FLAHERTY, A.M.NORONHA, C.J.WILDS *REVDAT 1 02-JUL-14 2MH6 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mh6 _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_2mh6 1 2 1 . . . parsed_2mh6 1 3 1 . . . parsed_2mh6 1 4 1 . . . parsed_2mh6 1 5 1 . . . parsed_2mh6 1 6 1 . . . parsed_2mh6 1 7 1 . . . parsed_2mh6 1 8 1 . . . parsed_2mh6 1 9 1 . . . parsed_2mh6 1 10 1 . . . parsed_2mh6 1 11 1 . . . parsed_2mh6 1 12 1 . . . parsed_2mh6 1 13 1 . . . parsed_2mh6 1 14 1 . . . parsed_2mh6 1 15 1 . . . parsed_2mh6 1 16 1 . . . parsed_2mh6 1 17 1 . . . parsed_2mh6 1 18 1 . . . parsed_2mh6 1 19 1 . . . parsed_2mh6 1 20 1 . . . parsed_2mh6 1 21 1 . . . parsed_2mh6 1 22 1 . . . parsed_2mh6 1 23 1 . . . parsed_2mh6 1 24 1 . . . parsed_2mh6 1 25 1 . . . parsed_2mh6 1 26 1 . . . parsed_2mh6 1 27 1 . . . parsed_2mh6 1 28 1 . . . parsed_2mh6 1 29 1 . . . parsed_2mh6 1 30 1 . . . parsed_2mh6 1 31 1 . . . parsed_2mh6 1 32 1 . . . parsed_2mh6 1 33 1 . . . parsed_2mh6 1 34 1 . . . parsed_2mh6 1 35 1 . . . parsed_2mh6 1 36 1 . . . parsed_2mh6 1 37 1 . . . parsed_2mh6 1 38 1 . . . parsed_2mh6 1 39 1 . . . parsed_2mh6 1 40 1 . . . parsed_2mh6 1 41 1 . . . parsed_2mh6 1 42 1 . . . parsed_2mh6 1 43 1 . . . parsed_2mh6 1 44 1 . . . parsed_2mh6 1 45 1 . . . parsed_2mh6 1 46 1 . . . parsed_2mh6 1 47 1 . . . parsed_2mh6 1 48 1 . . . parsed_2mh6 1 49 1 . . . parsed_2mh6 1 50 1 . . . parsed_2mh6 1 51 1 . . . parsed_2mh6 1 52 1 . . . parsed_2mh6 1 53 1 . . . parsed_2mh6 1 54 1 . . . parsed_2mh6 1 55 1 . . . parsed_2mh6 1 56 1 . . . parsed_2mh6 1 57 1 . . . parsed_2mh6 1 58 1 . . . parsed_2mh6 1 59 1 . . . parsed_2mh6 1 60 1 . . . parsed_2mh6 1 61 1 . . . parsed_2mh6 1 62 1 . . . parsed_2mh6 1 63 1 . . . parsed_2mh6 1 64 1 . . . parsed_2mh6 1 65 1 . . . parsed_2mh6 1 66 1 . . . parsed_2mh6 1 67 1 . . . parsed_2mh6 1 68 1 . . . parsed_2mh6 1 69 1 . . . parsed_2mh6 1 70 1 . . . parsed_2mh6 1 71 1 . . . parsed_2mh6 1 72 1 . . . parsed_2mh6 1 73 1 . . . parsed_2mh6 1 74 1 . . . parsed_2mh6 1 75 1 . . . parsed_2mh6 1 76 1 . . . parsed_2mh6 1 77 1 . . . parsed_2mh6 1 78 1 . . . parsed_2mh6 1 79 1 . . . parsed_2mh6 1 80 1 . . . parsed_2mh6 1 81 1 . . . parsed_2mh6 1 82 1 . . . parsed_2mh6 1 83 1 . . . parsed_2mh6 1 84 1 . . . parsed_2mh6 1 85 1 . . . parsed_2mh6 1 86 1 . . . parsed_2mh6 1 87 1 . . . parsed_2mh6 1 88 1 . . . parsed_2mh6 1 89 1 . . . parsed_2mh6 1 90 1 . . . parsed_2mh6 1 91 1 . . . parsed_2mh6 1 92 1 . . . parsed_2mh6 1 93 1 . . . parsed_2mh6 1 94 1 . . . parsed_2mh6 1 95 1 . . . parsed_2mh6 1 96 1 . . . parsed_2mh6 1 97 1 . . . parsed_2mh6 1 98 1 . . . parsed_2mh6 1 99 1 . . . parsed_2mh6 1 100 1 . . . parsed_2mh6 1 101 1 . . . parsed_2mh6 1 102 1 . . . parsed_2mh6 1 103 1 . . . parsed_2mh6 1 104 1 . . . parsed_2mh6 1 105 1 . . . parsed_2mh6 1 106 1 . . . parsed_2mh6 1 107 1 . . . parsed_2mh6 1 108 1 . . . parsed_2mh6 1 109 1 . . . parsed_2mh6 1 110 1 . . . parsed_2mh6 1 111 1 . . . parsed_2mh6 1 112 1 . . . parsed_2mh6 1 113 1 . . . parsed_2mh6 1 114 1 . . . parsed_2mh6 1 115 1 . . . parsed_2mh6 1 116 1 . . . parsed_2mh6 1 117 1 . . . parsed_2mh6 1 118 1 . . . parsed_2mh6 1 119 1 . . . parsed_2mh6 1 120 1 . . . parsed_2mh6 1 121 1 . . . parsed_2mh6 1 122 1 . . . parsed_2mh6 1 123 1 . . . parsed_2mh6 1 124 1 . . . parsed_2mh6 1 125 1 . . . parsed_2mh6 1 126 1 . . . parsed_2mh6 1 127 1 . . . parsed_2mh6 1 128 1 . . . parsed_2mh6 1 129 1 . . . parsed_2mh6 1 130 1 . . . parsed_2mh6 1 131 1 . . . parsed_2mh6 1 132 1 . . . parsed_2mh6 1 133 1 . . . parsed_2mh6 1 134 1 . . . parsed_2mh6 1 135 1 . . . parsed_2mh6 1 136 1 . . . parsed_2mh6 1 137 1 . . . parsed_2mh6 1 138 1 . . . parsed_2mh6 1 139 1 . . . parsed_2mh6 1 140 1 . . . parsed_2mh6 1 141 1 . . . parsed_2mh6 1 142 1 . . . parsed_2mh6 1 143 1 . . . parsed_2mh6 1 144 1 . . . parsed_2mh6 1 145 1 . . . parsed_2mh6 1 146 1 . . . parsed_2mh6 1 147 1 . . . parsed_2mh6 1 148 1 . . . parsed_2mh6 1 149 1 . . . parsed_2mh6 1 150 1 . . . parsed_2mh6 1 151 1 . . . parsed_2mh6 1 152 1 . . . parsed_2mh6 1 153 1 . . . parsed_2mh6 1 154 1 . . . parsed_2mh6 1 155 1 . . . parsed_2mh6 1 156 1 . . . parsed_2mh6 1 157 1 . . . parsed_2mh6 1 158 1 . . . parsed_2mh6 1 159 1 . . . parsed_2mh6 1 160 1 . . . parsed_2mh6 1 161 1 . . . parsed_2mh6 1 162 1 . . . parsed_2mh6 1 163 1 . . . parsed_2mh6 1 164 1 . . . parsed_2mh6 1 165 1 . . . parsed_2mh6 1 166 1 . . . parsed_2mh6 1 167 1 . . . parsed_2mh6 1 168 1 . . . parsed_2mh6 1 169 1 . . . parsed_2mh6 1 170 1 . . . parsed_2mh6 1 171 1 . . . parsed_2mh6 1 172 1 . . . parsed_2mh6 1 173 1 . . . parsed_2mh6 1 174 1 . . . parsed_2mh6 1 175 1 . . . parsed_2mh6 1 176 1 . . . parsed_2mh6 1 177 1 . . . parsed_2mh6 1 178 1 . . . parsed_2mh6 1 179 1 . . . parsed_2mh6 1 180 1 . . . parsed_2mh6 1 181 1 . . . parsed_2mh6 1 182 1 . . . parsed_2mh6 1 183 1 . . . parsed_2mh6 1 184 1 . . . parsed_2mh6 1 185 1 . . . parsed_2mh6 1 186 1 . . . parsed_2mh6 1 187 1 . . . parsed_2mh6 1 188 1 . . . parsed_2mh6 1 189 1 . . . parsed_2mh6 1 190 1 . . . parsed_2mh6 1 191 1 . . . parsed_2mh6 1 192 1 . . . parsed_2mh6 1 193 1 . . . parsed_2mh6 1 194 1 . . . parsed_2mh6 1 195 1 . . . parsed_2mh6 1 196 1 . . . parsed_2mh6 1 197 1 . . . parsed_2mh6 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 . . . . . . . . A 1 . h1' parsed_2mh6 1 1 1 2 . . . . . . . . A 1 . h2' parsed_2mh6 1 2 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1 2 1 2 . . . . . . . . A 2 . h2' parsed_2mh6 1 3 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1 3 1 2 . . . . . . . . A 3 . h2' parsed_2mh6 1 4 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1 4 1 2 . . . . . . . . A 4 . h2' parsed_2mh6 1 5 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1 5 1 2 . . . . . . . . A 5 . h2' parsed_2mh6 1 6 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1 6 1 2 . . . . . . . . A 6 . h2' parsed_2mh6 1 7 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1 7 1 2 . . . . . . . . A 7 . h2' parsed_2mh6 1 8 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1 8 1 2 . . . . . . . . A 8 . h2' parsed_2mh6 1 9 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1 9 1 2 . . . . . . . . B 9 . h2' parsed_2mh6 1 10 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1 10 1 2 . . . . . . . . B 11 . h2' parsed_2mh6 1 11 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1 11 1 2 . . . . . . . . B 12 . h2' parsed_2mh6 1 12 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1 12 1 2 . . . . . . . . B 13 . h2' parsed_2mh6 1 13 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1 13 1 2 . . . . . . . . B 14 . h2' parsed_2mh6 1 14 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1 14 1 2 . . . . . . . . B 15 . h2' parsed_2mh6 1 15 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1 15 1 2 . . . . . . . . B 16 . h2' parsed_2mh6 1 16 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1 16 1 2 . . . . . . . . A 1 . h2'' parsed_2mh6 1 17 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1 17 1 2 . . . . . . . . A 2 . h2'' parsed_2mh6 1 18 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1 18 1 2 . . . . . . . . A 3 . h2'' parsed_2mh6 1 19 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1 19 1 2 . . . . . . . . A 4 . h2'' parsed_2mh6 1 20 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1 20 1 2 . . . . . . . . A 5 . h2'' parsed_2mh6 1 21 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1 21 1 2 . . . . . . . . A 6 . h2'' parsed_2mh6 1 22 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1 22 1 2 . . . . . . . . A 7 . h2'' parsed_2mh6 1 23 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1 23 1 2 . . . . . . . . A 8 . h2'' parsed_2mh6 1 24 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1 24 1 2 . . . . . . . . B 9 . h2'' parsed_2mh6 1 25 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1 25 1 2 . . . . . . . . B 10 . h2'' parsed_2mh6 1 26 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1 26 1 2 . . . . . . . . B 11 . h2'' parsed_2mh6 1 27 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1 27 1 2 . . . . . . . . B 12 . h2'' parsed_2mh6 1 28 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1 28 1 2 . . . . . . . . B 13 . h2'' parsed_2mh6 1 29 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1 29 1 2 . . . . . . . . B 14 . h2'' parsed_2mh6 1 30 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1 30 1 2 . . . . . . . . B 15 . h2'' parsed_2mh6 1 31 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1 31 1 2 . . . . . . . . B 16 . h2'' parsed_2mh6 1 32 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1 32 1 2 . . . . . . . . A 1 . h4' parsed_2mh6 1 33 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1 33 1 2 . . . . . . . . A 2 . h4' parsed_2mh6 1 34 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1 34 1 2 . . . . . . . . A 3 . h4' parsed_2mh6 1 35 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1 35 1 2 . . . . . . . . A 4 . h4' parsed_2mh6 1 36 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1 36 1 2 . . . . . . . . A 5 . h4' parsed_2mh6 1 37 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1 37 1 2 . . . . . . . . A 6 . h4' parsed_2mh6 1 38 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1 38 1 2 . . . . . . . . A 7 . h4' parsed_2mh6 1 39 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1 39 1 2 . . . . . . . . A 8 . h4' parsed_2mh6 1 40 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1 40 1 2 . . . . . . . . B 9 . h4' parsed_2mh6 1 41 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1 41 1 2 . . . . . . . . B 10 . h4' parsed_2mh6 1 42 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1 42 1 2 . . . . . . . . B 11 . h4' parsed_2mh6 1 43 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1 43 1 2 . . . . . . . . B 12 . h4' parsed_2mh6 1 44 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1 44 1 2 . . . . . . . . B 13 . h4' parsed_2mh6 1 45 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1 45 1 2 . . . . . . . . B 14 . h4' parsed_2mh6 1 46 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1 46 1 2 . . . . . . . . B 15 . h4' parsed_2mh6 1 47 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1 47 1 2 . . . . . . . . B 16 . h4' parsed_2mh6 1 48 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1 48 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1 49 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1 49 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 50 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1 50 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 51 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1 51 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 52 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1 52 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 53 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1 53 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 54 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1 54 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 55 1 1 . . . . . . . . A 8 . h1' parsed_2mh6 1 55 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 56 1 1 . . . . . . . . B 9 . h1' parsed_2mh6 1 56 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1 57 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1 57 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1 58 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1 58 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 59 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1 59 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 60 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1 60 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 61 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1 61 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 62 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1 62 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 63 1 1 . . . . . . . . B 16 . h1' parsed_2mh6 1 63 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 64 1 1 . . . . . . . . A 1 . h2' parsed_2mh6 1 64 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1 65 1 1 . . . . . . . . A 2 . h2' parsed_2mh6 1 65 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 66 1 1 . . . . . . . . A 3 . h2' parsed_2mh6 1 66 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 67 1 1 . . . . . . . . A 4 . h2' parsed_2mh6 1 67 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 68 1 1 . . . . . . . . A 5 . h2' parsed_2mh6 1 68 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 69 1 1 . . . . . . . . A 6 . h2' parsed_2mh6 1 69 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 70 1 1 . . . . . . . . A 7 . h2' parsed_2mh6 1 70 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 71 1 1 . . . . . . . . A 8 . h2' parsed_2mh6 1 71 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 72 1 1 . . . . . . . . B 9 . h2' parsed_2mh6 1 72 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1 73 1 1 . . . . . . . . B 10 . h2' parsed_2mh6 1 73 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1 74 1 1 . . . . . . . . B 11 . h2' parsed_2mh6 1 74 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 75 1 1 . . . . . . . . B 12 . h2' parsed_2mh6 1 75 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 76 1 1 . . . . . . . . B 13 . h2' parsed_2mh6 1 76 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 77 1 1 . . . . . . . . B 14 . h2' parsed_2mh6 1 77 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 78 1 1 . . . . . . . . B 15 . h2' parsed_2mh6 1 78 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 79 1 1 . . . . . . . . B 16 . h2' parsed_2mh6 1 79 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 80 1 1 . . . . . . . . A 1 . h2'' parsed_2mh6 1 80 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1 81 1 1 . . . . . . . . A 2 . h2'' parsed_2mh6 1 81 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 82 1 1 . . . . . . . . A 3 . h2'' parsed_2mh6 1 82 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 83 1 1 . . . . . . . . A 4 . h2'' parsed_2mh6 1 83 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 84 1 1 . . . . . . . . A 6 . h2'' parsed_2mh6 1 84 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 85 1 1 . . . . . . . . A 7 . h2'' parsed_2mh6 1 85 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 86 1 1 . . . . . . . . A 8 . h2'' parsed_2mh6 1 86 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 87 1 1 . . . . . . . . B 9 . h2'' parsed_2mh6 1 87 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1 88 1 1 . . . . . . . . B 11 . h2'' parsed_2mh6 1 88 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 89 1 1 . . . . . . . . B 12 . h2'' parsed_2mh6 1 89 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 90 1 1 . . . . . . . . B 13 . h2'' parsed_2mh6 1 90 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 91 1 1 . . . . . . . . B 14 . h2'' parsed_2mh6 1 91 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 92 1 1 . . . . . . . . B 15 . h2'' parsed_2mh6 1 92 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 93 1 1 . . . . . . . . B 16 . h2'' parsed_2mh6 1 93 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 94 1 1 . . . . . . . . A 1 . h3' parsed_2mh6 1 94 1 2 . . . . . . . . A 1 . h6 parsed_2mh6 1 95 1 1 . . . . . . . . A 2 . h3' parsed_2mh6 1 95 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 96 1 1 . . . . . . . . A 3 . h3' parsed_2mh6 1 96 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 97 1 1 . . . . . . . . A 4 . h3' parsed_2mh6 1 97 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 98 1 1 . . . . . . . . A 5 . h3' parsed_2mh6 1 98 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 99 1 1 . . . . . . . . A 6 . h3' parsed_2mh6 1 99 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 100 1 1 . . . . . . . . A 7 . h3' parsed_2mh6 1 100 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 101 1 1 . . . . . . . . A 8 . h3' parsed_2mh6 1 101 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 102 1 1 . . . . . . . . B 9 . h3' parsed_2mh6 1 102 1 2 . . . . . . . . B 9 . h6 parsed_2mh6 1 103 1 1 . . . . . . . . B 10 . h3' parsed_2mh6 1 103 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1 104 1 1 . . . . . . . . B 11 . h3' parsed_2mh6 1 104 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 105 1 1 . . . . . . . . B 12 . h3' parsed_2mh6 1 105 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 106 1 1 . . . . . . . . B 13 . h3' parsed_2mh6 1 106 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 107 1 1 . . . . . . . . B 14 . h3' parsed_2mh6 1 107 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 108 1 1 . . . . . . . . B 15 . h3' parsed_2mh6 1 108 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 109 1 1 . . . . . . . . B 16 . h3' parsed_2mh6 1 109 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 110 1 1 . . . . . . . . A 1 . h1' parsed_2mh6 1 110 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 111 1 1 . . . . . . . . A 2 . h1' parsed_2mh6 1 111 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 112 1 1 . . . . . . . . A 3 . h1' parsed_2mh6 1 112 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 113 1 1 . . . . . . . . A 4 . h1' parsed_2mh6 1 113 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 114 1 1 . . . . . . . . A 5 . h1' parsed_2mh6 1 114 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 115 1 1 . . . . . . . . A 6 . h1' parsed_2mh6 1 115 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 116 1 1 . . . . . . . . A 7 . h1' parsed_2mh6 1 116 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 117 1 1 . . . . . . . . B 10 . h1' parsed_2mh6 1 117 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 118 1 1 . . . . . . . . B 11 . h1' parsed_2mh6 1 118 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 119 1 1 . . . . . . . . B 12 . h1' parsed_2mh6 1 119 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 120 1 1 . . . . . . . . B 13 . h1' parsed_2mh6 1 120 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 121 1 1 . . . . . . . . B 14 . h1' parsed_2mh6 1 121 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 122 1 1 . . . . . . . . B 15 . h1' parsed_2mh6 1 122 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 123 1 1 . . . . . . . . A 1 . h2' parsed_2mh6 1 123 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 124 1 1 . . . . . . . . A 2 . h2' parsed_2mh6 1 124 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 125 1 1 . . . . . . . . A 3 . h2' parsed_2mh6 1 125 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 126 1 1 . . . . . . . . A 4 . h2' parsed_2mh6 1 126 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 127 1 1 . . . . . . . . A 5 . h2' parsed_2mh6 1 127 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 128 1 1 . . . . . . . . A 6 . h2' parsed_2mh6 1 128 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 129 1 1 . . . . . . . . B 10 . h2' parsed_2mh6 1 129 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 130 1 1 . . . . . . . . B 12 . h2' parsed_2mh6 1 130 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 131 1 1 . . . . . . . . B 13 . h2' parsed_2mh6 1 131 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 132 1 1 . . . . . . . . B 14 . h2' parsed_2mh6 1 132 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 133 1 1 . . . . . . . . B 15 . h2' parsed_2mh6 1 133 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 134 1 1 . . . . . . . . A 1 . h2'' parsed_2mh6 1 134 1 2 . . . . . . . . A 2 . h8 parsed_2mh6 1 135 1 1 . . . . . . . . A 2 . h2'' parsed_2mh6 1 135 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 136 1 1 . . . . . . . . A 3 . h2'' parsed_2mh6 1 136 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 137 1 1 . . . . . . . . A 4 . h2'' parsed_2mh6 1 137 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 138 1 1 . . . . . . . . A 5 . h2'' parsed_2mh6 1 138 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 139 1 1 . . . . . . . . A 6 . h2'' parsed_2mh6 1 139 1 2 . . . . . . . . A 7 . h6 parsed_2mh6 1 140 1 1 . . . . . . . . A 7 . h2'' parsed_2mh6 1 140 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 141 1 1 . . . . . . . . B 9 . h2'' parsed_2mh6 1 141 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1 142 1 1 . . . . . . . . B 10 . h2'' parsed_2mh6 1 142 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 143 1 1 . . . . . . . . B 11 . h2'' parsed_2mh6 1 143 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 144 1 1 . . . . . . . . B 13 . h2'' parsed_2mh6 1 144 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 145 1 1 . . . . . . . . B 14 . h2'' parsed_2mh6 1 145 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 146 1 1 . . . . . . . . A 2 . h3' parsed_2mh6 1 146 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 147 1 1 . . . . . . . . A 3 . h3' parsed_2mh6 1 147 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 148 1 1 . . . . . . . . A 4 . h3' parsed_2mh6 1 148 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 149 1 1 . . . . . . . . A 5 . h3' parsed_2mh6 1 149 1 2 . . . . . . . . A 6 . h6 parsed_2mh6 1 150 1 1 . . . . . . . . A 7 . h3' parsed_2mh6 1 150 1 2 . . . . . . . . A 8 . h8 parsed_2mh6 1 151 1 1 . . . . . . . . B 9 . h3' parsed_2mh6 1 151 1 2 . . . . . . . . B 10 . h8 parsed_2mh6 1 152 1 1 . . . . . . . . B 10 . h3' parsed_2mh6 1 152 1 2 . . . . . . . . B 11 . h8 parsed_2mh6 1 153 1 1 . . . . . . . . B 11 . h3' parsed_2mh6 1 153 1 2 . . . . . . . . B 12 . h8 parsed_2mh6 1 154 1 1 . . . . . . . . B 13 . h3' parsed_2mh6 1 154 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 155 1 1 . . . . . . . . B 14 . h3' parsed_2mh6 1 155 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 156 1 1 . . . . . . . . B 15 . h3' parsed_2mh6 1 156 1 2 . . . . . . . . B 16 . h8 parsed_2mh6 1 157 1 1 . . . . . . . . B 12 . h2 parsed_2mh6 1 157 1 2 . . . . . . . . A 6 . h1' parsed_2mh6 1 158 1 1 . . . . . . . . B 13 . h2 parsed_2mh6 1 158 1 2 . . . . . . . . A 5 . h1' parsed_2mh6 1 159 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1 159 1 2 . . . . . . . . B 16 . h1' parsed_2mh6 1 160 1 1 . . . . . . . . B 14 . h6 parsed_2mh6 1 160 1 2 . . . . . . . . B 15 . h6 parsed_2mh6 1 161 1 1 . . . . . . . . B 13 . h8 parsed_2mh6 1 161 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 162 1 1 . . . . . . . . A 3 . h8 parsed_2mh6 1 162 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 163 1 1 . . . . . . . . A 4 . h6 parsed_2mh6 1 163 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 164 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1 164 1 2 . . . . . . . . A 5 . h6 parsed_2mh6 1 165 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1 165 1 2 . . . . . . . . B 13 . h8 parsed_2mh6 1 166 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1 166 1 2 . . . . . . . . A 2 . h1' parsed_2mh6 1 167 1 1 . . . . . . . . B 12 . h2 parsed_2mh6 1 167 1 2 . . . . . . . . B 12 . h1' parsed_2mh6 1 168 1 1 . . . . . . . . B 13 . h2 parsed_2mh6 1 168 1 2 . . . . . . . . B 14 . h1' parsed_2mh6 1 169 1 1 . . . . . . . . A 2 . h2 parsed_2mh6 1 169 1 2 . . . . . . . . A 3 . h1' parsed_2mh6 1 170 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1 170 1 2 . . . . . . . . A 5 . h2' parsed_2mh6 1 171 1 1 . . . . . . . . A 6 . h5 parsed_2mh6 1 171 1 2 . . . . . . . . A 5 . h2'' parsed_2mh6 1 172 1 1 . . . . . . . . A 7 . h5 parsed_2mh6 1 172 1 2 . . . . . . . . A 6 . h2' parsed_2mh6 1 173 1 1 . . . . . . . . A 7 . h5 parsed_2mh6 1 173 1 2 . . . . . . . . A 6 . h2'' parsed_2mh6 1 174 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1 174 1 2 . . . . . . . . B 13 . h2' parsed_2mh6 1 175 1 1 . . . . . . . . B 14 . h5 parsed_2mh6 1 175 1 2 . . . . . . . . B 13 . h2'' parsed_2mh6 1 176 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1 176 1 2 . . . . . . . . A 3 . h1' parsed_2mh6 1 177 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1 177 1 2 . . . . . . . . A 3 . h2' parsed_2mh6 1 178 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1 178 1 2 . . . . . . . . A 3 . h2'' parsed_2mh6 1 179 1 1 . . . . . . . . A 4 . h7# parsed_2mh6 1 179 1 2 . . . . . . . . A 3 . h8 parsed_2mh6 1 180 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1 180 1 2 . . . . . . . . A 4 . h1' parsed_2mh6 1 181 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1 181 1 2 . . . . . . . . A 4 . h2'' parsed_2mh6 1 182 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1 182 1 2 . . . . . . . . A 4 . h6 parsed_2mh6 1 183 1 1 . . . . . . . . A 5 . h7# parsed_2mh6 1 183 1 2 . . . . . . . . A 6 . h5 parsed_2mh6 1 184 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1 184 1 2 . . . . . . . . B 14 . h1' parsed_2mh6 1 185 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1 185 1 2 . . . . . . . . B 14 . h2'' parsed_2mh6 1 186 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1 186 1 2 . . . . . . . . B 14 . h6 parsed_2mh6 1 187 1 1 . . . . . . . . B 15 . h7# parsed_2mh6 1 187 1 2 . . . . . . . . B 14 . h5 parsed_2mh6 1 188 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1 188 1 2 . . . . . . . . B 12 . h2 parsed_2mh6 1 189 1 1 . . . . . . . . A 4 . h1# parsed_2mh6 1 189 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1 190 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1 190 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1 191 1 1 . . . . . . . . A 4 . h1# parsed_2mh6 1 191 1 2 . . . . . . . . A 3 . h1 parsed_2mh6 1 192 1 1 . . . . . . . . B 13 . h1# parsed_2mh6 1 192 1 2 . . . . . . . . A 5 . h3 parsed_2mh6 1 193 1 1 . . . . . . . . A 3 . h1 parsed_2mh6 1 193 1 2 . . . . . . . . A 2 . h2 parsed_2mh6 1 194 1 1 . . . . . . . . A 3 . h1 parsed_2mh6 1 194 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1 195 1 1 . . . . . . . . A 5 . h3 parsed_2mh6 1 195 1 2 . . . . . . . . B 13 . h2 parsed_2mh6 1 196 1 1 . . . . . . . . B 11 . h1 parsed_2mh6 1 196 1 2 . . . . . . . . B 12 . h2 parsed_2mh6 1 197 1 1 . . . . . . . . B 10 . h1 parsed_2mh6 1 197 1 2 . . . . . . . . A 8 . h2 parsed_2mh6 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1 2 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 3 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1 4 1 . . . . . 3.0 2.7 3.3 parsed_2mh6 1 5 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1 6 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1 7 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1 8 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1 9 1 . . . . . 3.1 2.8 3.4 parsed_2mh6 1 10 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 11 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 12 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 13 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 14 1 . . . . . 2.8 2.5 3.1 parsed_2mh6 1 15 1 . . . . . 2.9 2.6 3.2 parsed_2mh6 1 16 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1 17 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 18 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 19 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 20 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 21 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 22 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 23 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1 24 1 . . . . . 2.5 2.3 2.7 parsed_2mh6 1 25 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1 26 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 27 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 28 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 29 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1 30 1 . . . . . 2.3 2.1 2.5 parsed_2mh6 1 31 1 . . . . . 2.4 2.2 2.6 parsed_2mh6 1 32 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 33 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 34 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1 35 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 36 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1 37 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 38 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 39 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 40 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 41 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 42 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 43 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 44 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 45 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 46 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 47 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 48 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 49 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 50 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 51 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 52 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 53 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 54 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 55 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 56 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 57 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 58 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 59 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 60 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 61 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 62 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 63 1 . . . . . 3.5 3.2 4.0 parsed_2mh6 1 64 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1 65 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 66 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1 67 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1 68 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 69 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 70 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 71 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1 72 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1 73 1 . . . . . 2.4 2.2 2.7 parsed_2mh6 1 74 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 75 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 76 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 77 1 . . . . . 2.5 2.3 2.8 parsed_2mh6 1 78 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 79 1 . . . . . 2.3 2.1 2.6 parsed_2mh6 1 80 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 81 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 82 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 83 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 84 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 85 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 86 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1 87 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 88 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 89 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 90 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1 91 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 92 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 93 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 94 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 95 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1 96 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1 97 1 . . . . . 3.2 2.7 3.9 parsed_2mh6 1 98 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 99 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 100 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 101 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 102 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 103 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1 104 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 105 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1 106 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 107 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 108 1 . . . . . 3.1 2.6 3.8 parsed_2mh6 1 109 1 . . . . . 3.3 2.8 4.0 parsed_2mh6 1 110 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 111 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 112 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 113 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 114 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 115 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 116 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 117 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 118 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 119 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1 120 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 121 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 122 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 123 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 124 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 125 1 . . . . . 3.1 2.8 3.6 parsed_2mh6 1 126 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 127 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1 128 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 129 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 130 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 131 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 132 1 . . . . . 3.0 2.7 3.5 parsed_2mh6 1 133 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 134 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 135 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 136 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 137 1 . . . . . 3.0 2.5 3.7 parsed_2mh6 1 138 1 . . . . . 2.8 2.5 3.3 parsed_2mh6 1 139 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 140 1 . . . . . 3.4 3.1 3.9 parsed_2mh6 1 141 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 142 1 . . . . . 3.3 3.0 3.8 parsed_2mh6 1 143 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 144 1 . . . . . 2.7 2.4 3.2 parsed_2mh6 1 145 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 146 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 147 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 148 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 149 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 150 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 151 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 152 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1 153 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 154 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 155 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 156 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 157 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 158 1 . . . . . 5.0 4.5 6.0 parsed_2mh6 1 159 1 . . . . . 5.0 4.5 6.0 parsed_2mh6 1 160 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 161 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 162 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 163 1 . . . . . 3.9 3.4 4.6 parsed_2mh6 1 164 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1 165 1 . . . . . 3.6 3.1 4.3 parsed_2mh6 1 166 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 167 1 . . . . . 4.1 3.4 5.1 parsed_2mh6 1 168 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 169 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 170 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 171 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 172 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 173 1 . . . . . 3.7 3.2 4.4 parsed_2mh6 1 174 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 175 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 176 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 177 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 178 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 179 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 180 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1 181 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 182 1 . . . . . 3.2 2.9 3.7 parsed_2mh6 1 183 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 184 1 . . . . . 4.2 3.5 5.2 parsed_2mh6 1 185 1 . . . . . 4.0 3.5 4.7 parsed_2mh6 1 186 1 . . . . . 3.4 2.9 4.1 parsed_2mh6 1 187 1 . . . . . 3.5 3.0 4.2 parsed_2mh6 1 188 1 . . . . . 3.8 3.3 4.5 parsed_2mh6 1 189 1 . . . . . 2.9 2.6 3.4 parsed_2mh6 1 190 1 . . . . . 2.3 2.0 2.8 parsed_2mh6 1 191 1 . . . . . 2.9 2.4 3.6 parsed_2mh6 1 192 1 . . . . . 3.2 2.7 3.9 parsed_2mh6 1 193 1 . . . . . 4.3 3.6 5.3 parsed_2mh6 1 194 1 . . . . . 3.9 3.2 4.9 parsed_2mh6 1 195 1 . . . . . 3.7 3.0 4.7 parsed_2mh6 1 196 1 . . . . . 3.5 2.8 4.5 parsed_2mh6 1 197 1 . . . . . 3.7 3.0 4.7 parsed_2mh6 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 ; ------------------------------------------------------------------------------------------ XL-IT cross-linked DNA duplex (constraints for CNS) ------------------------------------------------------------------------------------------ NOE DISTANCE CONSTRAINTS intrasugar H1'-H2' ; 1 1 10 9 parsed_2mh6 1 2 H1'-H2" 29 1 29 10 parsed_2mh6 1 3 H1'-H4' 49 1 49 10 parsed_2mh6 1 4 ; intraresidual base-to-sugar H1'-H6/H8 ; 71 1 74 12 parsed_2mh6 1 5 H2'-H6/H8 94 1 94 12 parsed_2mh6 1 6 H2''-H6/H8 115 1 115 13 parsed_2mh6 1 7 H3'-H6/H8 133 1 133 12 parsed_2mh6 1 8 ; sequential H1'-H6/H8 ; 153 1 155 12 parsed_2mh6 1 9 H2'-H6/H8 172 1 172 12 parsed_2mh6 1 10 H2''-H6/H8 187 1 187 13 parsed_2mh6 1 11 H3'-H6/H8 204 1 204 12 parsed_2mh6 1 12 other 219 1 219 7 parsed_2mh6 1 13 linker 271 1 271 8 parsed_2mh6 1 14 "with imino protons" 279 1 279 20 parsed_2mh6 1 15 ------------------------------------------------------------------------------------------ 291 1 291 92 parsed_2mh6 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2mh6 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 2 . p A 2 . o5' A 2 . c5' A 2 . c4' parsed_2mh6 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 3 . p A 3 . o5' A 3 . c5' A 3 . c4' parsed_2mh6 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 4 . p A 4 . o5' A 4 . c5' A 4 . c4' parsed_2mh6 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 5 . p A 5 . o5' A 5 . c5' A 5 . c4' parsed_2mh6 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 6 . p A 6 . o5' A 6 . c5' A 6 . c4' parsed_2mh6 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 7 . p A 7 . o5' A 7 . c5' A 7 . c4' parsed_2mh6 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 8 . p A 8 . o5' A 8 . c5' A 8 . c4' parsed_2mh6 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 10 . p B 10 . o5' B 10 . c5' B 10 . c4' parsed_2mh6 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 11 . p B 11 . o5' B 11 . c5' B 11 . c4' parsed_2mh6 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 12 . p B 12 . o5' B 12 . c5' B 12 . c4' parsed_2mh6 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 13 . p B 13 . o5' B 13 . c5' B 13 . c4' parsed_2mh6 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 14 . p B 14 . o5' B 14 . c5' B 14 . c4' parsed_2mh6 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 15 . p B 15 . o5' B 15 . c5' B 15 . c4' parsed_2mh6 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 16 . p B 16 . o5' B 16 . c5' B 16 . c4' parsed_2mh6 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 1 . o5' A 1 . c5' A 1 . c4' A 1 . c3' parsed_2mh6 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 2 . o5' A 2 . c5' A 2 . c4' A 2 . c3' parsed_2mh6 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 3 . o5' A 3 . c5' A 3 . c4' A 3 . c3' parsed_2mh6 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 4 . o5' A 4 . c5' A 4 . c4' A 4 . c3' parsed_2mh6 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 5 . o5' A 5 . c5' A 5 . c4' A 5 . c3' parsed_2mh6 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 6 . o5' A 6 . c5' A 6 . c4' A 6 . c3' parsed_2mh6 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 7 . o5' A 7 . c5' A 7 . c4' A 7 . c3' parsed_2mh6 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 8 . o5' A 8 . c5' A 8 . c4' A 8 . c3' parsed_2mh6 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 9 . o5' B 9 . c5' B 9 . c4' B 9 . c3' parsed_2mh6 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 10 . o5' B 10 . c5' B 10 . c4' B 10 . c3' parsed_2mh6 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 11 . o5' B 11 . c5' B 11 . c4' B 11 . c3' parsed_2mh6 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 12 . o5' B 12 . c5' B 12 . c4' B 12 . c3' parsed_2mh6 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 13 . o5' B 13 . c5' B 13 . c4' B 13 . c3' parsed_2mh6 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 380.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 15 . o5' B 15 . c5' B 15 . c4' B 15 . c3' parsed_2mh6 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 16 . o5' B 16 . c5' B 16 . c4' B 16 . c3' parsed_2mh6 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 1 . c4' A 1 . c3' A 1 . o3' A 2 . p parsed_2mh6 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 2 . c4' A 2 . c3' A 2 . o3' A 3 . p parsed_2mh6 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 3 . c4' A 3 . c3' A 3 . o3' A 4 . p parsed_2mh6 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 4 . c4' A 4 . c3' A 4 . o3' A 5 . p parsed_2mh6 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 5 . c4' A 5 . c3' A 5 . o3' A 6 . p parsed_2mh6 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 6 . c4' A 6 . c3' A 6 . o3' A 7 . p parsed_2mh6 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 7 . c4' A 7 . c3' A 7 . o3' A 8 . p parsed_2mh6 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 9 . c4' B 9 . c3' B 9 . o3' B 10 . p parsed_2mh6 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 10 . c4' B 10 . c3' B 10 . o3' B 11 . p parsed_2mh6 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 11 . c4' B 11 . c3' B 11 . o3' B 12 . p parsed_2mh6 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 12 . c4' B 12 . c3' B 12 . o3' B 13 . p parsed_2mh6 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 13 . c4' B 13 . c3' B 13 . o3' B 14 . p parsed_2mh6 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 14 . c4' B 14 . c3' B 14 . o3' B 15 . p parsed_2mh6 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 15 . c4' B 15 . c3' B 15 . o3' B 16 . p parsed_2mh6 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 1 . c4' A 1 . o4' A 1 . c1' A 1 . c2' parsed_2mh6 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 2 . c4' A 2 . o4' A 2 . c1' A 2 . c2' parsed_2mh6 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 3 . c4' A 3 . o4' A 3 . c1' A 3 . c2' parsed_2mh6 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 4 . c4' A 4 . o4' A 4 . c1' A 4 . c2' parsed_2mh6 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 5 . c4' A 5 . o4' A 5 . c1' A 5 . c2' parsed_2mh6 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 6 . c4' A 6 . o4' A 6 . c1' A 6 . c2' parsed_2mh6 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 7 . c4' A 7 . o4' A 7 . c1' A 7 . c2' parsed_2mh6 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 8 . c4' A 8 . o4' A 8 . c1' A 8 . c2' parsed_2mh6 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 9 . c4' B 9 . o4' B 9 . c1' B 9 . c2' parsed_2mh6 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 10 . c4' B 10 . o4' B 10 . c1' B 10 . c2' parsed_2mh6 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 11 . c4' B 11 . o4' B 11 . c1' B 11 . c2' parsed_2mh6 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 12 . c4' B 12 . o4' B 12 . c1' B 12 . c2' parsed_2mh6 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 13 . c4' B 13 . o4' B 13 . c1' B 13 . c2' parsed_2mh6 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 14 . c4' B 14 . o4' B 14 . c1' B 14 . c2' parsed_2mh6 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 15 . c4' B 15 . o4' B 15 . c1' B 15 . c2' parsed_2mh6 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 16 . c4' B 16 . o4' B 16 . c1' B 16 . c2' parsed_2mh6 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 1 . o4' A 1 . c1' A 1 . c2' A 1 . c3' parsed_2mh6 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 2 . o4' A 2 . c1' A 2 . c2' A 2 . c3' parsed_2mh6 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 3 . o4' A 3 . c1' A 3 . c2' A 3 . c3' parsed_2mh6 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 4 . o4' A 4 . c1' A 4 . c2' A 4 . c3' parsed_2mh6 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 5 . o4' A 5 . c1' A 5 . c2' A 5 . c3' parsed_2mh6 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 6 . o4' A 6 . c1' A 6 . c2' A 6 . c3' parsed_2mh6 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 7 . o4' A 7 . c1' A 7 . c2' A 7 . c3' parsed_2mh6 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 8 . o4' A 8 . c1' A 8 . c2' A 8 . c3' parsed_2mh6 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 9 . o4' B 9 . c1' B 9 . c2' B 9 . c3' parsed_2mh6 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 10 . o4' B 10 . c1' B 10 . c2' B 10 . c3' parsed_2mh6 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 11 . o4' B 11 . c1' B 11 . c2' B 11 . c3' parsed_2mh6 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 12 . o4' B 12 . c1' B 12 . c2' B 12 . c3' parsed_2mh6 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 13 . o4' B 13 . c1' B 13 . c2' B 13 . c3' parsed_2mh6 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 14 . o4' B 14 . c1' B 14 . c2' B 14 . c3' parsed_2mh6 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 15 . o4' B 15 . c1' B 15 . c2' B 15 . c3' parsed_2mh6 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 16 . o4' B 16 . c1' B 16 . c2' B 16 . c3' parsed_2mh6 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 1 . c1' A 1 . c2' A 1 . c3' A 1 . c4' parsed_2mh6 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 2 . c1' A 2 . c2' A 2 . c3' A 2 . c4' parsed_2mh6 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 3 . c1' A 3 . c2' A 3 . c3' A 3 . c4' parsed_2mh6 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 4 . c1' A 4 . c2' A 4 . c3' A 4 . c4' parsed_2mh6 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 5 . c1' A 5 . c2' A 5 . c3' A 5 . c4' parsed_2mh6 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 6 . c1' A 6 . c2' A 6 . c3' A 6 . c4' parsed_2mh6 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 7 . c1' A 7 . c2' A 7 . c3' A 7 . c4' parsed_2mh6 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 8 . c1' A 8 . c2' A 8 . c3' A 8 . c4' parsed_2mh6 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 9 . c1' B 9 . c2' B 9 . c3' B 9 . c4' parsed_2mh6 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 10 . c1' B 10 . c2' B 10 . c3' B 10 . c4' parsed_2mh6 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 11 . c1' B 11 . c2' B 11 . c3' B 11 . c4' parsed_2mh6 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 12 . c1' B 12 . c2' B 12 . c3' B 12 . c4' parsed_2mh6 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 13 . c1' B 13 . c2' B 13 . c3' B 13 . c4' parsed_2mh6 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 14 . c1' B 14 . c2' B 14 . c3' B 14 . c4' parsed_2mh6 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 15 . c1' B 15 . c2' B 15 . c3' B 15 . c4' parsed_2mh6 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 16 . c1' B 16 . c2' B 16 . c3' B 16 . c4' parsed_2mh6 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 1 . c2' A 1 . c3' A 1 . c4' A 1 . o4' parsed_2mh6 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 2 . c2' A 2 . c3' A 2 . c4' A 2 . o4' parsed_2mh6 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 3 . c2' A 3 . c3' A 3 . c4' A 3 . o4' parsed_2mh6 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 4 . c2' A 4 . c3' A 4 . c4' A 4 . o4' parsed_2mh6 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 5 . c2' A 5 . c3' A 5 . c4' A 5 . o4' parsed_2mh6 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 6 . c2' A 6 . c3' A 6 . c4' A 6 . o4' parsed_2mh6 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 7 . c2' A 7 . c3' A 7 . c4' A 7 . o4' parsed_2mh6 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 8 . c2' A 8 . c3' A 8 . c4' A 8 . o4' parsed_2mh6 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 9 . c2' B 9 . c3' B 9 . c4' B 9 . o4' parsed_2mh6 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 10 . c2' B 10 . c3' B 10 . c4' B 10 . o4' parsed_2mh6 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 11 . c2' B 11 . c3' B 11 . c4' B 11 . o4' parsed_2mh6 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 12 . c2' B 12 . c3' B 12 . c4' B 12 . o4' parsed_2mh6 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 13 . c2' B 13 . c3' B 13 . c4' B 13 . o4' parsed_2mh6 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 14 . c2' B 14 . c3' B 14 . c4' B 14 . o4' parsed_2mh6 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 15 . c2' B 15 . c3' B 15 . c4' B 15 . o4' parsed_2mh6 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 16 . c2' B 16 . c3' B 16 . c4' B 16 . o4' parsed_2mh6 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 1 . c3' A 1 . c4' A 1 . o4' A 1 . c1' parsed_2mh6 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 2 . c3' A 2 . c4' A 2 . o4' A 2 . c1' parsed_2mh6 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 3 . c3' A 3 . c4' A 3 . o4' A 3 . c1' parsed_2mh6 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 4 . c3' A 4 . c4' A 4 . o4' A 4 . c1' parsed_2mh6 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 5 . c3' A 5 . c4' A 5 . o4' A 5 . c1' parsed_2mh6 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 6 . c3' A 6 . c4' A 6 . o4' A 6 . c1' parsed_2mh6 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 7 . c3' A 7 . c4' A 7 . o4' A 7 . c1' parsed_2mh6 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 8 . c3' A 8 . c4' A 8 . o4' A 8 . c1' parsed_2mh6 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 9 . c3' B 9 . c4' B 9 . o4' B 9 . c1' parsed_2mh6 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 10 . c3' B 10 . c4' B 10 . o4' B 10 . c1' parsed_2mh6 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 11 . c3' B 11 . c4' B 11 . o4' B 11 . c1' parsed_2mh6 1 121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 12 . c3' B 12 . c4' B 12 . o4' B 12 . c1' parsed_2mh6 1 122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 13 . c3' B 13 . c4' B 13 . o4' B 13 . c1' parsed_2mh6 1 123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 14 . c3' B 14 . c4' B 14 . o4' B 14 . c1' parsed_2mh6 1 124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 15 . c3' B 15 . c4' B 15 . o4' B 15 . c1' parsed_2mh6 1 125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 16 . c3' B 16 . c4' B 16 . o4' B 16 . c1' parsed_2mh6 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 ; TORSION ANGLE CONSTRAINTS torsion restraints on beta ; 1 1 3 28 parsed_2mh6 1 2 "torsion constraints on gamma" 37 1 37 30 parsed_2mh6 1 3 "torsion restraints on epsilon" 78 1 78 31 parsed_2mh6 1 4 ; constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 126-198 deg. calculated from this formula: vj = vmax*cos(P+(j-2)*144), and vmax=37 v0 ; 113 1 117 4 parsed_2mh6 1 5 v1 151 1 151 4 parsed_2mh6 1 6 v2 185 1 185 4 parsed_2mh6 1 7 v3 219 1 219 4 parsed_2mh6 1 8 v4 253 1 253 4 parsed_2mh6 1 9 ----------------------------------------------------------------------------------------------- 287 1 287 97 parsed_2mh6 1 stop_ save_
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