NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
36716 | 1o78 | cing | recoord | 2-parsed | STAR | entry | full | 229 |
data_1o78_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1o78 _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_1o78 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1o78 _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 1o78 "Master copy" parsed_1o78 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1o78 _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 1o78.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o78 1 1 1o78.mr . . XPLOR/CNS 2 distance NOE simple 193 parsed_1o78 1 1 1o78.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 36 parsed_1o78 1 1 1o78.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o78 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_1o78 _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 CARRIER PROTEIN 24-OCT-02 1O78 *TITLE BIOTIN CARBOXYL CARRIER DOMAIN OF TRANSCARBOXYLASE (1.3S) *TITLE 2 [10-48] DELETION MUTANT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BIOTIN CARBOXYL CARRIER PROTEIN OF *COMPND 3 METHYLMALONYL-COA CARBOXYL-TRANSFERASE; *COMPND 4 SYNONYM: TRANSCARBOXYLASE, 1.3S SUBUNIT; *COMPND 5 CHAIN: A; *COMPND 6 ENGINEERED: YES; *COMPND 7 OTHER_DETAILS: RESIDUES 10-48 DELETION MUTANT; *COMPND 8 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII *SOURCE 3 SHERMANII; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PTAC1.3DELTA10-48, PCY216 *KEYWDS TRANSCARBOXYLASE,CARBOXYL CARRIER, TRANSFERASE *EXPDTA NMR, 20 STRUCTURES *AUTHOR M.M.JANK,J.D.SADOWSKY,C.PEIKERT,S.BERGER *REVDAT 1 21-NOV-02 1O78 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1o78 _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_1o78 1 2 1 . . . parsed_1o78 1 3 1 . . . parsed_1o78 1 4 1 . . . parsed_1o78 1 5 1 . . . parsed_1o78 1 6 1 . . . parsed_1o78 1 7 1 . . . parsed_1o78 1 8 1 . . . parsed_1o78 1 9 1 . . . parsed_1o78 1 10 1 . . . parsed_1o78 1 11 1 . . . parsed_1o78 1 12 1 . . . parsed_1o78 1 13 1 . . . parsed_1o78 1 14 1 . . . parsed_1o78 1 15 1 . . . parsed_1o78 1 16 1 . . . parsed_1o78 1 17 1 . . . parsed_1o78 1 18 1 . . . parsed_1o78 1 19 1 . . . parsed_1o78 1 20 1 . . . parsed_1o78 1 21 1 . . . parsed_1o78 1 22 1 . . . parsed_1o78 1 23 1 . . . parsed_1o78 1 24 1 . . . parsed_1o78 1 25 1 . . . parsed_1o78 1 26 1 . . . parsed_1o78 1 27 1 . . . parsed_1o78 1 28 1 . . . parsed_1o78 1 29 1 . . . parsed_1o78 1 30 1 . . . parsed_1o78 1 31 1 . . . parsed_1o78 1 32 1 . . . parsed_1o78 1 33 1 . . . parsed_1o78 1 34 1 . . . parsed_1o78 1 35 1 . . . parsed_1o78 1 36 1 . . . parsed_1o78 1 37 1 . . . parsed_1o78 1 38 1 . . . parsed_1o78 1 39 1 . . . parsed_1o78 1 40 1 . . . parsed_1o78 1 41 1 . . . parsed_1o78 1 42 1 . . . parsed_1o78 1 43 1 . . . parsed_1o78 1 44 1 . . . parsed_1o78 1 45 1 . . . parsed_1o78 1 46 1 . . . parsed_1o78 1 47 1 . . . parsed_1o78 1 48 1 . . . parsed_1o78 1 49 1 . . . parsed_1o78 1 50 1 . . . parsed_1o78 1 51 1 . . . parsed_1o78 1 52 1 . . . parsed_1o78 1 53 1 . . . parsed_1o78 1 54 1 . . . parsed_1o78 1 55 1 . . . parsed_1o78 1 56 1 . . . parsed_1o78 1 57 1 . . . parsed_1o78 1 58 1 . . . parsed_1o78 1 59 1 . . . parsed_1o78 1 60 1 . . . parsed_1o78 1 61 1 . . . parsed_1o78 1 62 1 . . . parsed_1o78 1 63 1 . . . parsed_1o78 1 64 1 . . . parsed_1o78 1 65 1 . . . parsed_1o78 1 66 1 . . . parsed_1o78 1 67 1 . . . parsed_1o78 1 68 1 . . . parsed_1o78 1 69 1 . . . parsed_1o78 1 70 1 . . . parsed_1o78 1 71 1 . . . parsed_1o78 1 72 1 . . . parsed_1o78 1 73 1 . . . parsed_1o78 1 74 1 . . . parsed_1o78 1 75 1 . . . parsed_1o78 1 76 1 . . . parsed_1o78 1 77 1 . . . parsed_1o78 1 78 1 . . . parsed_1o78 1 79 1 . . . parsed_1o78 1 80 1 . . . parsed_1o78 1 81 1 . . . parsed_1o78 1 82 1 . . . parsed_1o78 1 83 1 . . . parsed_1o78 1 84 1 . . . parsed_1o78 1 85 1 . . . parsed_1o78 1 86 1 . . . parsed_1o78 1 87 1 . . . parsed_1o78 1 88 1 . . . parsed_1o78 1 89 1 . . . parsed_1o78 1 90 1 . . . parsed_1o78 1 91 1 . . . parsed_1o78 1 92 1 . . . parsed_1o78 1 93 1 . . . parsed_1o78 1 94 1 . . . parsed_1o78 1 95 1 . . . parsed_1o78 1 96 1 . . . parsed_1o78 1 97 1 . . . parsed_1o78 1 98 1 . . . parsed_1o78 1 99 1 . . . parsed_1o78 1 100 1 . . . parsed_1o78 1 101 1 . . . parsed_1o78 1 102 1 . . . parsed_1o78 1 103 1 . . . parsed_1o78 1 104 1 . . . parsed_1o78 1 105 1 . . . parsed_1o78 1 106 1 . . . parsed_1o78 1 107 1 . . . parsed_1o78 1 108 1 . . . parsed_1o78 1 109 1 . . . parsed_1o78 1 110 1 . . . parsed_1o78 1 111 1 . . . parsed_1o78 1 112 1 . . . parsed_1o78 1 113 1 . . . parsed_1o78 1 114 1 . . . parsed_1o78 1 115 1 . . . parsed_1o78 1 116 1 . . . parsed_1o78 1 117 1 . . . parsed_1o78 1 118 1 . . . parsed_1o78 1 119 1 . . . parsed_1o78 1 120 1 . . . parsed_1o78 1 121 1 . . . parsed_1o78 1 122 1 . . . parsed_1o78 1 123 1 . . . parsed_1o78 1 124 1 . . . parsed_1o78 1 125 1 . . . parsed_1o78 1 126 1 . . . parsed_1o78 1 127 1 . . . parsed_1o78 1 128 1 . . . parsed_1o78 1 129 1 . . . parsed_1o78 1 130 1 . . . parsed_1o78 1 131 1 . . . parsed_1o78 1 132 1 . . . parsed_1o78 1 133 1 . . . parsed_1o78 1 134 1 . . . parsed_1o78 1 135 1 . . . parsed_1o78 1 136 1 . . . parsed_1o78 1 137 1 . . . parsed_1o78 1 138 1 . . . parsed_1o78 1 139 1 . . . parsed_1o78 1 140 1 . . . parsed_1o78 1 141 1 . . . parsed_1o78 1 142 1 . . . parsed_1o78 1 143 1 . . . parsed_1o78 1 144 1 . . . parsed_1o78 1 145 1 . . . parsed_1o78 1 146 1 . . . parsed_1o78 1 147 1 . . . parsed_1o78 1 148 1 . . . parsed_1o78 1 149 1 . . . parsed_1o78 1 150 1 . . . parsed_1o78 1 151 1 . . . parsed_1o78 1 152 1 . . . parsed_1o78 1 153 1 . . . parsed_1o78 1 154 1 . . . parsed_1o78 1 155 1 . . . parsed_1o78 1 156 1 . . . parsed_1o78 1 157 1 . . . parsed_1o78 1 158 1 . . . parsed_1o78 1 159 1 . . . parsed_1o78 1 160 1 . . . parsed_1o78 1 161 1 . . . parsed_1o78 1 162 1 . . . parsed_1o78 1 163 1 . . . parsed_1o78 1 164 1 . . . parsed_1o78 1 165 1 . . . parsed_1o78 1 166 1 . . . parsed_1o78 1 167 1 . . . parsed_1o78 1 168 1 . . . parsed_1o78 1 169 1 . . . parsed_1o78 1 170 1 . . . parsed_1o78 1 171 1 . . . parsed_1o78 1 172 1 . . . parsed_1o78 1 173 1 . . . parsed_1o78 1 174 1 . . . parsed_1o78 1 175 1 . . . parsed_1o78 1 176 1 . . . parsed_1o78 1 177 1 . . . parsed_1o78 1 178 1 . . . parsed_1o78 1 179 1 . . . parsed_1o78 1 180 1 . . . parsed_1o78 1 181 1 . . . parsed_1o78 1 182 1 . . . parsed_1o78 1 183 1 . . . parsed_1o78 1 184 1 . . . parsed_1o78 1 185 1 . . . parsed_1o78 1 186 1 . . . parsed_1o78 1 187 1 . . . parsed_1o78 1 188 1 . . . parsed_1o78 1 189 1 . . . parsed_1o78 1 190 1 . . . parsed_1o78 1 191 1 . . . parsed_1o78 1 192 1 . . . parsed_1o78 1 193 1 . . . parsed_1o78 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 . . . . . . . . . 12 . HN parsed_1o78 1 1 1 2 . . . . . . . . . 78 . HA parsed_1o78 1 2 1 1 . . . . . . . . . 13 . HN parsed_1o78 1 2 1 2 . . . . . . . . . 79 . HN parsed_1o78 1 3 1 1 . . . . . . . . . 14 . HN parsed_1o78 1 3 1 2 . . . . . . . . . 17 . HB1 parsed_1o78 1 4 1 1 . . . . . . . . . 14 . HN parsed_1o78 1 4 1 2 . . . . . . . . . 17 . HB2 parsed_1o78 1 5 1 1 . . . . . . . . . 14 . HN parsed_1o78 1 5 1 2 . . . . . . . . . 17 . HG2 parsed_1o78 1 6 1 1 . . . . . . . . . 17 . HN parsed_1o78 1 6 1 2 . . . . . . . . . 82 . HG1 parsed_1o78 1 7 1 1 . . . . . . . . . 17 . HN parsed_1o78 1 7 1 2 . . . . . . . . . 15 . HN parsed_1o78 1 8 1 1 . . . . . . . . . 18 . HN parsed_1o78 1 8 1 2 . . . . . . . . . 80 . HN parsed_1o78 1 9 1 1 . . . . . . . . . 18 . HN parsed_1o78 1 9 1 2 . . . . . . . . . 81 . HN parsed_1o78 1 10 1 1 . . . . . . . . . 20 . HN parsed_1o78 1 10 1 2 . . . . . . . . . 77 . HN parsed_1o78 1 11 1 1 . . . . . . . . . 20 . HN parsed_1o78 1 11 1 2 . . . . . . . . . 78 . HN parsed_1o78 1 12 1 1 . . . . . . . . . 20 . HN parsed_1o78 1 12 1 2 . . . . . . . . . 80 . HD# parsed_1o78 1 13 1 1 . . . . . . . . . 20 . HN parsed_1o78 1 13 1 2 . . . . . . . . . 80 . HG parsed_1o78 1 14 1 1 . . . . . . . . . 22 . HN parsed_1o78 1 14 1 2 . . . . . . . . . 76 . HA2 parsed_1o78 1 15 1 1 . . . . . . . . . 22 . HN parsed_1o78 1 15 1 2 . . . . . . . . . 77 . HN parsed_1o78 1 16 1 1 . . . . . . . . . 23 . HN parsed_1o78 1 16 1 2 . . . . . . . . . 76 . HA1 parsed_1o78 1 17 1 1 . . . . . . . . . 23 . HN parsed_1o78 1 17 1 2 . . . . . . . . . 76 . HA2 parsed_1o78 1 18 1 1 . . . . . . . . . 24 . HN parsed_1o78 1 18 1 2 . . . . . . . . . 74 . HG# parsed_1o78 1 19 1 1 . . . . . . . . . 24 . HN parsed_1o78 1 19 1 2 . . . . . . . . . 74 . HN parsed_1o78 1 20 1 1 . . . . . . . . . 24 . HN parsed_1o78 1 20 1 2 . . . . . . . . . 75 . HA parsed_1o78 1 21 1 1 . . . . . . . . . 24 . HN parsed_1o78 1 21 1 2 . . . . . . . . . 76 . HN parsed_1o78 1 22 1 1 . . . . . . . . . 25 . HN parsed_1o78 1 22 1 2 . . . . . . . . . 46 . HA parsed_1o78 1 23 1 1 . . . . . . . . . 25 . HN parsed_1o78 1 23 1 2 . . . . . . . . . 47 . HB1 parsed_1o78 1 24 1 1 . . . . . . . . . 25 . HN parsed_1o78 1 24 1 2 . . . . . . . . . 47 . HN parsed_1o78 1 25 1 1 . . . . . . . . . 25 . HN parsed_1o78 1 25 1 2 . . . . . . . . . 48 . HB* parsed_1o78 1 26 1 1 . . . . . . . . . 25 . HN parsed_1o78 1 26 1 2 . . . . . . . . . 46 . HD# parsed_1o78 1 27 1 1 . . . . . . . . . 26 . HN parsed_1o78 1 27 1 2 . . . . . . . . . 73 . HA parsed_1o78 1 28 1 1 . . . . . . . . . 27 . HN parsed_1o78 1 28 1 2 . . . . . . . . . 45 . HB parsed_1o78 1 29 1 1 . . . . . . . . . 27 . HN parsed_1o78 1 29 1 2 . . . . . . . . . 46 . HA parsed_1o78 1 30 1 1 . . . . . . . . . 27 . HN parsed_1o78 1 30 1 2 . . . . . . . . . 47 . HN parsed_1o78 1 31 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 31 1 2 . . . . . . . . . 26 . HG1* parsed_1o78 1 32 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 32 1 2 . . . . . . . . . 45 . HB parsed_1o78 1 33 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 33 1 2 . . . . . . . . . 45 . HN parsed_1o78 1 34 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 34 1 2 . . . . . . . . . 46 . HA parsed_1o78 1 35 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 35 1 2 . . . . . . . . . 70 . HG1 parsed_1o78 1 36 1 1 . . . . . . . . . 28 . HN parsed_1o78 1 36 1 2 . . . . . . . . . 70 . HG2 parsed_1o78 1 37 1 1 . . . . . . . . . 29 . HN parsed_1o78 1 37 1 2 . . . . . . . . . 70 . HG1 parsed_1o78 1 38 1 1 . . . . . . . . . 29 . HN parsed_1o78 1 38 1 2 . . . . . . . . . 70 . HG2 parsed_1o78 1 39 1 1 . . . . . . . . . 30 . HN parsed_1o78 1 39 1 2 . . . . . . . . . 44 . HA parsed_1o78 1 40 1 1 . . . . . . . . . 31 . HN parsed_1o78 1 40 1 2 . . . . . . . . . 29 . HA parsed_1o78 1 41 1 1 . . . . . . . . . 31 . HN parsed_1o78 1 41 1 2 . . . . . . . . . 29 . HG1* parsed_1o78 1 42 1 1 . . . . . . . . . 32 . HN parsed_1o78 1 42 1 2 . . . . . . . . . 35 . HB1 parsed_1o78 1 43 1 1 . . . . . . . . . 32 . HN parsed_1o78 1 43 1 2 . . . . . . . . . 35 . HB2 parsed_1o78 1 44 1 1 . . . . . . . . . 32 . HN parsed_1o78 1 44 1 2 . . . . . . . . . 35 . HN parsed_1o78 1 45 1 1 . . . . . . . . . 34 . HN parsed_1o78 1 45 1 2 . . . . . . . . . 62 . HG2 parsed_1o78 1 46 1 1 . . . . . . . . . 34 . HN parsed_1o78 1 46 1 2 . . . . . . . . . 63 . HB parsed_1o78 1 47 1 1 . . . . . . . . . 34 . HN parsed_1o78 1 47 1 2 . . . . . . . . . 63 . HG1* parsed_1o78 1 48 1 1 . . . . . . . . . 34 . HN parsed_1o78 1 48 1 2 . . . . . . . . . 63 . HG2* parsed_1o78 1 49 1 1 . . . . . . . . . 34 . HN parsed_1o78 1 49 1 2 . . . . . . . . . 64 . HA parsed_1o78 1 50 1 1 . . . . . . . . . 35 . HN parsed_1o78 1 50 1 2 . . . . . . . . . 32 . HN parsed_1o78 1 51 1 1 . . . . . . . . . 35 . HN parsed_1o78 1 51 1 2 . . . . . . . . . 63 . HB parsed_1o78 1 52 1 1 . . . . . . . . . 35 . HN parsed_1o78 1 52 1 2 . . . . . . . . . 63 . HG1* parsed_1o78 1 53 1 1 . . . . . . . . . 35 . HN parsed_1o78 1 53 1 2 . . . . . . . . . 63 . HG2* parsed_1o78 1 54 1 1 . . . . . . . . . 36 . HN parsed_1o78 1 54 1 2 . . . . . . . . . 62 . HA parsed_1o78 1 55 1 1 . . . . . . . . . 37 . HN parsed_1o78 1 55 1 2 . . . . . . . . . 61 . HN parsed_1o78 1 56 1 1 . . . . . . . . . 37 . HN parsed_1o78 1 56 1 2 . . . . . . . . . 62 . HA parsed_1o78 1 57 1 1 . . . . . . . . . 38 . HN parsed_1o78 1 57 1 2 . . . . . . . . . 41 . HB1 parsed_1o78 1 58 1 1 . . . . . . . . . 38 . HN parsed_1o78 1 58 1 2 . . . . . . . . . 41 . HB2 parsed_1o78 1 59 1 1 . . . . . . . . . 38 . HN parsed_1o78 1 59 1 2 . . . . . . . . . 41 . HN parsed_1o78 1 60 1 1 . . . . . . . . . 39 . HN parsed_1o78 1 60 1 2 . . . . . . . . . 59 . HA parsed_1o78 1 61 1 1 . . . . . . . . . 39 . HN parsed_1o78 1 61 1 2 . . . . . . . . . 60 . HA parsed_1o78 1 62 1 1 . . . . . . . . . 39 . HN parsed_1o78 1 62 1 2 . . . . . . . . . 60 . HB1 parsed_1o78 1 63 1 1 . . . . . . . . . 39 . HN parsed_1o78 1 63 1 2 . . . . . . . . . 60 . HB2 parsed_1o78 1 64 1 1 . . . . . . . . . 39 . HN parsed_1o78 1 64 1 2 . . . . . . . . . 60 . HN parsed_1o78 1 65 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 65 1 2 . . . . . . . . . 56 . HB1 parsed_1o78 1 66 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 66 1 2 . . . . . . . . . 56 . HB2 parsed_1o78 1 67 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 67 1 2 . . . . . . . . . 57 . HB* parsed_1o78 1 68 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 68 1 2 . . . . . . . . . 57 . HN parsed_1o78 1 69 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 69 1 2 . . . . . . . . . 59 . HA parsed_1o78 1 70 1 1 . . . . . . . . . 40 . HN parsed_1o78 1 70 1 2 . . . . . . . . . 59 . HN parsed_1o78 1 71 1 1 . . . . . . . . . 41 . HE22 parsed_1o78 1 71 1 2 . . . . . . . . . 37 . HA parsed_1o78 1 72 1 1 . . . . . . . . . 41 . HN parsed_1o78 1 72 1 2 . . . . . . . . . 38 . HB1 parsed_1o78 1 73 1 1 . . . . . . . . . 41 . HN parsed_1o78 1 73 1 2 . . . . . . . . . 57 . HB* parsed_1o78 1 74 1 1 . . . . . . . . . 41 . HN parsed_1o78 1 74 1 2 . . . . . . . . . 57 . HN parsed_1o78 1 75 1 1 . . . . . . . . . 42 . HN parsed_1o78 1 75 1 2 . . . . . . . . . 56 . HA parsed_1o78 1 76 1 1 . . . . . . . . . 43 . HN parsed_1o78 1 76 1 2 . . . . . . . . . 30 . HB2 parsed_1o78 1 77 1 1 . . . . . . . . . 43 . HN parsed_1o78 1 77 1 2 . . . . . . . . . 55 . HA parsed_1o78 1 78 1 1 . . . . . . . . . 43 . HN parsed_1o78 1 78 1 2 . . . . . . . . . 55 . HN parsed_1o78 1 79 1 1 . . . . . . . . . 43 . HN parsed_1o78 1 79 1 2 . . . . . . . . . 56 . HA parsed_1o78 1 80 1 1 . . . . . . . . . 44 . HN parsed_1o78 1 80 1 2 . . . . . . . . . 55 . HG1# parsed_1o78 1 81 1 1 . . . . . . . . . 44 . HN parsed_1o78 1 81 1 2 . . . . . . . . . 42 . HG2* parsed_1o78 1 82 1 1 . . . . . . . . . 44 . HN parsed_1o78 1 82 1 2 . . . . . . . . . 55 . HB parsed_1o78 1 83 1 1 . . . . . . . . . 44 . HN parsed_1o78 1 83 1 2 . . . . . . . . . 55 . HN parsed_1o78 1 84 1 1 . . . . . . . . . 44 . HN parsed_1o78 1 84 1 2 . . . . . . . . . 56 . HA parsed_1o78 1 85 1 1 . . . . . . . . . 45 . HN parsed_1o78 1 85 1 2 . . . . . . . . . 28 . HN parsed_1o78 1 86 1 1 . . . . . . . . . 45 . HN parsed_1o78 1 86 1 2 . . . . . . . . . 29 . HA parsed_1o78 1 87 1 1 . . . . . . . . . 45 . HN parsed_1o78 1 87 1 2 . . . . . . . . . 55 . HG1# parsed_1o78 1 88 1 1 . . . . . . . . . 45 . HN parsed_1o78 1 88 1 2 . . . . . . . . . 30 . HD1* parsed_1o78 1 89 1 1 . . . . . . . . . 45 . HN parsed_1o78 1 89 1 2 . . . . . . . . . 30 . HN parsed_1o78 1 90 1 1 . . . . . . . . . 46 . HN parsed_1o78 1 90 1 2 . . . . . . . . . 53 . HB parsed_1o78 1 91 1 1 . . . . . . . . . 46 . HN parsed_1o78 1 91 1 2 . . . . . . . . . 53 . HG2* parsed_1o78 1 92 1 1 . . . . . . . . . 46 . HN parsed_1o78 1 92 1 2 . . . . . . . . . 53 . HN parsed_1o78 1 93 1 1 . . . . . . . . . 46 . HN parsed_1o78 1 93 1 2 . . . . . . . . . 54 . HA parsed_1o78 1 94 1 1 . . . . . . . . . 47 . HN parsed_1o78 1 94 1 2 . . . . . . . . . 24 . HA1 parsed_1o78 1 95 1 1 . . . . . . . . . 47 . HN parsed_1o78 1 95 1 2 . . . . . . . . . 24 . HA2 parsed_1o78 1 96 1 1 . . . . . . . . . 47 . HN parsed_1o78 1 96 1 2 . . . . . . . . . 25 . HA parsed_1o78 1 97 1 1 . . . . . . . . . 47 . HN parsed_1o78 1 97 1 2 . . . . . . . . . 25 . HB parsed_1o78 1 98 1 1 . . . . . . . . . 47 . HN parsed_1o78 1 98 1 2 . . . . . . . . . 25 . HN parsed_1o78 1 99 1 1 . . . . . . . . . 48 . HN parsed_1o78 1 99 1 2 . . . . . . . . . 51 . HN parsed_1o78 1 100 1 1 . . . . . . . . . 48 . HN parsed_1o78 1 100 1 2 . . . . . . . . . 53 . HN parsed_1o78 1 101 1 1 . . . . . . . . . 49 . HN parsed_1o78 1 101 1 2 . . . . . . . . . 51 . HN parsed_1o78 1 102 1 1 . . . . . . . . . 50 . HN parsed_1o78 1 102 1 2 . . . . . . . . . 48 . HA parsed_1o78 1 103 1 1 . . . . . . . . . 51 . HN parsed_1o78 1 103 1 2 . . . . . . . . . 47 . HA parsed_1o78 1 104 1 1 . . . . . . . . . 51 . HN parsed_1o78 1 104 1 2 . . . . . . . . . 49 . HA parsed_1o78 1 105 1 1 . . . . . . . . . 53 . HN parsed_1o78 1 105 1 2 . . . . . . . . . 45 . HA parsed_1o78 1 106 1 1 . . . . . . . . . 53 . HN parsed_1o78 1 106 1 2 . . . . . . . . . 45 . HG# parsed_1o78 1 107 1 1 . . . . . . . . . 53 . HN parsed_1o78 1 107 1 2 . . . . . . . . . 46 . HB# parsed_1o78 1 108 1 1 . . . . . . . . . 53 . HN parsed_1o78 1 108 1 2 . . . . . . . . . 46 . HN parsed_1o78 1 109 1 1 . . . . . . . . . 55 . HN parsed_1o78 1 109 1 2 . . . . . . . . . 44 . HB2 parsed_1o78 1 110 1 1 . . . . . . . . . 55 . HN parsed_1o78 1 110 1 2 . . . . . . . . . 44 . HN parsed_1o78 1 111 1 1 . . . . . . . . . 55 . HN parsed_1o78 1 111 1 2 . . . . . . . . . 45 . HA parsed_1o78 1 112 1 1 . . . . . . . . . 56 . HN parsed_1o78 1 112 1 2 . . . . . . . . . 42 . HA parsed_1o78 1 113 1 1 . . . . . . . . . 57 . HN parsed_1o78 1 113 1 2 . . . . . . . . . 40 . HA2 parsed_1o78 1 114 1 1 . . . . . . . . . 57 . HN parsed_1o78 1 114 1 2 . . . . . . . . . 41 . HB2 parsed_1o78 1 115 1 1 . . . . . . . . . 57 . HN parsed_1o78 1 115 1 2 . . . . . . . . . 41 . HN parsed_1o78 1 116 1 1 . . . . . . . . . 57 . HN parsed_1o78 1 116 1 2 . . . . . . . . . 42 . HA parsed_1o78 1 117 1 1 . . . . . . . . . 57 . HN parsed_1o78 1 117 1 2 . . . . . . . . . 43 . HG1* parsed_1o78 1 118 1 1 . . . . . . . . . 59 . HN parsed_1o78 1 118 1 2 . . . . . . . . . 39 . HA parsed_1o78 1 119 1 1 . . . . . . . . . 59 . HN parsed_1o78 1 119 1 2 . . . . . . . . . 40 . HN parsed_1o78 1 120 1 1 . . . . . . . . . 59 . HN parsed_1o78 1 120 1 2 . . . . . . . . . 57 . HB* parsed_1o78 1 121 1 1 . . . . . . . . . 59 . HN parsed_1o78 1 121 1 2 . . . . . . . . . 83 . HD* parsed_1o78 1 122 1 1 . . . . . . . . . 60 . HN parsed_1o78 1 122 1 2 . . . . . . . . . 39 . HA parsed_1o78 1 123 1 1 . . . . . . . . . 60 . HN parsed_1o78 1 123 1 2 . . . . . . . . . 39 . HB* parsed_1o78 1 124 1 1 . . . . . . . . . 60 . HN parsed_1o78 1 124 1 2 . . . . . . . . . 39 . HN parsed_1o78 1 125 1 1 . . . . . . . . . 61 . HN parsed_1o78 1 125 1 2 . . . . . . . . . 36 . HG2* parsed_1o78 1 126 1 1 . . . . . . . . . 61 . HN parsed_1o78 1 126 1 2 . . . . . . . . . 37 . HB parsed_1o78 1 127 1 1 . . . . . . . . . 61 . HN parsed_1o78 1 127 1 2 . . . . . . . . . 37 . HG2* parsed_1o78 1 128 1 1 . . . . . . . . . 61 . HN parsed_1o78 1 128 1 2 . . . . . . . . . 37 . HN parsed_1o78 1 129 1 1 . . . . . . . . . 61 . HN parsed_1o78 1 129 1 2 . . . . . . . . . 38 . HA parsed_1o78 1 130 1 1 . . . . . . . . . 63 . HN parsed_1o78 1 130 1 2 . . . . . . . . . 33 . HA parsed_1o78 1 131 1 1 . . . . . . . . . 63 . HN parsed_1o78 1 131 1 2 . . . . . . . . . 35 . HB1 parsed_1o78 1 132 1 1 . . . . . . . . . 63 . HN parsed_1o78 1 132 1 2 . . . . . . . . . 35 . HB2 parsed_1o78 1 133 1 1 . . . . . . . . . 63 . HN parsed_1o78 1 133 1 2 . . . . . . . . . 35 . HN parsed_1o78 1 134 1 1 . . . . . . . . . 63 . HN parsed_1o78 1 134 1 2 . . . . . . . . . 36 . HA parsed_1o78 1 135 1 1 . . . . . . . . . 64 . HN parsed_1o78 1 135 1 2 . . . . . . . . . 82 . HB2 parsed_1o78 1 136 1 1 . . . . . . . . . 64 . HN parsed_1o78 1 136 1 2 . . . . . . . . . 82 . HG1 parsed_1o78 1 137 1 1 . . . . . . . . . 64 . HN parsed_1o78 1 137 1 2 . . . . . . . . . 82 . HN parsed_1o78 1 138 1 1 . . . . . . . . . 64 . HN parsed_1o78 1 138 1 2 . . . . . . . . . 83 . HA parsed_1o78 1 139 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 139 1 2 . . . . . . . . . 63 . HA parsed_1o78 1 140 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 140 1 2 . . . . . . . . . 63 . HG1* parsed_1o78 1 141 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 141 1 2 . . . . . . . . . 63 . HG2* parsed_1o78 1 142 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 142 1 2 . . . . . . . . . 82 . HB1 parsed_1o78 1 143 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 143 1 2 . . . . . . . . . 82 . HN parsed_1o78 1 144 1 1 . . . . . . . . . 65 . HN parsed_1o78 1 144 1 2 . . . . . . . . . 83 . HA parsed_1o78 1 145 1 1 . . . . . . . . . 66 . HN parsed_1o78 1 145 1 2 . . . . . . . . . 63 . HG2* parsed_1o78 1 146 1 1 . . . . . . . . . 67 . HN parsed_1o78 1 146 1 2 . . . . . . . . . 81 . HA parsed_1o78 1 147 1 1 . . . . . . . . . 67 . HN parsed_1o78 1 147 1 2 . . . . . . . . . 82 . HN parsed_1o78 1 148 1 1 . . . . . . . . . 69 . HN parsed_1o78 1 148 1 2 . . . . . . . . . 72 . HB1 parsed_1o78 1 149 1 1 . . . . . . . . . 69 . HN parsed_1o78 1 149 1 2 . . . . . . . . . 72 . HN parsed_1o78 1 150 1 1 . . . . . . . . . 71 . HN parsed_1o78 1 150 1 2 . . . . . . . . . 26 . HG2* parsed_1o78 1 151 1 1 . . . . . . . . . 71 . HN parsed_1o78 1 151 1 2 . . . . . . . . . 26 . HB parsed_1o78 1 152 1 1 . . . . . . . . . 71 . HN parsed_1o78 1 152 1 2 . . . . . . . . . 26 . HG1* parsed_1o78 1 153 1 1 . . . . . . . . . 71 . HN parsed_1o78 1 153 1 2 . . . . . . . . . 27 . HA parsed_1o78 1 154 1 1 . . . . . . . . . 72 . HN parsed_1o78 1 154 1 2 . . . . . . . . . 26 . HG2* parsed_1o78 1 155 1 1 . . . . . . . . . 74 . HN parsed_1o78 1 155 1 2 . . . . . . . . . 24 . HN parsed_1o78 1 156 1 1 . . . . . . . . . 74 . HN parsed_1o78 1 156 1 2 . . . . . . . . . 25 . HA parsed_1o78 1 157 1 1 . . . . . . . . . 74 . HN parsed_1o78 1 157 1 2 . . . . . . . . . 25 . HG2* parsed_1o78 1 158 1 1 . . . . . . . . . 76 . HN parsed_1o78 1 158 1 2 . . . . . . . . . 23 . HA parsed_1o78 1 159 1 1 . . . . . . . . . 76 . HN parsed_1o78 1 159 1 2 . . . . . . . . . 23 . HB* parsed_1o78 1 160 1 1 . . . . . . . . . 76 . HN parsed_1o78 1 160 1 2 . . . . . . . . . 23 . HN parsed_1o78 1 161 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 161 1 2 . . . . . . . . . 19 . HA parsed_1o78 1 162 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 162 1 2 . . . . . . . . . 19 . HB1 parsed_1o78 1 163 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 163 1 2 . . . . . . . . . 20 . HB* parsed_1o78 1 164 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 164 1 2 . . . . . . . . . 20 . HN parsed_1o78 1 165 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 165 1 2 . . . . . . . . . 21 . HA parsed_1o78 1 166 1 1 . . . . . . . . . 77 . HN parsed_1o78 1 166 1 2 . . . . . . . . . 22 . HN parsed_1o78 1 167 1 1 . . . . . . . . . 78 . HN parsed_1o78 1 167 1 2 . . . . . . . . . 20 . HB* parsed_1o78 1 168 1 1 . . . . . . . . . 78 . HN parsed_1o78 1 168 1 2 . . . . . . . . . 20 . HN parsed_1o78 1 169 1 1 . . . . . . . . . 78 . HN parsed_1o78 1 169 1 2 . . . . . . . . . 76 . HA2 parsed_1o78 1 170 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 170 1 2 . . . . . . . . . 13 . HA parsed_1o78 1 171 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 171 1 2 . . . . . . . . . 13 . HB* parsed_1o78 1 172 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 172 1 2 . . . . . . . . . 13 . HN parsed_1o78 1 173 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 173 1 2 . . . . . . . . . 19 . HA parsed_1o78 1 174 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 174 1 2 . . . . . . . . . 67 . HD1* parsed_1o78 1 175 1 1 . . . . . . . . . 79 . HN parsed_1o78 1 175 1 2 . . . . . . . . . 67 . HD2* parsed_1o78 1 176 1 1 . . . . . . . . . 80 . HN parsed_1o78 1 176 1 2 . . . . . . . . . 17 . HB2 parsed_1o78 1 177 1 1 . . . . . . . . . 80 . HN parsed_1o78 1 177 1 2 . . . . . . . . . 19 . HA parsed_1o78 1 178 1 1 . . . . . . . . . 80 . HN parsed_1o78 1 178 1 2 . . . . . . . . . 67 . HD1* parsed_1o78 1 179 1 1 . . . . . . . . . 81 . HN parsed_1o78 1 179 1 2 . . . . . . . . . 17 . HA parsed_1o78 1 180 1 1 . . . . . . . . . 81 . HN parsed_1o78 1 180 1 2 . . . . . . . . . 18 . HD* parsed_1o78 1 181 1 1 . . . . . . . . . 81 . HN parsed_1o78 1 181 1 2 . . . . . . . . . 67 . HD1* parsed_1o78 1 182 1 1 . . . . . . . . . 81 . HN parsed_1o78 1 182 1 2 . . . . . . . . . 79 . HA# parsed_1o78 1 183 1 1 . . . . . . . . . 82 . HN parsed_1o78 1 183 1 2 . . . . . . . . . 64 . HN parsed_1o78 1 184 1 1 . . . . . . . . . 82 . HN parsed_1o78 1 184 1 2 . . . . . . . . . 65 . HN parsed_1o78 1 185 1 1 . . . . . . . . . 82 . HN parsed_1o78 1 185 1 2 . . . . . . . . . 66 . HA parsed_1o78 1 186 1 1 . . . . . . . . . 82 . HN parsed_1o78 1 186 1 2 . . . . . . . . . 67 . HD1* parsed_1o78 1 187 1 1 . . . . . . . . . 82 . HN parsed_1o78 1 187 1 2 . . . . . . . . . 67 . HN parsed_1o78 1 188 1 1 . . . . . . . . . 83 . HN parsed_1o78 1 188 1 2 . . . . . . . . . 16 . HA1 parsed_1o78 1 189 1 1 . . . . . . . . . 83 . HN parsed_1o78 1 189 1 2 . . . . . . . . . 16 . HA2 parsed_1o78 1 190 1 1 . . . . . . . . . 83 . HN parsed_1o78 1 190 1 2 . . . . . . . . . 18 . HD* parsed_1o78 1 191 1 1 . . . . . . . . . 83 . HN parsed_1o78 1 191 1 2 . . . . . . . . . 64 . HG1 parsed_1o78 1 192 1 1 . . . . . . . . . 84 . HN parsed_1o78 1 192 1 2 . . . . . . . . . 64 . HG1 parsed_1o78 1 193 1 1 . . . . . . . . . 84 . HN parsed_1o78 1 193 1 2 . . . . . . . . . 64 . HG2 parsed_1o78 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 . . . . . 5 1.7 5.0 parsed_1o78 1 2 1 . . . . . 5 1.7 5.0 parsed_1o78 1 3 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 4 1 . . . . . 5 1.7 5.0 parsed_1o78 1 5 1 . . . . . 5 1.7 5.0 parsed_1o78 1 6 1 . . . . . 5 1.7 5.0 parsed_1o78 1 7 1 . . . . . 5 1.7 5.0 parsed_1o78 1 8 1 . . . . . 5 1.7 5.0 parsed_1o78 1 9 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 10 1 . . . . . 5 1.7 5.0 parsed_1o78 1 11 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 12 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 13 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 14 1 . . . . . 5 1.7 5.0 parsed_1o78 1 15 1 . . . . . 5 1.7 5.0 parsed_1o78 1 16 1 . . . . . 5 1.7 5.0 parsed_1o78 1 17 1 . . . . . 5 1.7 5.0 parsed_1o78 1 18 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 19 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 20 1 . . . . . 5 1.7 5.0 parsed_1o78 1 21 1 . . . . . 5 1.7 5.0 parsed_1o78 1 22 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 23 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 24 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 25 1 . . . . . 5 1.7 5.0 parsed_1o78 1 26 1 . . . . . 5 1.7 5.0 parsed_1o78 1 27 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 28 1 . . . . . 5 1.7 5.0 parsed_1o78 1 29 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 30 1 . . . . . 5 1.7 5.0 parsed_1o78 1 31 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 32 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 33 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 34 1 . . . . . 5 1.7 5.0 parsed_1o78 1 35 1 . . . . . 5 1.7 5.0 parsed_1o78 1 36 1 . . . . . 5 1.7 5.0 parsed_1o78 1 37 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 38 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 39 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 40 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 41 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 42 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 43 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 44 1 . . . . . 5 1.7 5.0 parsed_1o78 1 45 1 . . . . . 5 1.7 5.0 parsed_1o78 1 46 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 47 1 . . . . . 5 1.7 5.0 parsed_1o78 1 48 1 . . . . . 5 1.7 5.0 parsed_1o78 1 49 1 . . . . . 5 1.7 5.0 parsed_1o78 1 50 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 51 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 52 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 53 1 . . . . . 5 1.7 5.0 parsed_1o78 1 54 1 . . . . . 5 1.7 5.0 parsed_1o78 1 55 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 56 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 57 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 58 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 59 1 . . . . . 5 1.7 5.0 parsed_1o78 1 60 1 . . . . . 5 1.7 5.0 parsed_1o78 1 61 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 62 1 . . . . . 5 1.7 5.0 parsed_1o78 1 63 1 . . . . . 5 1.7 5.0 parsed_1o78 1 64 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 65 1 . . . . . 5 1.7 5.0 parsed_1o78 1 66 1 . . . . . 5 1.7 5.0 parsed_1o78 1 67 1 . . . . . 5 1.7 5.0 parsed_1o78 1 68 1 . . . . . 5 1.7 5.0 parsed_1o78 1 69 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 70 1 . . . . . 5 1.7 5.0 parsed_1o78 1 71 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 72 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 73 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 74 1 . . . . . 5 1.7 5.0 parsed_1o78 1 75 1 . . . . . 5 1.7 5.0 parsed_1o78 1 76 1 . . . . . 5 1.7 5.0 parsed_1o78 1 77 1 . . . . . 5 1.7 5.0 parsed_1o78 1 78 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 79 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 80 1 . . . . . 5 1.7 5.0 parsed_1o78 1 81 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 82 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 83 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 84 1 . . . . . 5 1.7 5.0 parsed_1o78 1 85 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 86 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 87 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 88 1 . . . . . 5 1.7 5.0 parsed_1o78 1 89 1 . . . . . 5 1.7 5.0 parsed_1o78 1 90 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 91 1 . . . . . 5 1.7 5.0 parsed_1o78 1 92 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 93 1 . . . . . 5 1.7 5.0 parsed_1o78 1 94 1 . . . . . 5 1.7 5.0 parsed_1o78 1 95 1 . . . . . 5 1.7 5.0 parsed_1o78 1 96 1 . . . . . 5 1.7 5.0 parsed_1o78 1 97 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 98 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 99 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 100 1 . . . . . 5 1.7 5.0 parsed_1o78 1 101 1 . . . . . 5 1.7 5.0 parsed_1o78 1 102 1 . . . . . 5 1.7 5.0 parsed_1o78 1 103 1 . . . . . 5 1.7 5.0 parsed_1o78 1 104 1 . . . . . 5 1.7 5.0 parsed_1o78 1 105 1 . . . . . 5 1.7 5.0 parsed_1o78 1 106 1 . . . . . 6 1.7 6.0 parsed_1o78 1 107 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 108 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 109 1 . . . . . 5 1.7 5.0 parsed_1o78 1 110 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 111 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 112 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 113 1 . . . . . 5 1.7 5.0 parsed_1o78 1 114 1 . . . . . 5 1.7 5.0 parsed_1o78 1 115 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 116 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 117 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 118 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 119 1 . . . . . 5 1.7 5.0 parsed_1o78 1 120 1 . . . . . 5 1.7 5.0 parsed_1o78 1 121 1 . . . . . 5 1.7 5.0 parsed_1o78 1 122 1 . . . . . 5 1.7 5.0 parsed_1o78 1 123 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 124 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 125 1 . . . . . 5 1.7 5.0 parsed_1o78 1 126 1 . . . . . 5 1.7 5.0 parsed_1o78 1 127 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 128 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 129 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 130 1 . . . . . 5 1.7 5.0 parsed_1o78 1 131 1 . . . . . 5 1.7 5.0 parsed_1o78 1 132 1 . . . . . 5 1.7 5.0 parsed_1o78 1 133 1 . . . . . 5 1.7 5.0 parsed_1o78 1 134 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 135 1 . . . . . 5 1.7 5.0 parsed_1o78 1 136 1 . . . . . 5 1.7 5.0 parsed_1o78 1 137 1 . . . . . 5 1.7 5.0 parsed_1o78 1 138 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 139 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 140 1 . . . . . 5 1.7 5.0 parsed_1o78 1 141 1 . . . . . 5 1.7 5.0 parsed_1o78 1 142 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 143 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 144 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 145 1 . . . . . 5 1.7 5.0 parsed_1o78 1 146 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 147 1 . . . . . 5 1.7 5.0 parsed_1o78 1 148 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 149 1 . . . . . 5 1.7 5.0 parsed_1o78 1 150 1 . . . . . 5 1.7 5.0 parsed_1o78 1 151 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 152 1 . . . . . 5 1.7 5.0 parsed_1o78 1 153 1 . . . . . 5 1.7 5.0 parsed_1o78 1 154 1 . . . . . 5 1.7 5.0 parsed_1o78 1 155 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 156 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 157 1 . . . . . 5 1.7 5.0 parsed_1o78 1 158 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 159 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 160 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 161 1 . . . . . 5 1.7 5.0 parsed_1o78 1 162 1 . . . . . 5 1.7 5.0 parsed_1o78 1 163 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 164 1 . . . . . 5 1.7 5.0 parsed_1o78 1 165 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 166 1 . . . . . 5 1.7 5.0 parsed_1o78 1 167 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 168 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 169 1 . . . . . 5 1.7 5.0 parsed_1o78 1 170 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 171 1 . . . . . 5 1.7 5.0 parsed_1o78 1 172 1 . . . . . 5 1.7 5.0 parsed_1o78 1 173 1 . . . . . 5 1.7 5.0 parsed_1o78 1 174 1 . . . . . 5 1.7 5.0 parsed_1o78 1 175 1 . . . . . 5 1.7 5.0 parsed_1o78 1 176 1 . . . . . 5 1.7 5.0 parsed_1o78 1 177 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 178 1 . . . . . 5 1.7 5.0 parsed_1o78 1 179 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 180 1 . . . . . 5.0 1.7 5.0 parsed_1o78 1 181 1 . . . . . 5 1.7 5.0 parsed_1o78 1 182 1 . . . . . 5 1.7 5.0 parsed_1o78 1 183 1 . . . . . 5 1.7 5.0 parsed_1o78 1 184 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 185 1 . . . . . 5 1.7 5.0 parsed_1o78 1 186 1 . . . . . 5 1.7 5.0 parsed_1o78 1 187 1 . . . . . 5 1.7 5.0 parsed_1o78 1 188 1 . . . . . 5 1.7 5.0 parsed_1o78 1 189 1 . . . . . 5 1.7 5.0 parsed_1o78 1 190 1 . . . . . 5 1.7 5.0 parsed_1o78 1 191 1 . . . . . 5 1.7 5.0 parsed_1o78 1 192 1 . . . . . 3.5 1.7 3.5 parsed_1o78 1 193 1 . . . . . 5 1.7 5.0 parsed_1o78 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 ; Same restraint set as Jack_Run22 with additional H-bond constraints added based on if 5 or more structures of the 10 lowest energy structures from Run23 (BEFORE minimization w/o NOEs --> i.e., not *XNOE* structures) showed the H-bond (calculated with MolMol using default H-bond definition - d<2.4 a<35.0) ; 1 1 5 9 parsed_1o78 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1o78 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1o78 2 2 1 . . . parsed_1o78 2 3 1 . . . parsed_1o78 2 4 1 . . . parsed_1o78 2 5 1 . . . parsed_1o78 2 6 1 . . . parsed_1o78 2 7 1 . . . parsed_1o78 2 8 1 . . . parsed_1o78 2 9 1 . . . parsed_1o78 2 10 1 . . . parsed_1o78 2 11 1 . . . parsed_1o78 2 12 1 . . . parsed_1o78 2 13 1 . . . parsed_1o78 2 14 1 . . . parsed_1o78 2 15 1 . . . parsed_1o78 2 16 1 . . . parsed_1o78 2 17 1 . . . parsed_1o78 2 18 1 . . . parsed_1o78 2 19 1 . . . parsed_1o78 2 20 1 . . . parsed_1o78 2 21 1 . . . parsed_1o78 2 22 1 . . . parsed_1o78 2 23 1 . . . parsed_1o78 2 24 1 . . . parsed_1o78 2 25 1 . . . parsed_1o78 2 26 1 . . . parsed_1o78 2 27 1 . . . parsed_1o78 2 28 1 . . . parsed_1o78 2 29 1 . . . parsed_1o78 2 30 1 . . . parsed_1o78 2 31 1 . . . parsed_1o78 2 32 1 . . . parsed_1o78 2 33 1 . . . parsed_1o78 2 34 1 . . . parsed_1o78 2 35 1 . . . parsed_1o78 2 36 1 . . . parsed_1o78 2 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 . . . . . . . . . 20 . HN parsed_1o78 2 1 1 2 . . . . . . . . . 78 . O parsed_1o78 2 2 1 1 . . . . . . . . . 20 . N parsed_1o78 2 2 1 2 . . . . . . . . . 78 . O parsed_1o78 2 3 1 1 . . . . . . . . . 31 . HN parsed_1o78 2 3 1 2 . . . . . . . . . 43 . O parsed_1o78 2 4 1 1 . . . . . . . . . 31 . N parsed_1o78 2 4 1 2 . . . . . . . . . 43 . O parsed_1o78 2 5 1 1 . . . . . . . . . 37 . HN parsed_1o78 2 5 1 2 . . . . . . . . . 61 . O parsed_1o78 2 6 1 1 . . . . . . . . . 37 . N parsed_1o78 2 6 1 2 . . . . . . . . . 61 . O parsed_1o78 2 7 1 1 . . . . . . . . . 43 . HN parsed_1o78 2 7 1 2 . . . . . . . . . 55 . O parsed_1o78 2 8 1 1 . . . . . . . . . 43 . N parsed_1o78 2 8 1 2 . . . . . . . . . 55 . O parsed_1o78 2 9 1 1 . . . . . . . . . 44 . HN parsed_1o78 2 9 1 2 . . . . . . . . . 55 . O parsed_1o78 2 10 1 1 . . . . . . . . . 44 . N parsed_1o78 2 10 1 2 . . . . . . . . . 55 . O parsed_1o78 2 11 1 1 . . . . . . . . . 45 . HN parsed_1o78 2 11 1 2 . . . . . . . . . 28 . O parsed_1o78 2 12 1 1 . . . . . . . . . 45 . N parsed_1o78 2 12 1 2 . . . . . . . . . 28 . O parsed_1o78 2 13 1 1 . . . . . . . . . 46 . HN parsed_1o78 2 13 1 2 . . . . . . . . . 53 . O parsed_1o78 2 14 1 1 . . . . . . . . . 46 . N parsed_1o78 2 14 1 2 . . . . . . . . . 53 . O parsed_1o78 2 15 1 1 . . . . . . . . . 55 . HN parsed_1o78 2 15 1 2 . . . . . . . . . 44 . O parsed_1o78 2 16 1 1 . . . . . . . . . 55 . N parsed_1o78 2 16 1 2 . . . . . . . . . 44 . O parsed_1o78 2 17 1 1 . . . . . . . . . 57 . HN parsed_1o78 2 17 1 2 . . . . . . . . . 41 . O parsed_1o78 2 18 1 1 . . . . . . . . . 57 . N parsed_1o78 2 18 1 2 . . . . . . . . . 41 . O parsed_1o78 2 19 1 1 . . . . . . . . . 63 . HN parsed_1o78 2 19 1 2 . . . . . . . . . 35 . O parsed_1o78 2 20 1 1 . . . . . . . . . 63 . N parsed_1o78 2 20 1 2 . . . . . . . . . 35 . O parsed_1o78 2 21 1 1 . . . . . . . . . 68 . HN parsed_1o78 2 21 1 2 . . . . . . . . . 80 . O parsed_1o78 2 22 1 1 . . . . . . . . . 68 . N parsed_1o78 2 22 1 2 . . . . . . . . . 80 . O parsed_1o78 2 23 1 1 . . . . . . . . . 74 . HN parsed_1o78 2 23 1 2 . . . . . . . . . 24 . O parsed_1o78 2 24 1 1 . . . . . . . . . 74 . N parsed_1o78 2 24 1 2 . . . . . . . . . 24 . O parsed_1o78 2 25 1 1 . . . . . . . . . 82 . HN parsed_1o78 2 25 1 2 . . . . . . . . . 65 . O parsed_1o78 2 26 1 1 . . . . . . . . . 82 . N parsed_1o78 2 26 1 2 . . . . . . . . . 65 . O parsed_1o78 2 27 1 1 . . . . . . . . . 27 . HN parsed_1o78 2 27 1 2 . . . . . . . . . 45 . O parsed_1o78 2 28 1 1 . . . . . . . . . 27 . N parsed_1o78 2 28 1 2 . . . . . . . . . 45 . O parsed_1o78 2 29 1 1 . . . . . . . . . 30 . HN parsed_1o78 2 29 1 2 . . . . . . . . . 43 . O parsed_1o78 2 30 1 1 . . . . . . . . . 30 . N parsed_1o78 2 30 1 2 . . . . . . . . . 43 . O parsed_1o78 2 31 1 1 . . . . . . . . . 53 . HN parsed_1o78 2 31 1 2 . . . . . . . . . 46 . O parsed_1o78 2 32 1 1 . . . . . . . . . 53 . N parsed_1o78 2 32 1 2 . . . . . . . . . 46 . O parsed_1o78 2 33 1 1 . . . . . . . . . 61 . HN parsed_1o78 2 33 1 2 . . . . . . . . . 37 . O parsed_1o78 2 34 1 1 . . . . . . . . . 61 . N parsed_1o78 2 34 1 2 . . . . . . . . . 37 . O parsed_1o78 2 35 1 1 . . . . . . . . . 64 . HN parsed_1o78 2 35 1 2 . . . . . . . . . 82 . O parsed_1o78 2 36 1 1 . . . . . . . . . 64 . N parsed_1o78 2 36 1 2 . . . . . . . . . 82 . O parsed_1o78 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 2 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 3 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 4 1 . . . . . 2.9 2.6 3.2 parsed_1o78 2 5 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 6 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 7 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 8 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 9 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 10 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 11 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 12 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 13 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 14 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 15 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 16 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 17 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 18 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 19 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 20 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 21 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 22 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 23 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 24 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 25 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 26 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 27 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 28 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 29 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 30 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 31 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 32 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 33 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 34 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 35 1 . . . . . 2.1 1.8 2.4 parsed_1o78 2 36 1 . . . . . 2.9 2.4 3.4 parsed_1o78 2 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "H-bond constraints" 1 1 2 2 parsed_1o78 2 2 "additional H-bond constraints" 29 1 31 2 parsed_1o78 2 stop_ save_
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