NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
583761 | 2mtt | 25186 | cing | 2-parsed | STAR | entry | full | 199 |
data_2mtt_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mtt _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_2mtt 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mtt _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 2mtt "Master copy" parsed_2mtt stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mtt _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 2mtt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mtt 1 1 2mtt.mr . . XPLOR/CNS 2 distance NOE simple 185 parsed_2mtt 1 1 2mtt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_2mtt 1 1 2mtt.mr . . "MR format" 4 comment "Not applicable" "Not applicable" 0 parsed_2mtt 1 1 2mtt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mtt 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_2mtt _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 DE NOVO PROTEIN 31-AUG-14 2MTT *TITLE NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN RGIA: [3,12]-CIS DICARBA *TITLE 2 RGIA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DICARBA ANALOGUES OF ALPHA-CONOTOXIN RGIA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS DICARBA, RGIA, ALPHA-CONOTOXIN, NON-REDUCIBLE, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.CHHABRA, S.D.ROBINSON, R.S.NORTON *REVDAT 1 26-NOV-14 2MTT 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mtt _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_2mtt 1 2 1 . . . parsed_2mtt 1 3 1 . . . parsed_2mtt 1 4 1 . . . parsed_2mtt 1 5 1 . . . parsed_2mtt 1 6 1 . . . parsed_2mtt 1 7 1 . . . parsed_2mtt 1 8 1 . . . parsed_2mtt 1 9 1 . . . parsed_2mtt 1 10 1 . . . parsed_2mtt 1 11 1 . . . parsed_2mtt 1 12 1 . . . parsed_2mtt 1 13 1 . . . parsed_2mtt 1 14 1 . . . parsed_2mtt 1 15 1 . . . parsed_2mtt 1 16 1 . . . parsed_2mtt 1 17 1 . . . parsed_2mtt 1 18 1 . . . parsed_2mtt 1 19 1 . . . parsed_2mtt 1 20 1 . . . parsed_2mtt 1 21 1 . . . parsed_2mtt 1 22 1 . . . parsed_2mtt 1 23 1 . . . parsed_2mtt 1 24 1 . . . parsed_2mtt 1 25 1 . . . parsed_2mtt 1 26 1 . . . parsed_2mtt 1 27 1 . . . parsed_2mtt 1 28 1 . . . parsed_2mtt 1 29 1 . . . parsed_2mtt 1 30 1 . . . parsed_2mtt 1 31 1 . . . parsed_2mtt 1 32 1 . . . parsed_2mtt 1 33 1 . . . parsed_2mtt 1 34 1 . . . parsed_2mtt 1 35 1 . . . parsed_2mtt 1 36 1 . . . parsed_2mtt 1 37 1 . . . parsed_2mtt 1 38 1 . . . parsed_2mtt 1 39 1 . . . parsed_2mtt 1 40 1 . . . parsed_2mtt 1 41 1 . . . parsed_2mtt 1 42 1 . . . parsed_2mtt 1 43 1 . . . parsed_2mtt 1 44 1 . . . parsed_2mtt 1 45 1 . . . parsed_2mtt 1 46 1 . . . parsed_2mtt 1 47 1 . . . parsed_2mtt 1 48 1 . . . parsed_2mtt 1 49 1 . . . parsed_2mtt 1 50 1 . . . parsed_2mtt 1 51 1 . . . parsed_2mtt 1 52 1 . . . parsed_2mtt 1 53 1 . . . parsed_2mtt 1 54 1 . . . parsed_2mtt 1 55 1 . . . parsed_2mtt 1 56 1 . . . parsed_2mtt 1 57 1 . . . parsed_2mtt 1 58 1 . . . parsed_2mtt 1 59 1 . . . parsed_2mtt 1 60 1 . . . parsed_2mtt 1 61 1 . . . parsed_2mtt 1 62 1 . . . parsed_2mtt 1 63 1 . . . parsed_2mtt 1 64 1 . . . parsed_2mtt 1 65 1 . . . parsed_2mtt 1 66 1 . . . parsed_2mtt 1 67 1 . . . parsed_2mtt 1 68 1 . . . parsed_2mtt 1 69 1 . . . parsed_2mtt 1 70 1 . . . parsed_2mtt 1 71 1 . . . parsed_2mtt 1 72 1 . . . parsed_2mtt 1 73 1 . . . parsed_2mtt 1 74 1 . . . parsed_2mtt 1 75 1 . . . parsed_2mtt 1 76 1 . . . parsed_2mtt 1 77 1 . . . parsed_2mtt 1 78 1 . . . parsed_2mtt 1 79 1 . . . parsed_2mtt 1 80 1 . . . parsed_2mtt 1 81 1 . . . parsed_2mtt 1 82 1 . . . parsed_2mtt 1 83 1 . . . parsed_2mtt 1 84 1 . . . parsed_2mtt 1 85 1 . . . parsed_2mtt 1 86 1 . . . parsed_2mtt 1 87 1 . . . parsed_2mtt 1 88 1 . . . parsed_2mtt 1 89 1 . . . parsed_2mtt 1 90 1 . . . parsed_2mtt 1 91 1 . . . parsed_2mtt 1 92 1 . . . parsed_2mtt 1 93 1 . . . parsed_2mtt 1 94 1 . . . parsed_2mtt 1 95 1 . . . parsed_2mtt 1 96 1 . . . parsed_2mtt 1 97 1 . . . parsed_2mtt 1 98 1 . . . parsed_2mtt 1 99 1 . . . parsed_2mtt 1 100 1 . . . parsed_2mtt 1 101 1 . . . parsed_2mtt 1 102 1 . . . parsed_2mtt 1 103 1 . . . parsed_2mtt 1 104 1 . . . parsed_2mtt 1 105 1 . . . parsed_2mtt 1 106 1 . . . parsed_2mtt 1 107 1 . . . parsed_2mtt 1 108 1 . . . parsed_2mtt 1 109 1 . . . parsed_2mtt 1 110 1 . . . parsed_2mtt 1 111 1 . . . parsed_2mtt 1 112 1 . . . parsed_2mtt 1 113 1 . . . parsed_2mtt 1 114 1 . . . parsed_2mtt 1 115 1 . . . parsed_2mtt 1 116 1 . . . parsed_2mtt 1 117 1 . . . parsed_2mtt 1 118 1 . . . parsed_2mtt 1 119 1 . . . parsed_2mtt 1 120 1 . . . parsed_2mtt 1 121 1 . . . parsed_2mtt 1 122 1 . . . parsed_2mtt 1 123 1 . . . parsed_2mtt 1 124 1 . . . parsed_2mtt 1 125 1 . . . parsed_2mtt 1 126 1 . . . parsed_2mtt 1 127 1 . . . parsed_2mtt 1 128 1 . . . parsed_2mtt 1 129 1 . . . parsed_2mtt 1 130 1 . . . parsed_2mtt 1 131 1 . . . parsed_2mtt 1 132 1 . . . parsed_2mtt 1 133 1 . . . parsed_2mtt 1 134 1 . . . parsed_2mtt 1 135 1 . . . parsed_2mtt 1 136 1 . . . parsed_2mtt 1 137 1 . . . parsed_2mtt 1 138 1 . . . parsed_2mtt 1 139 1 . . . parsed_2mtt 1 140 1 . . . parsed_2mtt 1 141 1 . . . parsed_2mtt 1 142 1 . . . parsed_2mtt 1 143 1 . . . parsed_2mtt 1 144 1 . . . parsed_2mtt 1 145 1 . . . parsed_2mtt 1 146 1 . . . parsed_2mtt 1 147 1 . . . parsed_2mtt 1 148 1 . . . parsed_2mtt 1 149 1 . . . parsed_2mtt 1 150 1 . . . parsed_2mtt 1 151 1 . . . parsed_2mtt 1 152 1 . . . parsed_2mtt 1 153 1 . . . parsed_2mtt 1 154 1 . . . parsed_2mtt 1 155 1 . . . parsed_2mtt 1 156 1 . . . parsed_2mtt 1 157 1 . . . parsed_2mtt 1 158 1 . . . parsed_2mtt 1 159 1 . . . parsed_2mtt 1 160 1 . . . parsed_2mtt 1 161 1 . . . parsed_2mtt 1 162 1 . . . parsed_2mtt 1 163 1 . . . parsed_2mtt 1 164 1 . . . parsed_2mtt 1 165 1 . . . parsed_2mtt 1 166 1 . . . parsed_2mtt 1 167 1 . . . parsed_2mtt 1 168 1 . . . parsed_2mtt 1 169 1 . . . parsed_2mtt 1 170 1 . . . parsed_2mtt 1 171 1 . . . parsed_2mtt 1 172 1 . . . parsed_2mtt 1 173 1 . . . parsed_2mtt 1 174 1 . . . parsed_2mtt 1 175 1 . . . parsed_2mtt 1 176 1 . . . parsed_2mtt 1 177 1 . . . parsed_2mtt 1 178 1 . . . parsed_2mtt 1 179 1 . . . parsed_2mtt 1 180 1 . . . parsed_2mtt 1 181 1 . . . parsed_2mtt 1 182 1 . . . parsed_2mtt 1 183 1 . . . parsed_2mtt 1 184 1 . . . parsed_2mtt 1 185 1 . . . parsed_2mtt 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 1 . HA2 parsed_2mtt 1 1 1 2 . . . . . . . . . 2 . HN parsed_2mtt 1 2 1 1 . . . . . . . . . 1 . HA1 parsed_2mtt 1 2 1 2 . . . . . . . . . 2 . HN parsed_2mtt 1 3 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 3 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 4 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 4 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1 5 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 5 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1 6 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 6 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1 7 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 7 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1 8 1 1 . . . . . . . . . 2 . HB2 parsed_2mtt 1 8 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1 9 1 1 . . . . . . . . . 2 . HB1 parsed_2mtt 1 9 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1 10 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1 10 1 2 . . . . . . . . . 2 . HB2 parsed_2mtt 1 11 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1 11 1 2 . . . . . . . . . 2 . HB1 parsed_2mtt 1 12 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 12 1 2 . . . . . . . . . 2 . HB2 parsed_2mtt 1 13 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 13 1 2 . . . . . . . . . 2 . HB1 parsed_2mtt 1 14 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1 14 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1 15 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1 15 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1 16 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1 16 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1 17 1 1 . . . . . . . . . 2 . HB* parsed_2mtt 1 17 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1 18 1 1 . . . . . . . . . 2 . HB* parsed_2mtt 1 18 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1 19 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1 19 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 20 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1 20 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1 21 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1 21 1 2 . . . . . . . . . 3 . HB1 parsed_2mtt 1 22 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1 22 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1 23 1 1 . . . . . . . . . 3 . HB1 parsed_2mtt 1 23 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1 24 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1 24 1 2 . . . . . . . . . 5 . HN parsed_2mtt 1 25 1 1 . . . . . . . . . 3 . HB2 parsed_2mtt 1 25 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 26 1 1 . . . . . . . . . 3 . HB1 parsed_2mtt 1 26 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 27 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1 27 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 28 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1 28 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 29 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 29 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1 30 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 30 1 2 . . . . . . . . . 3 . HB1 parsed_2mtt 1 31 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 31 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1 32 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 32 1 2 . . . . . . . . . 3 . HB* parsed_2mtt 1 33 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 33 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 34 1 1 . . . . . . . . . 3 . HB* parsed_2mtt 1 34 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 35 1 1 . . . . . . . . . 3 . HB* parsed_2mtt 1 35 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1 36 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 36 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 37 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1 37 1 2 . . . . . . . . . 3 . HA parsed_2mtt 1 38 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1 38 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1 39 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1 39 1 2 . . . . . . . . . 4 . HB2 parsed_2mtt 1 40 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1 40 1 2 . . . . . . . . . 4 . HB1 parsed_2mtt 1 41 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1 41 1 2 . . . . . . . . . 4 . HB* parsed_2mtt 1 42 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1 42 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1 43 1 1 . . . . . . . . . 4 . HB1 parsed_2mtt 1 43 1 2 . . . . . . . . . 5 . HN parsed_2mtt 1 44 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1 44 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1 45 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1 45 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1 46 1 1 . . . . . . . . . 5 . HB2 parsed_2mtt 1 46 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1 47 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1 47 1 2 . . . . . . . . . 6 . HD* parsed_2mtt 1 48 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1 48 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1 49 1 1 . . . . . . . . . 5 . HB2 parsed_2mtt 1 49 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 50 1 1 . . . . . . . . . 5 . HB1 parsed_2mtt 1 50 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 51 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1 51 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1 52 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1 52 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1 53 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1 53 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1 54 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1 54 1 2 . . . . . . . . . 6 . HD* parsed_2mtt 1 55 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1 55 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 56 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1 56 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1 57 1 1 . . . . . . . . . 6 . HA parsed_2mtt 1 57 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1 58 1 1 . . . . . . . . . 6 . HD* parsed_2mtt 1 58 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1 59 1 1 . . . . . . . . . 6 . HG* parsed_2mtt 1 59 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1 60 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1 60 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1 61 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1 61 1 2 . . . . . . . . . 6 . HB1 parsed_2mtt 1 62 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1 62 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1 63 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1 63 1 2 . . . . . . . . . 6 . HG1 parsed_2mtt 1 64 1 1 . . . . . . . . . 6 . HB1 parsed_2mtt 1 64 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1 65 1 1 . . . . . . . . . 6 . HB1 parsed_2mtt 1 65 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1 66 1 1 . . . . . . . . . 6 . HG1 parsed_2mtt 1 66 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1 67 1 1 . . . . . . . . . 6 . HG1 parsed_2mtt 1 67 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1 68 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 68 1 2 . . . . . . . . . 7 . HB2 parsed_2mtt 1 69 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 69 1 2 . . . . . . . . . 7 . HB1 parsed_2mtt 1 70 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 70 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 71 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 71 1 2 . . . . . . . . . 7 . HD2 parsed_2mtt 1 72 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 72 1 2 . . . . . . . . . 7 . HD1 parsed_2mtt 1 73 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 73 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1 74 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 74 1 2 . . . . . . . . . 7 . HD* parsed_2mtt 1 75 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1 75 1 2 . . . . . . . . . 7 . HG* parsed_2mtt 1 76 1 1 . . . . . . . . . 7 . HB2 parsed_2mtt 1 76 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 77 1 1 . . . . . . . . . 7 . HB1 parsed_2mtt 1 77 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 78 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 78 1 2 . . . . . . . . . 7 . HB2 parsed_2mtt 1 79 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 79 1 2 . . . . . . . . . 7 . HB1 parsed_2mtt 1 80 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 80 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1 81 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 81 1 2 . . . . . . . . . 7 . HB* parsed_2mtt 1 82 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 82 1 2 . . . . . . . . . 7 . HD* parsed_2mtt 1 83 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 83 1 2 . . . . . . . . . 7 . HG* parsed_2mtt 1 84 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1 84 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 85 1 1 . . . . . . . . . 7 . HB* parsed_2mtt 1 85 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1 86 1 1 . . . . . . . . . 7 . HB* parsed_2mtt 1 86 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 87 1 1 . . . . . . . . . 7 . HG* parsed_2mtt 1 87 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1 88 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1 88 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 89 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1 89 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 90 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1 90 1 2 . . . . . . . . . 8 . HA parsed_2mtt 1 91 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1 91 1 2 . . . . . . . . . 8 . HB2 parsed_2mtt 1 92 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1 92 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1 93 1 1 . . . . . . . . . 8 . HB2 parsed_2mtt 1 93 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1 94 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1 94 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1 95 1 1 . . . . . . . . . 8 . HB2 parsed_2mtt 1 95 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1 96 1 1 . . . . . . . . . 8 . HB1 parsed_2mtt 1 96 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1 97 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1 97 1 2 . . . . . . . . . 8 . HB2 parsed_2mtt 1 98 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1 98 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1 99 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1 99 1 2 . . . . . . . . . 8 . HA parsed_2mtt 1 100 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1 100 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 101 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1 101 1 2 . . . . . . . . . 9 . HE parsed_2mtt 1 102 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1 102 1 2 . . . . . . . . . 9 . HD* parsed_2mtt 1 103 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1 103 1 2 . . . . . . . . . 9 . HB1 parsed_2mtt 1 104 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1 104 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 105 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1 105 1 2 . . . . . . . . . 9 . HB* parsed_2mtt 1 106 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1 106 1 2 . . . . . . . . . 9 . HD* parsed_2mtt 1 107 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1 107 1 2 . . . . . . . . . 9 . HG* parsed_2mtt 1 108 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1 108 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 109 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1 109 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 110 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1 110 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1 111 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1 111 1 2 . . . . . . . . . 9 . HE parsed_2mtt 1 112 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1 112 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 113 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1 113 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 114 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1 114 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1 115 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1 115 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1 116 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1 116 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1 117 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1 117 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1 118 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1 118 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 119 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1 119 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 120 1 1 . . . . . . . . . 10 . HB2 parsed_2mtt 1 120 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 121 1 1 . . . . . . . . . 10 . HB1 parsed_2mtt 1 121 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 122 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 122 1 2 . . . . . . . . . 10 . HA parsed_2mtt 1 123 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 123 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1 124 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 124 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1 125 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 125 1 2 . . . . . . . . . 10 . HB* parsed_2mtt 1 126 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 126 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1 127 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1 127 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 128 1 1 . . . . . . . . . 10 . HB* parsed_2mtt 1 128 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 129 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 129 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1 130 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 130 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1 131 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 131 1 2 . . . . . . . . . 11 . HA parsed_2mtt 1 132 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 132 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1 133 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 133 1 2 . . . . . . . . . 12 . HA parsed_2mtt 1 134 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 134 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 135 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1 135 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 136 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1 136 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1 137 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1 137 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1 138 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1 138 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1 139 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 139 1 2 . . . . . . . . . 11 . HB2 parsed_2mtt 1 140 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 140 1 2 . . . . . . . . . 11 . HB1 parsed_2mtt 1 141 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 141 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1 142 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 142 1 2 . . . . . . . . . 11 . HD* parsed_2mtt 1 143 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 143 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 144 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1 144 1 2 . . . . . . . . . 11 . HG1 parsed_2mtt 1 145 1 1 . . . . . . . . . 11 . HB2 parsed_2mtt 1 145 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1 146 1 1 . . . . . . . . . 11 . HB2 parsed_2mtt 1 146 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 147 1 1 . . . . . . . . . 11 . HB1 parsed_2mtt 1 147 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1 148 1 1 . . . . . . . . . 11 . HB1 parsed_2mtt 1 148 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 149 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 149 1 2 . . . . . . . . . 11 . HA parsed_2mtt 1 150 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 150 1 2 . . . . . . . . . 11 . HB2 parsed_2mtt 1 151 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 151 1 2 . . . . . . . . . 11 . HB1 parsed_2mtt 1 152 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 152 1 2 . . . . . . . . . 11 . HB* parsed_2mtt 1 153 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 153 1 2 . . . . . . . . . 11 . HD* parsed_2mtt 1 154 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1 154 1 2 . . . . . . . . . 11 . HG* parsed_2mtt 1 155 1 1 . . . . . . . . . 11 . HB* parsed_2mtt 1 155 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 156 1 1 . . . . . . . . . 11 . HG* parsed_2mtt 1 156 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1 157 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1 157 1 2 . . . . . . . . . 12 . HB2 parsed_2mtt 1 158 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1 158 1 2 . . . . . . . . . 12 . HB1 parsed_2mtt 1 159 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1 159 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 160 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1 160 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 161 1 1 . . . . . . . . . 12 . HB2 parsed_2mtt 1 161 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 162 1 1 . . . . . . . . . 12 . HB2 parsed_2mtt 1 162 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 163 1 1 . . . . . . . . . 12 . HB1 parsed_2mtt 1 163 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 164 1 1 . . . . . . . . . 12 . HG parsed_2mtt 1 164 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 165 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1 165 1 2 . . . . . . . . . 12 . HB2 parsed_2mtt 1 166 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1 166 1 2 . . . . . . . . . 12 . HB1 parsed_2mtt 1 167 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1 167 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 168 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1 168 1 2 . . . . . . . . . 12 . HB* parsed_2mtt 1 169 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1 169 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 170 1 1 . . . . . . . . . 12 . HB* parsed_2mtt 1 170 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1 171 1 1 . . . . . . . . . 12 . HB1 parsed_2mtt 1 171 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1 172 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1 172 1 2 . . . . . . . . . 13 . HB1 parsed_2mtt 1 173 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1 173 1 2 . . . . . . . . . 13 . HG1 parsed_2mtt 1 174 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1 174 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1 175 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1 175 1 2 . . . . . . . . . 13 . HD* parsed_2mtt 1 176 1 1 . . . . . . . . . 13 . HB2 parsed_2mtt 1 176 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1 177 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1 177 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1 178 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1 178 1 2 . . . . . . . . . 13 . HB* parsed_2mtt 1 179 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1 179 1 2 . . . . . . . . . 13 . HD* parsed_2mtt 1 180 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1 180 1 2 . . . . . . . . . 13 . HG* parsed_2mtt 1 181 1 1 . . . . . . . . . 13 . HB* parsed_2mtt 1 181 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1 182 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1 182 1 2 . . . . . . . . . 13 . HB2 parsed_2mtt 1 183 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1 183 1 2 . . . . . . . . . 13 . HG1 parsed_2mtt 1 184 1 1 . . . . . . . . . 13 . HG1 parsed_2mtt 1 184 1 2 . . . . . . . . . 13 . HD1 parsed_2mtt 1 185 1 1 . . . . . . . . . 13 . HG* parsed_2mtt 1 185 1 2 . . . . . . . . . 13 . HE parsed_2mtt 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 . . . . . 3.55 1.80 3.55 parsed_2mtt 1 2 1 . . . . . 3.55 1.80 3.55 parsed_2mtt 1 3 1 . . . . . 4.65 1.80 4.65 parsed_2mtt 1 4 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1 5 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1 6 1 . . . . . 4.62 1.80 4.62 parsed_2mtt 1 7 1 . . . . . 5.19 1.80 5.19 parsed_2mtt 1 8 1 . . . . . 4.45 1.80 4.45 parsed_2mtt 1 9 1 . . . . . 4.45 1.80 4.45 parsed_2mtt 1 10 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1 11 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1 12 1 . . . . . 3.68 1.80 3.68 parsed_2mtt 1 13 1 . . . . . 4.08 1.80 4.08 parsed_2mtt 1 14 1 . . . . . 3.59 1.80 3.59 parsed_2mtt 1 15 1 . . . . . 4.95 1.80 4.95 parsed_2mtt 1 16 1 . . . . . 3.66 1.80 3.66 parsed_2mtt 1 17 1 . . . . . 3.75 1.80 3.75 parsed_2mtt 1 18 1 . . . . . 5.2 1.8 5.2 parsed_2mtt 1 19 1 . . . . . 4.73 1.80 4.73 parsed_2mtt 1 20 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1 21 1 . . . . . 3.99 1.80 3.99 parsed_2mtt 1 22 1 . . . . . 4.03 1.80 4.03 parsed_2mtt 1 23 1 . . . . . 2.58 1.80 2.58 parsed_2mtt 1 24 1 . . . . . 5.01 1.80 5.01 parsed_2mtt 1 25 1 . . . . . 4.24 1.80 4.24 parsed_2mtt 1 26 1 . . . . . 4.24 1.80 4.24 parsed_2mtt 1 27 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 28 1 . . . . . 4.74 1.80 4.74 parsed_2mtt 1 29 1 . . . . . 3.7 1.8 3.7 parsed_2mtt 1 30 1 . . . . . 3.7 1.8 3.7 parsed_2mtt 1 31 1 . . . . . 3.21 1.80 3.21 parsed_2mtt 1 32 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1 33 1 . . . . . 3.39 1.80 3.39 parsed_2mtt 1 34 1 . . . . . 4.3 1.8 4.3 parsed_2mtt 1 35 1 . . . . . 3.61 1.80 3.61 parsed_2mtt 1 36 1 . . . . . 5 1.8 5.0 parsed_2mtt 1 37 1 . . . . . 3.5 1.8 3.5 parsed_2mtt 1 38 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1 39 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1 40 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1 41 1 . . . . . 3.17 1.80 3.17 parsed_2mtt 1 42 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 43 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1 44 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1 45 1 . . . . . 4.55 1.80 4.55 parsed_2mtt 1 46 1 . . . . . 3 1.8 3.0 parsed_2mtt 1 47 1 . . . . . 2.77 1.80 2.77 parsed_2mtt 1 48 1 . . . . . 4.86 1.80 4.86 parsed_2mtt 1 49 1 . . . . . 4.63 1.80 4.63 parsed_2mtt 1 50 1 . . . . . 4.63 1.80 4.63 parsed_2mtt 1 51 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1 52 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1 53 1 . . . . . 4.68 1.80 4.68 parsed_2mtt 1 54 1 . . . . . 2.6 1.8 2.6 parsed_2mtt 1 55 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1 56 1 . . . . . 4.78 1.80 4.78 parsed_2mtt 1 57 1 . . . . . 3.74 1.80 3.74 parsed_2mtt 1 58 1 . . . . . 3.75 1.80 3.75 parsed_2mtt 1 59 1 . . . . . 4.15 1.80 4.15 parsed_2mtt 1 60 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1 61 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1 62 1 . . . . . 4.21 1.80 4.21 parsed_2mtt 1 63 1 . . . . . 2.8 1.8 2.8 parsed_2mtt 1 64 1 . . . . . 3.54 1.80 3.54 parsed_2mtt 1 65 1 . . . . . 4.62 1.80 4.62 parsed_2mtt 1 66 1 . . . . . 4.27 1.80 4.27 parsed_2mtt 1 67 1 . . . . . 3.43 1.80 3.43 parsed_2mtt 1 68 1 . . . . . 3.72 1.80 3.72 parsed_2mtt 1 69 1 . . . . . 3.92 1.80 3.92 parsed_2mtt 1 70 1 . . . . . 3.87 1.80 3.87 parsed_2mtt 1 71 1 . . . . . 5.49 1.80 5.49 parsed_2mtt 1 72 1 . . . . . 5.49 1.80 5.49 parsed_2mtt 1 73 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 74 1 . . . . . 4.74 1.80 4.74 parsed_2mtt 1 75 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1 76 1 . . . . . 4.64 1.80 4.64 parsed_2mtt 1 77 1 . . . . . 4.64 1.80 4.64 parsed_2mtt 1 78 1 . . . . . 3.83 1.80 3.83 parsed_2mtt 1 79 1 . . . . . 3.83 1.80 3.83 parsed_2mtt 1 80 1 . . . . . 5.1 1.8 5.1 parsed_2mtt 1 81 1 . . . . . 3 1.8 3.0 parsed_2mtt 1 82 1 . . . . . 4.21 1.80 4.21 parsed_2mtt 1 83 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1 84 1 . . . . . 3.05 1.80 3.05 parsed_2mtt 1 85 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1 86 1 . . . . . 4.03 1.80 4.03 parsed_2mtt 1 87 1 . . . . . 4.81 1.80 4.81 parsed_2mtt 1 88 1 . . . . . 4.69 1.80 4.69 parsed_2mtt 1 89 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 90 1 . . . . . 3.45 1.80 3.45 parsed_2mtt 1 91 1 . . . . . 4.13 1.80 4.13 parsed_2mtt 1 92 1 . . . . . 4.02 1.80 4.02 parsed_2mtt 1 93 1 . . . . . 2.71 1.80 2.71 parsed_2mtt 1 94 1 . . . . . 2.82 1.80 2.82 parsed_2mtt 1 95 1 . . . . . 4.43 1.80 4.43 parsed_2mtt 1 96 1 . . . . . 4.43 1.80 4.43 parsed_2mtt 1 97 1 . . . . . 3.24 1.80 3.24 parsed_2mtt 1 98 1 . . . . . 3.24 1.80 3.24 parsed_2mtt 1 99 1 . . . . . 3.45 1.80 3.45 parsed_2mtt 1 100 1 . . . . . 4.12 1.80 4.12 parsed_2mtt 1 101 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 102 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 103 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1 104 1 . . . . . 3.41 1.80 3.41 parsed_2mtt 1 105 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1 106 1 . . . . . 4.72 1.80 4.72 parsed_2mtt 1 107 1 . . . . . 3.46 1.80 3.46 parsed_2mtt 1 108 1 . . . . . 4.34 1.80 4.34 parsed_2mtt 1 109 1 . . . . . 4.66 1.80 4.66 parsed_2mtt 1 110 1 . . . . . 5.50 1.80 5.50 parsed_2mtt 1 111 1 . . . . . 5.29 1.80 5.29 parsed_2mtt 1 112 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1 113 1 . . . . . 4.79 1.80 4.79 parsed_2mtt 1 114 1 . . . . . 5.50 1.80 5.50 parsed_2mtt 1 115 1 . . . . . 4.12 1.80 4.12 parsed_2mtt 1 116 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1 117 1 . . . . . 3.65 1.80 3.65 parsed_2mtt 1 118 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1 119 1 . . . . . 3.35 1.80 3.35 parsed_2mtt 1 120 1 . . . . . 4.49 1.80 4.49 parsed_2mtt 1 121 1 . . . . . 4.49 1.80 4.49 parsed_2mtt 1 122 1 . . . . . 4.14 1.80 4.14 parsed_2mtt 1 123 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1 124 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1 125 1 . . . . . 3.4 1.8 3.4 parsed_2mtt 1 126 1 . . . . . 4.27 1.80 4.27 parsed_2mtt 1 127 1 . . . . . 4.48 1.80 4.48 parsed_2mtt 1 128 1 . . . . . 3.63 1.80 3.63 parsed_2mtt 1 129 1 . . . . . 4.2 1.8 4.2 parsed_2mtt 1 130 1 . . . . . 4.2 1.8 4.2 parsed_2mtt 1 131 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 132 1 . . . . . 4.79 1.80 4.79 parsed_2mtt 1 133 1 . . . . . 4.87 1.80 4.87 parsed_2mtt 1 134 1 . . . . . 5.10 1.80 5.10 parsed_2mtt 1 135 1 . . . . . 4.1 1.8 4.1 parsed_2mtt 1 136 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1 137 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1 138 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1 139 1 . . . . . 3.69 1.80 3.69 parsed_2mtt 1 140 1 . . . . . 3.73 1.80 3.73 parsed_2mtt 1 141 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 142 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 143 1 . . . . . 2.89 1.80 2.89 parsed_2mtt 1 144 1 . . . . . 4.83 1.80 4.83 parsed_2mtt 1 145 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 146 1 . . . . . 4.4 1.8 4.4 parsed_2mtt 1 147 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 148 1 . . . . . 4.4 1.8 4.4 parsed_2mtt 1 149 1 . . . . . 3.85 1.80 3.85 parsed_2mtt 1 150 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1 151 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1 152 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1 153 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 154 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1 155 1 . . . . . 3.65 1.80 3.65 parsed_2mtt 1 156 1 . . . . . 4.69 1.80 4.69 parsed_2mtt 1 157 1 . . . . . 3.53 1.80 3.53 parsed_2mtt 1 158 1 . . . . . 3.62 1.80 3.62 parsed_2mtt 1 159 1 . . . . . 3.56 1.80 3.56 parsed_2mtt 1 160 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1 161 1 . . . . . 3.37 1.80 3.37 parsed_2mtt 1 162 1 . . . . . 4.04 1.80 4.04 parsed_2mtt 1 163 1 . . . . . 4.04 1.80 4.04 parsed_2mtt 1 164 1 . . . . . 5.12 1.80 5.12 parsed_2mtt 1 165 1 . . . . . 3.77 1.80 3.77 parsed_2mtt 1 166 1 . . . . . 3.77 1.80 3.77 parsed_2mtt 1 167 1 . . . . . 4.36 1.80 4.36 parsed_2mtt 1 168 1 . . . . . 3.21 1.80 3.21 parsed_2mtt 1 169 1 . . . . . 4.53 1.80 4.53 parsed_2mtt 1 170 1 . . . . . 3.51 1.80 3.51 parsed_2mtt 1 171 1 . . . . . 3.49 1.80 3.49 parsed_2mtt 1 172 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1 173 1 . . . . . 4.25 1.80 4.25 parsed_2mtt 1 174 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1 175 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 176 1 . . . . . 4.8 1.8 4.8 parsed_2mtt 1 177 1 . . . . . 4.8 1.8 4.8 parsed_2mtt 1 178 1 . . . . . 3.62 1.80 3.62 parsed_2mtt 1 179 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1 180 1 . . . . . 4.99 1.80 4.99 parsed_2mtt 1 181 1 . . . . . 4.02 1.80 4.02 parsed_2mtt 1 182 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1 183 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1 184 1 . . . . . 3 1.8 3.0 parsed_2mtt 1 185 1 . . . . . 3.44 1.80 3.44 parsed_2mtt 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2mtt _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -10.3 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mtt 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.7 -53.7 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mtt 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.4 -6.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mtt 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.7 -64.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mtt 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.4 16.6 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mtt 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.3 -45.1 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mtt 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 163.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mtt 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.7 -57.9 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mtt 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 32.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mtt 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2mtt 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mtt 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mtt 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mtt 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mtt 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 CHI1 20 1 20 7 parsed_2mtt 1 2 PHI 25 1 25 6 parsed_2mtt 1 stop_ save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2mtt _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; assign (resid 8 and name N ) (resid 8 and name HN ) (resid 5 and name O ) ; save_
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