NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
633324 | 6mjd | 30519 | cing | 2-parsed | STAR | entry | full | 217 |
data_6mjd_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6mjd _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_6mjd 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6mjd _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 6mjd "Master copy" parsed_6mjd stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6mjd _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 6mjd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mjd 1 1 6mjd.mr . . XPLOR/CNS 2 distance NOE simple 178 parsed_6mjd 1 1 6mjd.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_6mjd 1 1 6mjd.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 6 parsed_6mjd 1 1 6mjd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mjd 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_6mjd _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 TOXIN 20-SEP-18 6MJD *TITLE NMR SOLUTION STRUCTURE OF GIIIC *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG- *COMPND 3 CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; *SOURCE 4 ORGANISM_TAXID: 6491 *KEYWDS CONOTOXIN, SODIUM CHANNEL BLOCKER, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR P.J.HARVEY,T.DUREK,D.J.CRAIK *REVDAT 1 28-NOV-18 6MJD 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6mjd _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_6mjd 1 2 1 . . . parsed_6mjd 1 3 1 . . . parsed_6mjd 1 4 1 . . . parsed_6mjd 1 5 1 . . . parsed_6mjd 1 6 1 . . . parsed_6mjd 1 7 1 . . . parsed_6mjd 1 8 1 . . . parsed_6mjd 1 9 1 . . . parsed_6mjd 1 10 1 . . . parsed_6mjd 1 11 1 . . . parsed_6mjd 1 12 1 . . . parsed_6mjd 1 13 1 . . . parsed_6mjd 1 14 1 . . . parsed_6mjd 1 15 1 . . . parsed_6mjd 1 16 1 . . . parsed_6mjd 1 17 1 . . . parsed_6mjd 1 18 1 . . . parsed_6mjd 1 19 1 . . . parsed_6mjd 1 20 1 . . . parsed_6mjd 1 21 1 . . . parsed_6mjd 1 22 1 . . . parsed_6mjd 1 23 1 . . . parsed_6mjd 1 24 1 . . . parsed_6mjd 1 25 1 . . . parsed_6mjd 1 26 1 . . . parsed_6mjd 1 27 1 . . . parsed_6mjd 1 28 1 . . . parsed_6mjd 1 29 1 . . . parsed_6mjd 1 30 1 . . . parsed_6mjd 1 31 1 . . . parsed_6mjd 1 32 1 . . . parsed_6mjd 1 33 1 . . . parsed_6mjd 1 34 1 . . . parsed_6mjd 1 35 1 . . . parsed_6mjd 1 36 1 . . . parsed_6mjd 1 37 1 . . . parsed_6mjd 1 38 1 . . . parsed_6mjd 1 39 1 . . . parsed_6mjd 1 40 1 . . . parsed_6mjd 1 41 1 . . . parsed_6mjd 1 42 1 . . . parsed_6mjd 1 43 1 . . . parsed_6mjd 1 44 1 . . . parsed_6mjd 1 45 1 . . . parsed_6mjd 1 46 1 . . . parsed_6mjd 1 47 1 . . . parsed_6mjd 1 48 1 . . . parsed_6mjd 1 49 1 . . . parsed_6mjd 1 50 1 . . . parsed_6mjd 1 51 1 . . . parsed_6mjd 1 52 1 . . . parsed_6mjd 1 53 1 . . . parsed_6mjd 1 54 1 . . . parsed_6mjd 1 55 1 . . . parsed_6mjd 1 56 1 . . . parsed_6mjd 1 57 1 . . . parsed_6mjd 1 58 1 . . . parsed_6mjd 1 59 1 . . . parsed_6mjd 1 60 1 . . . parsed_6mjd 1 61 1 . . . parsed_6mjd 1 62 1 . . . parsed_6mjd 1 63 1 . . . parsed_6mjd 1 64 1 . . . parsed_6mjd 1 65 1 . . . parsed_6mjd 1 66 1 . . . parsed_6mjd 1 67 1 . . . parsed_6mjd 1 68 1 . . . parsed_6mjd 1 69 1 . . . parsed_6mjd 1 70 1 . . . parsed_6mjd 1 71 1 . . . parsed_6mjd 1 72 1 . . . parsed_6mjd 1 73 1 . . . parsed_6mjd 1 74 1 . . . parsed_6mjd 1 75 1 . . . parsed_6mjd 1 76 1 . . . parsed_6mjd 1 77 1 . . . parsed_6mjd 1 78 1 . . . parsed_6mjd 1 79 1 . . . parsed_6mjd 1 80 1 . . . parsed_6mjd 1 81 1 . . . parsed_6mjd 1 82 1 . . . parsed_6mjd 1 83 1 . . . parsed_6mjd 1 84 1 . . . parsed_6mjd 1 85 1 . . . parsed_6mjd 1 86 1 . . . parsed_6mjd 1 87 1 . . . parsed_6mjd 1 88 1 . . . parsed_6mjd 1 89 1 . . . parsed_6mjd 1 90 1 . . . parsed_6mjd 1 91 1 . . . parsed_6mjd 1 92 1 . . . parsed_6mjd 1 93 1 . . . parsed_6mjd 1 94 1 . . . parsed_6mjd 1 95 1 . . . parsed_6mjd 1 96 1 . . . parsed_6mjd 1 97 1 . . . parsed_6mjd 1 98 1 . . . parsed_6mjd 1 99 1 . . . parsed_6mjd 1 100 1 . . . parsed_6mjd 1 101 1 . . . parsed_6mjd 1 102 1 . . . parsed_6mjd 1 103 1 . . . parsed_6mjd 1 104 1 . . . parsed_6mjd 1 105 1 . . . parsed_6mjd 1 106 1 . . . parsed_6mjd 1 107 1 . . . parsed_6mjd 1 108 1 . . . parsed_6mjd 1 109 1 . . . parsed_6mjd 1 110 1 . . . parsed_6mjd 1 111 1 . . . parsed_6mjd 1 112 1 . . . parsed_6mjd 1 113 1 . . . parsed_6mjd 1 114 1 . . . parsed_6mjd 1 115 1 . . . parsed_6mjd 1 116 1 . . . parsed_6mjd 1 117 1 . . . parsed_6mjd 1 118 1 . . . parsed_6mjd 1 119 1 . . . parsed_6mjd 1 120 1 . . . parsed_6mjd 1 121 1 . . . parsed_6mjd 1 122 1 . . . parsed_6mjd 1 123 1 . . . parsed_6mjd 1 124 1 . . . parsed_6mjd 1 125 1 . . . parsed_6mjd 1 126 1 . . . parsed_6mjd 1 127 1 . . . parsed_6mjd 1 128 1 . . . parsed_6mjd 1 129 1 . . . parsed_6mjd 1 130 1 . . . parsed_6mjd 1 131 1 . . . parsed_6mjd 1 132 1 . . . parsed_6mjd 1 133 1 . . . parsed_6mjd 1 134 1 . . . parsed_6mjd 1 135 1 . . . parsed_6mjd 1 136 1 . . . parsed_6mjd 1 137 1 . . . parsed_6mjd 1 138 1 . . . parsed_6mjd 1 139 1 . . . parsed_6mjd 1 140 1 . . . parsed_6mjd 1 141 1 . . . parsed_6mjd 1 142 1 . . . parsed_6mjd 1 143 1 . . . parsed_6mjd 1 144 1 . . . parsed_6mjd 1 145 1 . . . parsed_6mjd 1 146 1 . . . parsed_6mjd 1 147 1 . . . parsed_6mjd 1 148 1 . . . parsed_6mjd 1 149 1 . . . parsed_6mjd 1 150 1 . . . parsed_6mjd 1 151 1 . . . parsed_6mjd 1 152 1 . . . parsed_6mjd 1 153 1 . . . parsed_6mjd 1 154 1 . . . parsed_6mjd 1 155 1 . . . parsed_6mjd 1 156 1 . . . parsed_6mjd 1 157 1 . . . parsed_6mjd 1 158 1 . . . parsed_6mjd 1 159 1 . . . parsed_6mjd 1 160 1 . . . parsed_6mjd 1 161 1 . . . parsed_6mjd 1 162 1 . . . parsed_6mjd 1 163 1 . . . parsed_6mjd 1 164 1 . . . parsed_6mjd 1 165 1 . . . parsed_6mjd 1 166 1 . . . parsed_6mjd 1 167 1 . . . parsed_6mjd 1 168 1 . . . parsed_6mjd 1 169 1 . . . parsed_6mjd 1 170 1 . . . parsed_6mjd 1 171 1 . . . parsed_6mjd 1 172 1 . . . parsed_6mjd 1 173 1 . . . parsed_6mjd 1 174 1 . . . parsed_6mjd 1 175 1 . . . parsed_6mjd 1 176 1 . . . parsed_6mjd 1 177 1 . . . parsed_6mjd 1 178 1 . . . parsed_6mjd 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 . . . . . . . . . 2 . HA parsed_6mjd 1 1 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1 2 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1 2 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1 3 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1 3 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1 4 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1 4 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1 5 1 1 . . . . . . . . . 19 . HA parsed_6mjd 1 5 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 6 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1 6 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1 7 1 1 . . . . . . . . . 5 . HN parsed_6mjd 1 7 1 2 . . . . . . . . . 5 . HB parsed_6mjd 1 8 1 1 . . . . . . . . . 13 . HA parsed_6mjd 1 8 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1 9 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1 9 1 2 . . . . . . . . . 17 . HD2 parsed_6mjd 1 10 1 1 . . . . . . . . . 12 . HB2 parsed_6mjd 1 10 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1 11 1 1 . . . . . . . . . 12 . HB1 parsed_6mjd 1 11 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1 12 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1 12 1 2 . . . . . . . . . 11 . HB2 parsed_6mjd 1 13 1 1 . . . . . . . . . 19 . HB2 parsed_6mjd 1 13 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 14 1 1 . . . . . . . . . 19 . HB1 parsed_6mjd 1 14 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 15 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1 15 1 2 . . . . . . . . . 11 . HB1 parsed_6mjd 1 16 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 16 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1 17 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 17 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1 18 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 18 1 2 . . . . . . . . . 8 . HB1 parsed_6mjd 1 19 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 19 1 2 . . . . . . . . . 8 . HB2 parsed_6mjd 1 20 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 20 1 2 . . . . . . . . . 13 . HB2 parsed_6mjd 1 21 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 21 1 2 . . . . . . . . . 13 . HB1 parsed_6mjd 1 22 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 22 1 2 . . . . . . . . . 13 . HG2 parsed_6mjd 1 23 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 23 1 2 . . . . . . . . . 13 . HG1 parsed_6mjd 1 24 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 24 1 2 . . . . . . . . . 14 . HG2 parsed_6mjd 1 25 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 25 1 2 . . . . . . . . . 14 . HG1 parsed_6mjd 1 26 1 1 . . . . . . . . . 22 . HN parsed_6mjd 1 26 1 2 . . . . . . . . . 22 . HB# parsed_6mjd 1 27 1 1 . . . . . . . . . 14 . HB2 parsed_6mjd 1 27 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1 28 1 1 . . . . . . . . . 14 . HB1 parsed_6mjd 1 28 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1 29 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1 29 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 30 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1 30 1 2 . . . . . . . . . 12 . HB1 parsed_6mjd 1 31 1 1 . . . . . . . . . 20 . HB1 parsed_6mjd 1 31 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 32 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1 32 1 2 . . . . . . . . . 12 . HB2 parsed_6mjd 1 33 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1 33 1 2 . . . . . . . . . 6 . HD2 parsed_6mjd 1 34 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1 34 1 2 . . . . . . . . . 6 . HD1 parsed_6mjd 1 35 1 1 . . . . . . . . . 2 . HA parsed_6mjd 1 35 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1 36 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1 36 1 2 . . . . . . . . . 14 . HN parsed_6mjd 1 37 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 37 1 2 . . . . . . . . . 13 . HD2 parsed_6mjd 1 38 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 38 1 2 . . . . . . . . . 13 . HD1 parsed_6mjd 1 39 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 39 1 2 . . . . . . . . . 14 . HD2 parsed_6mjd 1 40 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 40 1 2 . . . . . . . . . 14 . HD1 parsed_6mjd 1 41 1 1 . . . . . . . . . 1 . HB2 parsed_6mjd 1 41 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1 42 1 1 . . . . . . . . . 1 . HB1 parsed_6mjd 1 42 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1 43 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1 43 1 2 . . . . . . . . . 9 . HD2 parsed_6mjd 1 44 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1 44 1 2 . . . . . . . . . 9 . HD1 parsed_6mjd 1 45 1 1 . . . . . . . . . 5 . HN parsed_6mjd 1 45 1 2 . . . . . . . . . 5 . HG2# parsed_6mjd 1 46 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1 46 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1 47 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1 47 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1 48 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 48 1 2 . . . . . . . . . 19 . HD2 parsed_6mjd 1 49 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 49 1 2 . . . . . . . . . 19 . HD1 parsed_6mjd 1 50 1 1 . . . . . . . . . 8 . HG2 parsed_6mjd 1 50 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1 51 1 1 . . . . . . . . . 10 . HB1 parsed_6mjd 1 51 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1 52 1 1 . . . . . . . . . 10 . HB2 parsed_6mjd 1 52 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1 53 1 1 . . . . . . . . . 20 . HB2 parsed_6mjd 1 53 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 54 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1 54 1 2 . . . . . . . . . 17 . HD1 parsed_6mjd 1 55 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 55 1 2 . . . . . . . . . 15 . HN parsed_6mjd 1 56 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 56 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1 57 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1 57 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1 58 1 1 . . . . . . . . . 20 . HN parsed_6mjd 1 58 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 59 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1 59 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1 60 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1 60 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1 61 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1 61 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1 62 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1 62 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1 63 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 63 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 64 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 64 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1 65 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 65 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 66 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1 66 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1 67 1 1 . . . . . . . . . 8 . HG1 parsed_6mjd 1 67 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1 68 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1 68 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 69 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1 69 1 2 . . . . . . . . . 15 . HB2 parsed_6mjd 1 70 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1 70 1 2 . . . . . . . . . 15 . HB1 parsed_6mjd 1 71 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1 71 1 2 . . . . . . . . . 21 . HB1 parsed_6mjd 1 72 1 1 . . . . . . . . . 6 . HB2 parsed_6mjd 1 72 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1 73 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1 73 1 2 . . . . . . . . . 5 . HG2# parsed_6mjd 1 74 1 1 . . . . . . . . . 15 . HA parsed_6mjd 1 74 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 75 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1 75 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 76 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1 76 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1 77 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1 77 1 2 . . . . . . . . . 6 . HD2 parsed_6mjd 1 78 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1 78 1 2 . . . . . . . . . 14 . HG2 parsed_6mjd 1 79 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1 79 1 2 . . . . . . . . . 14 . HG1 parsed_6mjd 1 80 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1 80 1 2 . . . . . . . . . 21 . HB2 parsed_6mjd 1 81 1 1 . . . . . . . . . 17 . HD2 parsed_6mjd 1 81 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1 82 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1 82 1 2 . . . . . . . . . 6 . HD1 parsed_6mjd 1 83 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1 83 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1 84 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1 84 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 85 1 1 . . . . . . . . . 15 . HA parsed_6mjd 1 85 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1 86 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1 86 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1 87 1 1 . . . . . . . . . 15 . HN parsed_6mjd 1 87 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1 88 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1 88 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 89 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1 89 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 90 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1 90 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 91 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1 91 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 92 1 1 . . . . . . . . . 3 . HB1 parsed_6mjd 1 92 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 93 1 1 . . . . . . . . . 3 . HB2 parsed_6mjd 1 93 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 94 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1 94 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 95 1 1 . . . . . . . . . 18 . HD2# parsed_6mjd 1 95 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1 96 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1 96 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 97 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1 97 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 98 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 98 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1 99 1 1 . . . . . . . . . 22 . HB# parsed_6mjd 1 99 1 2 . . . . . . . . . 23 . . parsed_6mjd 1 100 1 1 . . . . . . . . . 22 . HB# parsed_6mjd 1 100 1 2 . . . . . . . . . 23 . . parsed_6mjd 1 101 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1 101 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1 102 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1 102 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1 103 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1 103 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 104 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 104 1 2 . . . . . . . . . 8 . HD2 parsed_6mjd 1 105 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 105 1 2 . . . . . . . . . 8 . HD1 parsed_6mjd 1 106 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1 106 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 107 1 1 . . . . . . . . . 18 . HD2# parsed_6mjd 1 107 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 108 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1 108 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 109 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1 109 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1 110 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1 110 1 2 . . . . . . . . . 8 . HA parsed_6mjd 1 111 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1 111 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1 112 1 1 . . . . . . . . . 6 . HB1 parsed_6mjd 1 112 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1 113 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 113 1 2 . . . . . . . . . 8 . HB1 parsed_6mjd 1 114 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 114 1 2 . . . . . . . . . 8 . HB2 parsed_6mjd 1 115 1 1 . . . . . . . . . 17 . HD1 parsed_6mjd 1 115 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 116 1 1 . . . . . . . . . 1 . HA parsed_6mjd 1 116 1 2 . . . . . . . . . 1 . HG# parsed_6mjd 1 117 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1 117 1 2 . . . . . . . . . 1 . HD# parsed_6mjd 1 118 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1 118 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1 119 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1 119 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1 120 1 1 . . . . . . . . . 1 . HG# parsed_6mjd 1 120 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1 121 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1 121 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1 122 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1 122 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1 123 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1 123 1 2 . . . . . . . . . 5 . HB parsed_6mjd 1 124 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1 124 1 2 . . . . . . . . . 3 . HB# parsed_6mjd 1 125 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1 125 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1 126 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1 126 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1 127 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1 127 1 2 . . . . . . . . . 18 . HB# parsed_6mjd 1 128 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1 128 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 129 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1 129 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 130 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1 130 1 2 . . . . . . . . . 4 . HB# parsed_6mjd 1 131 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1 131 1 2 . . . . . . . . . 8 . HD# parsed_6mjd 1 132 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1 132 1 2 . . . . . . . . . 6 . HD# parsed_6mjd 1 133 1 1 . . . . . . . . . 6 . HA parsed_6mjd 1 133 1 2 . . . . . . . . . 8 . HD# parsed_6mjd 1 134 1 1 . . . . . . . . . 6 . HB# parsed_6mjd 1 134 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1 135 1 1 . . . . . . . . . 7 . HB# parsed_6mjd 1 135 1 2 . . . . . . . . . 8 . HN parsed_6mjd 1 136 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1 136 1 2 . . . . . . . . . 8 . HB# parsed_6mjd 1 137 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1 137 1 2 . . . . . . . . . 8 . HE# parsed_6mjd 1 138 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1 138 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1 139 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1 139 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1 140 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1 140 1 2 . . . . . . . . . 9 . HB# parsed_6mjd 1 141 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1 141 1 2 . . . . . . . . . 9 . HG# parsed_6mjd 1 142 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1 142 1 2 . . . . . . . . . 10 . HB# parsed_6mjd 1 143 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1 143 1 2 . . . . . . . . . 11 . HB# parsed_6mjd 1 144 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1 144 1 2 . . . . . . . . . 15 . HB# parsed_6mjd 1 145 1 1 . . . . . . . . . 10 . HB# parsed_6mjd 1 145 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1 146 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1 146 1 2 . . . . . . . . . 11 . HB# parsed_6mjd 1 147 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1 147 1 2 . . . . . . . . . 11 . HG# parsed_6mjd 1 148 1 1 . . . . . . . . . 11 . HG# parsed_6mjd 1 148 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1 149 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1 149 1 2 . . . . . . . . . 13 . HB# parsed_6mjd 1 150 1 1 . . . . . . . . . 12 . HB# parsed_6mjd 1 150 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1 151 1 1 . . . . . . . . . 12 . HB# parsed_6mjd 1 151 1 2 . . . . . . . . . 14 . HN parsed_6mjd 1 152 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 152 1 2 . . . . . . . . . 13 . HB# parsed_6mjd 1 153 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1 153 1 2 . . . . . . . . . 13 . HG# parsed_6mjd 1 154 1 1 . . . . . . . . . 13 . HA parsed_6mjd 1 154 1 2 . . . . . . . . . 13 . HG# parsed_6mjd 1 155 1 1 . . . . . . . . . 13 . HB# parsed_6mjd 1 155 1 2 . . . . . . . . . 13 . HD# parsed_6mjd 1 156 1 1 . . . . . . . . . 13 . HB# parsed_6mjd 1 156 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1 157 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 157 1 2 . . . . . . . . . 14 . HB# parsed_6mjd 1 158 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 158 1 2 . . . . . . . . . 14 . HG# parsed_6mjd 1 159 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1 159 1 2 . . . . . . . . . 14 . HD# parsed_6mjd 1 160 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1 160 1 2 . . . . . . . . . 14 . HG# parsed_6mjd 1 161 1 1 . . . . . . . . . 14 . HB# parsed_6mjd 1 161 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1 162 1 1 . . . . . . . . . 15 . HN parsed_6mjd 1 162 1 2 . . . . . . . . . 15 . HB# parsed_6mjd 1 163 1 1 . . . . . . . . . 15 . HB# parsed_6mjd 1 163 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 164 1 1 . . . . . . . . . 15 . HB# parsed_6mjd 1 164 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 165 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1 165 1 2 . . . . . . . . . 21 . HB# parsed_6mjd 1 166 1 1 . . . . . . . . . 17 . HG parsed_6mjd 1 166 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1 167 1 1 . . . . . . . . . 17 . HG parsed_6mjd 1 167 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1 168 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1 168 1 2 . . . . . . . . . 18 . HB# parsed_6mjd 1 169 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1 169 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1 170 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1 170 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1 171 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1 171 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 172 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 172 1 2 . . . . . . . . . 19 . HG# parsed_6mjd 1 173 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1 173 1 2 . . . . . . . . . 20 . HB# parsed_6mjd 1 174 1 1 . . . . . . . . . 19 . HA parsed_6mjd 1 174 1 2 . . . . . . . . . 19 . HG# parsed_6mjd 1 175 1 1 . . . . . . . . . 20 . HN parsed_6mjd 1 175 1 2 . . . . . . . . . 20 . HB# parsed_6mjd 1 176 1 1 . . . . . . . . . 20 . HB# parsed_6mjd 1 176 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1 177 1 1 . . . . . . . . . 21 . HN parsed_6mjd 1 177 1 2 . . . . . . . . . 21 . HB# parsed_6mjd 1 178 1 1 . . . . . . . . . 21 . HB# parsed_6mjd 1 178 1 2 . . . . . . . . . 22 . HN parsed_6mjd 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.560 1.800 3.320 parsed_6mjd 1 2 1 . . . . . 2.370 1.800 2.940 parsed_6mjd 1 3 1 . . . . . 2.330 1.800 2.860 parsed_6mjd 1 4 1 . . . . . 2.370 1.800 2.940 parsed_6mjd 1 5 1 . . . . . 3.005 1.800 4.210 parsed_6mjd 1 6 1 . . . . . 3.200 1.800 4.600 parsed_6mjd 1 7 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1 8 1 . . . . . 3.305 1.800 4.810 parsed_6mjd 1 9 1 . . . . . 2.780 1.800 3.760 parsed_6mjd 1 10 1 . . . . . 3.350 1.800 4.900 parsed_6mjd 1 11 1 . . . . . 3.350 1.800 4.900 parsed_6mjd 1 12 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1 13 1 . . . . . 3.145 1.800 4.490 parsed_6mjd 1 14 1 . . . . . 3.145 1.800 4.490 parsed_6mjd 1 15 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1 16 1 . . . . . 2.840 1.800 3.880 parsed_6mjd 1 17 1 . . . . . 2.555 1.800 3.310 parsed_6mjd 1 18 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1 19 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1 20 1 . . . . . 2.700 1.800 3.600 parsed_6mjd 1 21 1 . . . . . 2.700 1.800 3.600 parsed_6mjd 1 22 1 . . . . . 3.090 1.800 4.380 parsed_6mjd 1 23 1 . . . . . 3.090 1.800 4.380 parsed_6mjd 1 24 1 . . . . . 2.890 1.800 3.980 parsed_6mjd 1 25 1 . . . . . 2.890 1.800 3.980 parsed_6mjd 1 26 1 . . . . . 2.510 1.800 3.220 parsed_6mjd 1 27 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 28 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 29 1 . . . . . 3.185 1.800 4.570 parsed_6mjd 1 30 1 . . . . . 2.550 1.800 3.300 parsed_6mjd 1 31 1 . . . . . 3.565 1.800 5.330 parsed_6mjd 1 32 1 . . . . . 2.550 1.800 3.300 parsed_6mjd 1 33 1 . . . . . 2.800 2.000 3.600 parsed_6mjd 1 34 1 . . . . . 2.570 1.800 3.340 parsed_6mjd 1 35 1 . . . . . 3.510 1.800 5.220 parsed_6mjd 1 36 1 . . . . . 3.380 1.800 4.960 parsed_6mjd 1 37 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 38 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 39 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 40 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 41 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 42 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 43 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 44 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 45 1 . . . . . 3.000 1.800 4.200 parsed_6mjd 1 46 1 . . . . . 2.545 1.800 3.290 parsed_6mjd 1 47 1 . . . . . 3.135 1.800 4.470 parsed_6mjd 1 48 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 49 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 50 1 . . . . . 3.435 1.800 5.070 parsed_6mjd 1 51 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1 52 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1 53 1 . . . . . 3.565 1.800 5.330 parsed_6mjd 1 54 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1 55 1 . . . . . 2.580 1.800 3.360 parsed_6mjd 1 56 1 . . . . . 3.520 1.800 5.240 parsed_6mjd 1 57 1 . . . . . 2.685 1.800 3.570 parsed_6mjd 1 58 1 . . . . . 2.760 1.800 3.720 parsed_6mjd 1 59 1 . . . . . 2.685 1.800 3.570 parsed_6mjd 1 60 1 . . . . . 3.085 1.800 4.370 parsed_6mjd 1 61 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1 62 1 . . . . . 2.820 1.800 3.840 parsed_6mjd 1 63 1 . . . . . 2.855 1.800 3.910 parsed_6mjd 1 64 1 . . . . . 3.540 1.800 5.280 parsed_6mjd 1 65 1 . . . . . 3.530 1.800 5.260 parsed_6mjd 1 66 1 . . . . . 3.585 1.800 5.370 parsed_6mjd 1 67 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 68 1 . . . . . 3.185 1.800 4.570 parsed_6mjd 1 69 1 . . . . . 2.845 1.800 3.890 parsed_6mjd 1 70 1 . . . . . 2.845 1.800 3.890 parsed_6mjd 1 71 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1 72 1 . . . . . 2.885 1.800 3.970 parsed_6mjd 1 73 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1 74 1 . . . . . 2.760 1.800 3.720 parsed_6mjd 1 75 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1 76 1 . . . . . 2.735 1.800 3.670 parsed_6mjd 1 77 1 . . . . . 2.905 1.800 4.010 parsed_6mjd 1 78 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1 79 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1 80 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1 81 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1 82 1 . . . . . 2.905 1.800 4.010 parsed_6mjd 1 83 1 . . . . . 2.960 1.800 4.120 parsed_6mjd 1 84 1 . . . . . 3.545 1.800 5.290 parsed_6mjd 1 85 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1 86 1 . . . . . 3.465 1.800 5.130 parsed_6mjd 1 87 1 . . . . . 2.935 1.800 4.070 parsed_6mjd 1 88 1 . . . . . 2.705 1.800 3.610 parsed_6mjd 1 89 1 . . . . . 2.940 1.800 4.080 parsed_6mjd 1 90 1 . . . . . 2.940 1.800 4.080 parsed_6mjd 1 91 1 . . . . . 2.705 1.800 3.610 parsed_6mjd 1 92 1 . . . . . 2.775 1.800 3.750 parsed_6mjd 1 93 1 . . . . . 2.775 1.800 3.750 parsed_6mjd 1 94 1 . . . . . 3.365 1.800 4.930 parsed_6mjd 1 95 1 . . . . . 3.095 1.800 4.390 parsed_6mjd 1 96 1 . . . . . 3.110 1.800 4.420 parsed_6mjd 1 97 1 . . . . . 3.170 1.800 4.540 parsed_6mjd 1 98 1 . . . . . 3.025 1.800 4.250 parsed_6mjd 1 99 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1 100 1 . . . . . 3.580 1.800 5.360 parsed_6mjd 1 101 1 . . . . . 3.200 1.800 4.600 parsed_6mjd 1 102 1 . . . . . 3.625 1.800 5.450 parsed_6mjd 1 103 1 . . . . . 3.600 1.800 5.400 parsed_6mjd 1 104 1 . . . . . 3.160 1.800 4.520 parsed_6mjd 1 105 1 . . . . . 3.160 1.800 4.520 parsed_6mjd 1 106 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 107 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 108 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 109 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 110 1 . . . . . 3.335 1.800 4.870 parsed_6mjd 1 111 1 . . . . . 3.040 1.800 4.280 parsed_6mjd 1 112 1 . . . . . 2.885 1.800 3.970 parsed_6mjd 1 113 1 . . . . . 3.505 1.800 5.210 parsed_6mjd 1 114 1 . . . . . 3.505 1.800 5.210 parsed_6mjd 1 115 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1 116 1 . . . . . 2.715 1.800 3.630 parsed_6mjd 1 117 1 . . . . . 2.500 1.800 3.200 parsed_6mjd 1 118 1 . . . . . 3.265 1.800 4.730 parsed_6mjd 1 119 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1 120 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1 121 1 . . . . . 2.745 1.800 3.690 parsed_6mjd 1 122 1 . . . . . 3.135 1.800 4.470 parsed_6mjd 1 123 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1 124 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1 125 1 . . . . . 3.085 1.800 4.370 parsed_6mjd 1 126 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1 127 1 . . . . . 3.490 1.800 5.180 parsed_6mjd 1 128 1 . . . . . 2.510 1.800 3.220 parsed_6mjd 1 129 1 . . . . . 3.105 1.800 4.410 parsed_6mjd 1 130 1 . . . . . 2.520 1.800 3.240 parsed_6mjd 1 131 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1 132 1 . . . . . 2.565 1.800 3.330 parsed_6mjd 1 133 1 . . . . . 3.500 2.000 5.000 parsed_6mjd 1 134 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1 135 1 . . . . . 2.875 1.800 3.950 parsed_6mjd 1 136 1 . . . . . 2.570 1.800 3.340 parsed_6mjd 1 137 1 . . . . . 3.270 1.800 4.740 parsed_6mjd 1 138 1 . . . . . 3.005 1.800 4.210 parsed_6mjd 1 139 1 . . . . . 3.365 1.800 4.930 parsed_6mjd 1 140 1 . . . . . 2.555 1.800 3.310 parsed_6mjd 1 141 1 . . . . . 2.955 1.800 4.110 parsed_6mjd 1 142 1 . . . . . 2.720 1.800 3.640 parsed_6mjd 1 143 1 . . . . . 3.500 1.800 5.200 parsed_6mjd 1 144 1 . . . . . 2.500 1.800 3.200 parsed_6mjd 1 145 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1 146 1 . . . . . 2.585 1.800 3.370 parsed_6mjd 1 147 1 . . . . . 2.980 1.800 4.160 parsed_6mjd 1 148 1 . . . . . 3.445 1.800 5.090 parsed_6mjd 1 149 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1 150 1 . . . . . 2.985 1.800 4.170 parsed_6mjd 1 151 1 . . . . . 2.930 1.800 4.060 parsed_6mjd 1 152 1 . . . . . 2.475 1.800 3.150 parsed_6mjd 1 153 1 . . . . . 2.725 1.800 3.650 parsed_6mjd 1 154 1 . . . . . 2.740 1.800 3.680 parsed_6mjd 1 155 1 . . . . . 2.560 1.800 3.320 parsed_6mjd 1 156 1 . . . . . 3.115 1.800 4.430 parsed_6mjd 1 157 1 . . . . . 2.410 1.800 3.020 parsed_6mjd 1 158 1 . . . . . 2.610 1.800 3.420 parsed_6mjd 1 159 1 . . . . . 3.300 1.800 4.800 parsed_6mjd 1 160 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1 161 1 . . . . . 3.325 1.800 4.850 parsed_6mjd 1 162 1 . . . . . 2.675 1.800 3.550 parsed_6mjd 1 163 1 . . . . . 3.250 1.800 4.700 parsed_6mjd 1 164 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1 165 1 . . . . . 2.780 1.800 3.760 parsed_6mjd 1 166 1 . . . . . 3.535 1.800 5.270 parsed_6mjd 1 167 1 . . . . . 3.385 1.800 4.970 parsed_6mjd 1 168 1 . . . . . 2.670 1.800 3.540 parsed_6mjd 1 169 1 . . . . . 2.625 1.800 3.450 parsed_6mjd 1 170 1 . . . . . 2.815 1.800 3.830 parsed_6mjd 1 171 1 . . . . . 2.820 1.800 3.840 parsed_6mjd 1 172 1 . . . . . 3.155 1.800 4.510 parsed_6mjd 1 173 1 . . . . . 3.430 1.800 5.060 parsed_6mjd 1 174 1 . . . . . 2.725 1.800 3.650 parsed_6mjd 1 175 1 . . . . . 2.450 1.800 3.100 parsed_6mjd 1 176 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1 177 1 . . . . . 2.475 1.800 3.150 parsed_6mjd 1 178 1 . . . . . 3.100 1.800 4.400 parsed_6mjd 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 "distance restraints" 2 1 2 21 parsed_6mjd 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: giiicpdb.restraints" 1 1 1 40 parsed_6mjd 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6mjd _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6mjd 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6mjd 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6mjd 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6mjd 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6mjd 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6mjd 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6mjd 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6mjd 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6mjd 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6mjd 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6mjd 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6mjd 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6mjd 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6mjd 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6mjd 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6mjd 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6mjd 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6mjd 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6mjd 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -60.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6mjd 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 40.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6mjd 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -20.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6mjd 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -20.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6mjd 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6mjd 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -40.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6mjd 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6mjd 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6mjd 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6mjd 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6mjd 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 10 . N . 10 . CA . 10 . CB . 10 . SG parsed_6mjd 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6mjd 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_6mjd 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_6mjd 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 "dihedral restraints" 1 1 1 21 parsed_6mjd 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6mjd _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_6mjd 2 2 1 . . . parsed_6mjd 2 3 1 . . . parsed_6mjd 2 4 1 . . . parsed_6mjd 2 5 1 . . . parsed_6mjd 2 6 1 . . . parsed_6mjd 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 . . . . . . . . . 15 . HN parsed_6mjd 2 1 1 2 . . . . . . . . . 12 . O parsed_6mjd 2 2 1 1 . . . . . . . . . 15 . N parsed_6mjd 2 2 1 2 . . . . . . . . . 12 . O parsed_6mjd 2 3 1 1 . . . . . . . . . 16 . HN parsed_6mjd 2 3 1 2 . . . . . . . . . 13 . O parsed_6mjd 2 4 1 1 . . . . . . . . . 16 . N parsed_6mjd 2 4 1 2 . . . . . . . . . 13 . O parsed_6mjd 2 5 1 1 . . . . . . . . . 21 . HN parsed_6mjd 2 5 1 2 . . . . . . . . . 18 . O parsed_6mjd 2 6 1 1 . . . . . . . . . 21 . N parsed_6mjd 2 6 1 2 . . . . . . . . . 18 . O parsed_6mjd 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 . . . . . 0 0 2 parsed_6mjd 2 2 1 . . . . . 0 0 3 parsed_6mjd 2 3 1 . . . . . 0 0 2 parsed_6mjd 2 4 1 . . . . . 0 0 3 parsed_6mjd 2 5 1 . . . . . 0 0 2 parsed_6mjd 2 6 1 . . . . . 0 0 3 parsed_6mjd 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 "hbond restraints" 1 1 1 18 parsed_6mjd 2 stop_ save_
Contact the webmaster for help, if required. Monday, July 8, 2024 3:03:00 AM GMT (wattos1)