NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
624368 | 6bx9 | 30385 | cing | 2-parsed | STAR | entry | full | 177 |
data_6bx9_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6bx9 _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_6bx9 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6bx9 _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 6bx9 "Master copy" parsed_6bx9 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6bx9 _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 6bx9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bx9 1 1 6bx9.mr . . XPLOR/CNS 2 distance NOE simple 167 parsed_6bx9 1 1 6bx9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_6bx9 1 1 6bx9.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 5 parsed_6bx9 1 1 6bx9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bx9 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_6bx9 _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 18-DEC-17 6BX9 *TITLE SOLUTION STRUCTURE OF CONOTOXIN REG3B *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONOTOXIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: REG3B *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: CONUS REGIUS; *SOURCE 3 ORGANISM_COMMON: CROWN CONE; *SOURCE 4 ORGANISM_TAXID: 101314; *SOURCE 5 OTHER_DETAILS: VENOM DUCT *KEYWDS MINI-M, MULTI-TURN SCAFFOLD, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR F.MARI,S.DOVELL *REVDAT 1 24-JAN-18 6BX9 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6bx9 _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_6bx9 1 2 1 . . . parsed_6bx9 1 3 1 . . . parsed_6bx9 1 4 1 . . . parsed_6bx9 1 5 1 . . . parsed_6bx9 1 6 1 . . . parsed_6bx9 1 7 1 . . . parsed_6bx9 1 8 1 . . . parsed_6bx9 1 9 1 . . . parsed_6bx9 1 10 1 . . . parsed_6bx9 1 11 1 . . . parsed_6bx9 1 12 1 . . . parsed_6bx9 1 13 1 . . . parsed_6bx9 1 14 1 . . . parsed_6bx9 1 15 1 . . . parsed_6bx9 1 16 1 . . . parsed_6bx9 1 17 1 . . . parsed_6bx9 1 18 1 . . . parsed_6bx9 1 19 1 . . . parsed_6bx9 1 20 1 . . . parsed_6bx9 1 21 1 . . . parsed_6bx9 1 22 1 . . . parsed_6bx9 1 23 1 . . . parsed_6bx9 1 24 1 . . . parsed_6bx9 1 25 1 . . . parsed_6bx9 1 26 1 . . . parsed_6bx9 1 27 1 . . . parsed_6bx9 1 28 1 . . . parsed_6bx9 1 29 1 . . . parsed_6bx9 1 30 1 . . . parsed_6bx9 1 31 1 . . . parsed_6bx9 1 32 1 . . . parsed_6bx9 1 33 1 . . . parsed_6bx9 1 34 1 . . . parsed_6bx9 1 35 1 . . . parsed_6bx9 1 36 1 . . . parsed_6bx9 1 37 1 . . . parsed_6bx9 1 38 1 . . . parsed_6bx9 1 39 1 . . . parsed_6bx9 1 40 1 . . . parsed_6bx9 1 41 1 . . . parsed_6bx9 1 42 1 . . . parsed_6bx9 1 43 1 . . . parsed_6bx9 1 44 1 . . . parsed_6bx9 1 45 1 . . . parsed_6bx9 1 46 1 . . . parsed_6bx9 1 47 1 . . . parsed_6bx9 1 48 1 . . . parsed_6bx9 1 49 1 . . . parsed_6bx9 1 50 1 . . . parsed_6bx9 1 51 1 . . . parsed_6bx9 1 52 1 . . . parsed_6bx9 1 53 1 . . . parsed_6bx9 1 54 1 . . . parsed_6bx9 1 55 1 . . . parsed_6bx9 1 56 1 . . . parsed_6bx9 1 57 1 . . . parsed_6bx9 1 58 1 . . . parsed_6bx9 1 59 1 . . . parsed_6bx9 1 60 1 . . . parsed_6bx9 1 61 1 . . . parsed_6bx9 1 62 1 . . . parsed_6bx9 1 63 1 . . . parsed_6bx9 1 64 1 . . . parsed_6bx9 1 65 1 . . . parsed_6bx9 1 66 1 . . . parsed_6bx9 1 67 1 . . . parsed_6bx9 1 68 1 . . . parsed_6bx9 1 69 1 . . . parsed_6bx9 1 70 1 . . . parsed_6bx9 1 71 1 . . . parsed_6bx9 1 72 1 . . . parsed_6bx9 1 73 1 . . . parsed_6bx9 1 74 1 . . . parsed_6bx9 1 75 1 . . . parsed_6bx9 1 76 1 . . . parsed_6bx9 1 77 1 . . . parsed_6bx9 1 78 1 . . . parsed_6bx9 1 79 1 . . . parsed_6bx9 1 80 1 . . . parsed_6bx9 1 81 1 . . . parsed_6bx9 1 82 1 . . . parsed_6bx9 1 83 1 . . . parsed_6bx9 1 84 1 . . . parsed_6bx9 1 85 1 . . . parsed_6bx9 1 86 1 . . . parsed_6bx9 1 87 1 . . . parsed_6bx9 1 88 1 . . . parsed_6bx9 1 89 1 . . . parsed_6bx9 1 90 1 . . . parsed_6bx9 1 91 1 . . . parsed_6bx9 1 92 1 . . . parsed_6bx9 1 93 1 . . . parsed_6bx9 1 94 1 . . . parsed_6bx9 1 95 1 . . . parsed_6bx9 1 96 1 . . . parsed_6bx9 1 97 1 . . . parsed_6bx9 1 98 1 . . . parsed_6bx9 1 99 1 . . . parsed_6bx9 1 100 1 . . . parsed_6bx9 1 101 1 . . . parsed_6bx9 1 102 1 . . . parsed_6bx9 1 103 1 . . . parsed_6bx9 1 104 1 . . . parsed_6bx9 1 105 1 . . . parsed_6bx9 1 106 1 . . . parsed_6bx9 1 107 1 . . . parsed_6bx9 1 108 1 . . . parsed_6bx9 1 109 1 . . . parsed_6bx9 1 110 1 . . . parsed_6bx9 1 111 1 . . . parsed_6bx9 1 112 1 . . . parsed_6bx9 1 113 1 . . . parsed_6bx9 1 114 1 . . . parsed_6bx9 1 115 1 . . . parsed_6bx9 1 116 1 . . . parsed_6bx9 1 117 1 . . . parsed_6bx9 1 118 1 . . . parsed_6bx9 1 119 1 . . . parsed_6bx9 1 120 1 . . . parsed_6bx9 1 121 1 . . . parsed_6bx9 1 122 1 . . . parsed_6bx9 1 123 1 . . . parsed_6bx9 1 124 1 . . . parsed_6bx9 1 125 1 . . . parsed_6bx9 1 126 1 . . . parsed_6bx9 1 127 1 . . . parsed_6bx9 1 128 1 . . . parsed_6bx9 1 129 1 . . . parsed_6bx9 1 130 1 . . . parsed_6bx9 1 131 1 . . . parsed_6bx9 1 132 1 . . . parsed_6bx9 1 133 1 . . . parsed_6bx9 1 134 1 . . . parsed_6bx9 1 135 1 . . . parsed_6bx9 1 136 1 . . . parsed_6bx9 1 137 1 . . . parsed_6bx9 1 138 1 . . . parsed_6bx9 1 139 1 . . . parsed_6bx9 1 140 1 . . . parsed_6bx9 1 141 1 . . . parsed_6bx9 1 142 1 . . . parsed_6bx9 1 143 1 . . . parsed_6bx9 1 144 1 . . . parsed_6bx9 1 145 1 . . . parsed_6bx9 1 146 1 . . . parsed_6bx9 1 147 1 . . . parsed_6bx9 1 148 1 . . . parsed_6bx9 1 149 1 . . . parsed_6bx9 1 150 1 . . . parsed_6bx9 1 151 1 . . . parsed_6bx9 1 152 1 . . . parsed_6bx9 1 153 1 . . . parsed_6bx9 1 154 1 . . . parsed_6bx9 1 155 1 . . . parsed_6bx9 1 156 1 . . . parsed_6bx9 1 157 1 . . . parsed_6bx9 1 158 1 . . . parsed_6bx9 1 159 1 . . . parsed_6bx9 1 160 1 . . . parsed_6bx9 1 161 1 . . . parsed_6bx9 1 162 1 . . . parsed_6bx9 1 163 1 . . . parsed_6bx9 1 164 1 . . . parsed_6bx9 1 165 1 . . . parsed_6bx9 1 166 1 . . . parsed_6bx9 1 167 1 . . . parsed_6bx9 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_6bx9 1 1 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1 2 1 1 . . . . . . . . . 2 . HB1 parsed_6bx9 1 2 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1 3 1 1 . . . . . . . . . 2 . HB2 parsed_6bx9 1 3 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1 4 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1 4 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1 5 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1 5 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1 6 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1 6 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1 7 1 1 . . . . . . . . . 3 . HA parsed_6bx9 1 7 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1 8 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1 8 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1 9 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1 9 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 10 1 1 . . . . . . . . . 4 . HB# parsed_6bx9 1 10 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 11 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1 11 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 12 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1 12 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 13 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1 13 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 14 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1 14 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 15 1 1 . . . . . . . . . 4 . HB# parsed_6bx9 1 15 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 16 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 16 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 17 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1 17 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 18 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1 18 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 19 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 19 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1 20 1 1 . . . . . . . . . 6 . HB2 parsed_6bx9 1 20 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1 21 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1 21 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1 22 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1 22 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1 23 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1 23 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 24 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1 24 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 25 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1 25 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 26 1 1 . . . . . . . . . 7 . HB2 parsed_6bx9 1 26 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 27 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1 27 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 28 1 1 . . . . . . . . . 6 . HB2 parsed_6bx9 1 28 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 29 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1 29 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 30 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1 30 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 31 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1 31 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 32 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1 32 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 33 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 33 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 34 1 1 . . . . . . . . . 8 . HG1 parsed_6bx9 1 34 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 35 1 1 . . . . . . . . . 8 . HG2 parsed_6bx9 1 35 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 36 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 36 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1 37 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1 37 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 38 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 38 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 39 1 1 . . . . . . . . . 8 . HB# parsed_6bx9 1 39 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 40 1 1 . . . . . . . . . 8 . HG# parsed_6bx9 1 40 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 41 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1 41 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 42 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1 42 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 43 1 1 . . . . . . . . . 9 . HE# parsed_6bx9 1 43 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 44 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1 44 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 45 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1 45 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 46 1 1 . . . . . . . . . 9 . HD# parsed_6bx9 1 46 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1 47 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1 47 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 48 1 1 . . . . . . . . . 10 . HA parsed_6bx9 1 48 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 49 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1 49 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 50 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1 50 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 51 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 51 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 52 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1 52 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 53 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1 53 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 54 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1 54 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 55 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1 55 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 56 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 56 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 57 1 1 . . . . . . . . . 12 . HB# parsed_6bx9 1 57 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 58 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1 58 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 59 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1 59 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 60 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1 60 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 61 1 1 . . . . . . . . . 11 . HB2 parsed_6bx9 1 61 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 62 1 1 . . . . . . . . . 12 . HD1# parsed_6bx9 1 62 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 63 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1 63 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 64 1 1 . . . . . . . . . 13 . HB# parsed_6bx9 1 64 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 65 1 1 . . . . . . . . . 13 . HG# parsed_6bx9 1 65 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 66 1 1 . . . . . . . . . 14 . HA parsed_6bx9 1 66 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 67 1 1 . . . . . . . . . 14 . HB1 parsed_6bx9 1 67 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 68 1 1 . . . . . . . . . 14 . HB2 parsed_6bx9 1 68 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 69 1 1 . . . . . . . . . 12 . HD1# parsed_6bx9 1 69 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 70 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1 70 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1 71 1 1 . . . . . . . . . 14 . HA parsed_6bx9 1 71 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1 72 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1 72 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1 73 1 1 . . . . . . . . . 15 . HB1 parsed_6bx9 1 73 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1 74 1 1 . . . . . . . . . 15 . HB2 parsed_6bx9 1 74 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1 75 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1 75 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1 76 1 1 . . . . . . . . . 2 . HN parsed_6bx9 1 76 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1 77 1 1 . . . . . . . . . 3 . HN parsed_6bx9 1 77 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 78 1 1 . . . . . . . . . 4 . HN parsed_6bx9 1 78 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1 79 1 1 . . . . . . . . . 5 . HN parsed_6bx9 1 79 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1 80 1 1 . . . . . . . . . 6 . HN parsed_6bx9 1 80 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1 81 1 1 . . . . . . . . . 9 . HN parsed_6bx9 1 81 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1 82 1 1 . . . . . . . . . 2 . HN parsed_6bx9 1 82 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1 83 1 1 . . . . . . . . . 9 . HN parsed_6bx9 1 83 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1 84 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1 84 1 2 . . . . . . . . . 1 . HB1 parsed_6bx9 1 85 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1 85 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 86 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1 86 1 2 . . . . . . . . . 2 . HB1 parsed_6bx9 1 87 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1 87 1 2 . . . . . . . . . 2 . HB2 parsed_6bx9 1 88 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1 88 1 2 . . . . . . . . . 4 . HB# parsed_6bx9 1 89 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 89 1 2 . . . . . . . . . 5 . HB# parsed_6bx9 1 90 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1 90 1 2 . . . . . . . . . 7 . HB1 parsed_6bx9 1 91 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1 91 1 2 . . . . . . . . . 7 . HB2 parsed_6bx9 1 92 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 92 1 2 . . . . . . . . . 8 . HB1 parsed_6bx9 1 93 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 93 1 2 . . . . . . . . . 8 . HB# parsed_6bx9 1 94 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1 94 1 2 . . . . . . . . . 9 . HB# parsed_6bx9 1 95 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1 95 1 2 . . . . . . . . . 11 . HB1 parsed_6bx9 1 96 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1 96 1 2 . . . . . . . . . 11 . HB2 parsed_6bx9 1 97 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 97 1 2 . . . . . . . . . 12 . HB1 parsed_6bx9 1 98 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 98 1 2 . . . . . . . . . 12 . HB2 parsed_6bx9 1 99 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1 99 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 100 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1 100 1 2 . . . . . . . . . 1 . HB# parsed_6bx9 1 101 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1 101 1 2 . . . . . . . . . 15 . HB1 parsed_6bx9 1 102 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1 102 1 2 . . . . . . . . . 15 . HB2 parsed_6bx9 1 103 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1 103 1 2 . . . . . . . . . 1 . HB2 parsed_6bx9 1 104 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 104 1 2 . . . . . . . . . 12 . HB# parsed_6bx9 1 105 1 1 . . . . . . . . . 3 . HA parsed_6bx9 1 105 1 2 . . . . . . . . . 3 . HG2# parsed_6bx9 1 106 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 106 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1 107 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 107 1 2 . . . . . . . . . 12 . HG parsed_6bx9 1 108 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1 108 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1 109 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1 109 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1 110 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 110 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1 111 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 111 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1 112 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 112 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1 113 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 113 1 2 . . . . . . . . . 8 . HD# parsed_6bx9 1 114 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1 114 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 115 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 115 1 2 . . . . . . . . . 12 . HD1# parsed_6bx9 1 116 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1 116 1 2 . . . . . . . . . 12 . HD2# parsed_6bx9 1 117 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1 117 1 2 . . . . . . . . . 12 . HD2# parsed_6bx9 1 118 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1 118 1 2 . . . . . . . . . 13 . HD# parsed_6bx9 1 119 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1 119 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1 120 1 1 . . . . . . . . . 10 . HA parsed_6bx9 1 120 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1 121 1 1 . . . . . . . . . 1 . HB1 parsed_6bx9 1 121 1 2 . . . . . . . . . 1 . HB2 parsed_6bx9 1 122 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1 122 1 2 . . . . . . . . . 7 . HB2 parsed_6bx9 1 123 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1 123 1 2 . . . . . . . . . 8 . HB2 parsed_6bx9 1 124 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1 124 1 2 . . . . . . . . . 9 . HB2 parsed_6bx9 1 125 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1 125 1 2 . . . . . . . . . 10 . HB2 parsed_6bx9 1 126 1 1 . . . . . . . . . 14 . HB1 parsed_6bx9 1 126 1 2 . . . . . . . . . 14 . HB2 parsed_6bx9 1 127 1 1 . . . . . . . . . 15 . HB1 parsed_6bx9 1 127 1 2 . . . . . . . . . 15 . HB2 parsed_6bx9 1 128 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1 128 1 2 . . . . . . . . . 14 . HB2 parsed_6bx9 1 129 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1 129 1 2 . . . . . . . . . 13 . HB2 parsed_6bx9 1 130 1 1 . . . . . . . . . 1 . HB1 parsed_6bx9 1 130 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 131 1 1 . . . . . . . . . 1 . HB2 parsed_6bx9 1 131 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 132 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1 132 1 2 . . . . . . . . . 15 . HB# parsed_6bx9 1 133 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1 133 1 2 . . . . . . . . . 10 . HB# parsed_6bx9 1 134 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1 134 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1 135 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1 135 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1 136 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1 136 1 2 . . . . . . . . . 3 . HG2# parsed_6bx9 1 137 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1 137 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1 138 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1 138 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1 139 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1 139 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1 140 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1 140 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1 141 1 1 . . . . . . . . . 13 . HG# parsed_6bx9 1 141 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 142 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1 142 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1 143 1 1 . . . . . . . . . 2 . HB# parsed_6bx9 1 143 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1 144 1 1 . . . . . . . . . 10 . HB# parsed_6bx9 1 144 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1 145 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 145 1 2 . . . . . . . . . 8 . HB1 parsed_6bx9 1 146 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 146 1 2 . . . . . . . . . 8 . HB2 parsed_6bx9 1 147 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1 147 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1 148 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1 148 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 149 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1 149 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 150 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1 150 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1 151 1 1 . . . . . . . . . 13 . HD# parsed_6bx9 1 151 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1 152 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1 152 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1 153 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 153 1 2 . . . . . . . . . 12 . HB# parsed_6bx9 1 154 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1 154 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1 155 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1 155 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1 156 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1 156 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1 157 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1 157 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1 158 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1 158 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1 159 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 159 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1 160 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1 160 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1 161 1 1 . . . . . . . . . 13 . HD2 parsed_6bx9 1 161 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1 162 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1 162 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1 163 1 1 . . . . . . . . . 13 . HD2 parsed_6bx9 1 163 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1 164 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1 164 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1 165 1 1 . . . . . . . . . 8 . HG1 parsed_6bx9 1 165 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1 166 1 1 . . . . . . . . . 13 . HG1 parsed_6bx9 1 166 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1 167 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1 167 1 2 . . . . . . . . . 13 . HD2 parsed_6bx9 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 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 2 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 3 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 4 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 5 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 6 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 7 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 8 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 9 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 10 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 11 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 12 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 13 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 14 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 15 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 16 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 17 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 18 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 19 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 20 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 21 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 22 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 23 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 24 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 25 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 26 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 27 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 28 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 29 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 30 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 31 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 32 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 33 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 34 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 35 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 36 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 37 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 38 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 39 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 40 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 41 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 42 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 43 1 . . . . . 2.5 -0.2 4.7 parsed_6bx9 1 44 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 45 1 . . . . . 4.0 0.8 7.4 parsed_6bx9 1 46 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 47 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 48 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 49 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 50 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 51 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 52 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 53 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 54 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 55 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 56 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 57 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 58 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 59 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 60 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 61 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 62 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 63 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 64 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 65 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 66 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 67 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 68 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 69 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 70 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 71 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 72 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 73 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 74 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 75 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 76 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 77 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 78 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 79 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 80 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 81 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 82 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 83 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 84 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 85 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 86 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 87 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 88 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 89 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 90 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 91 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 92 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 93 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 94 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 95 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 96 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 97 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 98 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 99 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 100 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 101 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 102 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 103 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 104 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 105 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 106 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 107 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 108 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 109 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 110 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 111 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 112 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 113 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 114 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 115 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 116 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 117 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 118 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 119 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 120 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 121 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 122 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 123 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 124 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 125 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 126 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 127 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 128 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 129 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 130 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 131 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 132 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 133 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 134 1 . . . . . 2.5 0.8 3.7 parsed_6bx9 1 135 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 136 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 137 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 138 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 139 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 140 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 141 1 . . . . . 3.0 0.6 4.7 parsed_6bx9 1 142 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 143 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 144 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 145 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 146 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 147 1 . . . . . 3.0 0.2 5.1 parsed_6bx9 1 148 1 . . . . . 3.0 -0.2 5.5 parsed_6bx9 1 149 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 150 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1 151 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 152 1 . . . . . 4.0 0.6 6.2 parsed_6bx9 1 153 1 . . . . . 4.0 0.6 6.2 parsed_6bx9 1 154 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1 155 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 156 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 157 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 158 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1 159 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 160 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 161 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1 162 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 163 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1 164 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1 165 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 166 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1 167 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 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 set message=off echo=off end CYS 2 ; 2 1 5 7 parsed_6bx9 1 2 "THR 3" 12 1 12 7 parsed_6bx9 1 3 "ALA 4" 17 1 17 7 parsed_6bx9 1 4 "LEU 5" 24 1 24 7 parsed_6bx9 1 5 "CYS 6" 31 1 31 7 parsed_6bx9 1 6 "SER 7" 37 1 37 7 parsed_6bx9 1 7 "ARG 8" 47 1 47 7 parsed_6bx9 1 8 "TYR 9" 55 1 55 7 parsed_6bx9 1 9 "HIS 10" 67 1 67 8 parsed_6bx9 1 10 "LEU 12" 78 1 78 8 parsed_6bx9 1 11 "CYS 15" 95 1 95 8 parsed_6bx9 1 12 NH(i)-NH(i+1) 102 1 102 15 parsed_6bx9 1 13 NH(i)-NH(i+2) 110 1 110 15 parsed_6bx9 1 14 CaH-CbH 114 1 114 9 parsed_6bx9 1 15 CaH-CgH 137 1 137 9 parsed_6bx9 1 16 CaH-CdH 146 1 146 9 parsed_6bx9 1 17 CbH-CbH 157 1 157 9 parsed_6bx9 1 18 CbH-CgH 172 1 172 9 parsed_6bx9 1 19 CbH-CdH 185 1 185 9 parsed_6bx9 1 20 CgH-CdH 199 1 199 9 parsed_6bx9 1 21 CgH-CgH 209 1 209 9 parsed_6bx9 1 22 CdH-CdH 213 1 213 9 parsed_6bx9 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: restraints.tbl" 1 1 1 35 parsed_6bx9 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6bx9 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6bx9 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_6bx9 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_6bx9 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_6bx9 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_6bx9 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 ! Phi restraints: minimum deviation = 30 degrees ! Y9 ; 1 1 4 11 parsed_6bx9 1 2 "! C6" 7 3 7 12 parsed_6bx9 1 3 "! S7" 10 3 10 11 parsed_6bx9 1 4 "! L5" 13 3 13 12 parsed_6bx9 1 5 "! T3" 16 3 16 12 parsed_6bx9 1 6 "message=on echo=on" 21 1 21 26 parsed_6bx9 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 end 19 1 19 3 parsed_6bx9 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6bx9 _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_6bx9 2 2 1 . . . parsed_6bx9 2 3 1 . . . parsed_6bx9 2 4 1 . . . parsed_6bx9 2 5 1 . . . parsed_6bx9 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 . . . . . . . . . 12 . N parsed_6bx9 2 1 1 2 . . . . . . . . . 10 . O parsed_6bx9 2 2 1 1 . . . . . . . . . 6 . N parsed_6bx9 2 2 1 2 . . . . . . . . . 4 . O parsed_6bx9 2 3 1 1 . . . . . . . . . 5 . N parsed_6bx9 2 3 1 2 . . . . . . . . . 3 . OG1 parsed_6bx9 2 4 1 1 . . . . . . . . . 15 . N parsed_6bx9 2 4 1 2 . . . . . . . . . 4 . O parsed_6bx9 2 5 1 1 . . . . . . . . . 14 . N parsed_6bx9 2 5 1 2 . . . . . . . . . 13 . O parsed_6bx9 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 . . . . . 2.8 2.4 3.3 parsed_6bx9 2 2 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2 3 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2 4 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2 5 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 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 restraints" 1 1 1 19 parsed_6bx9 2 stop_ save_
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