NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
641537 | 6pi3 | 30618 | cing | 2-parsed | STAR | entry | full | 188 |
data_6pi3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6pi3 _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_6pi3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6pi3 _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 6pi3 "Master copy" parsed_6pi3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6pi3 _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 6pi3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pi3 1 1 6pi3.mr . . XPLOR/CNS 2 distance NOE simple 154 parsed_6pi3 1 1 6pi3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_6pi3 1 1 6pi3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pi3 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_6pi3 _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 ANTIMICROBIAL PROTEIN 25-JUN-19 6PI3 *TITLE NMR SOLUTION STRUCTURE OF NATIVE TACHYPLESIN III PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TACHYPLESIN-3; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: TACHYPLESIN III; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: TACHYPLEUS GIGAS; *SOURCE 4 ORGANISM_COMMON: SOUTHEAST ASIAN HORSESHOE CRAB; *SOURCE 5 ORGANISM_TAXID: 6852 *KEYWDS DEFENSE PEPTIDE, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR P.J.HARVEY,S.TROEIRA HENRIQUES,F.VERNEN *REVDAT 1 11-SEP-19 6PI3 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6pi3 _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_6pi3 1 2 1 . . . parsed_6pi3 1 3 1 . . . parsed_6pi3 1 4 1 . . . parsed_6pi3 1 5 1 . . . parsed_6pi3 1 6 1 . . . parsed_6pi3 1 7 1 . . . parsed_6pi3 1 8 1 . . . parsed_6pi3 1 9 1 . . . parsed_6pi3 1 10 1 . . . parsed_6pi3 1 11 1 . . . parsed_6pi3 1 12 1 . . . parsed_6pi3 1 13 1 . . . parsed_6pi3 1 14 1 . . . parsed_6pi3 1 15 1 . . . parsed_6pi3 1 16 1 . . . parsed_6pi3 1 17 1 . . . parsed_6pi3 1 18 1 . . . parsed_6pi3 1 19 1 . . . parsed_6pi3 1 20 1 . . . parsed_6pi3 1 21 1 . . . parsed_6pi3 1 22 1 . . . parsed_6pi3 1 23 1 . . . parsed_6pi3 1 24 1 . . . parsed_6pi3 1 25 1 . . . parsed_6pi3 1 26 1 . . . parsed_6pi3 1 27 1 . . . parsed_6pi3 1 28 1 . . . parsed_6pi3 1 29 1 . . . parsed_6pi3 1 30 1 . . . parsed_6pi3 1 31 1 . . . parsed_6pi3 1 32 1 . . . parsed_6pi3 1 33 1 . . . parsed_6pi3 1 34 1 . . . parsed_6pi3 1 35 1 . . . parsed_6pi3 1 36 1 . . . parsed_6pi3 1 37 1 . . . parsed_6pi3 1 38 1 . . . parsed_6pi3 1 39 1 . . . parsed_6pi3 1 40 1 . . . parsed_6pi3 1 41 1 . . . parsed_6pi3 1 42 1 . . . parsed_6pi3 1 43 1 . . . parsed_6pi3 1 44 1 . . . parsed_6pi3 1 45 1 . . . parsed_6pi3 1 46 1 . . . parsed_6pi3 1 47 1 . . . parsed_6pi3 1 48 1 . . . parsed_6pi3 1 49 1 . . . parsed_6pi3 1 50 1 . . . parsed_6pi3 1 51 1 . . . parsed_6pi3 1 52 1 . . . parsed_6pi3 1 53 1 . . . parsed_6pi3 1 54 1 . . . parsed_6pi3 1 55 1 . . . parsed_6pi3 1 56 1 . . . parsed_6pi3 1 57 1 . . . parsed_6pi3 1 58 1 . . . parsed_6pi3 1 59 1 . . . parsed_6pi3 1 60 1 . . . parsed_6pi3 1 61 1 . . . parsed_6pi3 1 62 1 . . . parsed_6pi3 1 63 1 . . . parsed_6pi3 1 64 1 . . . parsed_6pi3 1 65 1 . . . parsed_6pi3 1 66 1 . . . parsed_6pi3 1 67 1 . . . parsed_6pi3 1 68 1 . . . parsed_6pi3 1 69 1 . . . parsed_6pi3 1 70 1 . . . parsed_6pi3 1 71 1 . . . parsed_6pi3 1 72 1 . . . parsed_6pi3 1 73 1 . . . parsed_6pi3 1 74 1 . . . parsed_6pi3 1 75 1 . . . parsed_6pi3 1 76 1 . . . parsed_6pi3 1 77 1 . . . parsed_6pi3 1 78 1 . . . parsed_6pi3 1 79 1 . . . parsed_6pi3 1 80 1 . . . parsed_6pi3 1 81 1 . . . parsed_6pi3 1 82 1 . . . parsed_6pi3 1 83 1 . . . parsed_6pi3 1 84 1 . . . parsed_6pi3 1 85 1 . . . parsed_6pi3 1 86 1 . . . parsed_6pi3 1 87 1 . . . parsed_6pi3 1 88 1 . . . parsed_6pi3 1 89 1 . . . parsed_6pi3 1 90 1 . . . parsed_6pi3 1 91 1 . . . parsed_6pi3 1 92 1 . . . parsed_6pi3 1 93 1 . . . parsed_6pi3 1 94 1 . . . parsed_6pi3 1 95 1 . . . parsed_6pi3 1 96 1 . . . parsed_6pi3 1 97 1 . . . parsed_6pi3 1 98 1 . . . parsed_6pi3 1 99 1 . . . parsed_6pi3 1 100 1 . . . parsed_6pi3 1 101 1 . . . parsed_6pi3 1 102 1 . . . parsed_6pi3 1 103 1 . . . parsed_6pi3 1 104 1 . . . parsed_6pi3 1 105 1 . . . parsed_6pi3 1 106 1 . . . parsed_6pi3 1 107 1 . . . parsed_6pi3 1 108 1 . . . parsed_6pi3 1 109 1 . . . parsed_6pi3 1 110 1 . . . parsed_6pi3 1 111 1 . . . parsed_6pi3 1 112 1 . . . parsed_6pi3 1 113 1 . . . parsed_6pi3 1 114 1 . . . parsed_6pi3 1 115 1 . . . parsed_6pi3 1 116 1 . . . parsed_6pi3 1 117 1 . . . parsed_6pi3 1 118 1 . . . parsed_6pi3 1 119 1 . . . parsed_6pi3 1 120 1 . . . parsed_6pi3 1 121 1 . . . parsed_6pi3 1 122 1 . . . parsed_6pi3 1 123 1 . . . parsed_6pi3 1 124 1 . . . parsed_6pi3 1 125 1 . . . parsed_6pi3 1 126 1 . . . parsed_6pi3 1 127 1 . . . parsed_6pi3 1 128 1 . . . parsed_6pi3 1 129 1 . . . parsed_6pi3 1 130 1 . . . parsed_6pi3 1 131 1 . . . parsed_6pi3 1 132 1 . . . parsed_6pi3 1 133 1 . . . parsed_6pi3 1 134 1 . . . parsed_6pi3 1 135 1 . . . parsed_6pi3 1 136 1 . . . parsed_6pi3 1 137 1 . . . parsed_6pi3 1 138 1 . . . parsed_6pi3 1 139 1 . . . parsed_6pi3 1 140 1 . . . parsed_6pi3 1 141 1 . . . parsed_6pi3 1 142 1 . . . parsed_6pi3 1 143 1 . . . parsed_6pi3 1 144 1 . . . parsed_6pi3 1 145 1 . . . parsed_6pi3 1 146 1 . . . parsed_6pi3 1 147 1 . . . parsed_6pi3 1 148 1 . . . parsed_6pi3 1 149 1 . . . parsed_6pi3 1 150 1 . . . parsed_6pi3 1 151 1 . . . parsed_6pi3 1 152 1 . . . parsed_6pi3 1 153 1 . . . parsed_6pi3 1 154 1 . . . parsed_6pi3 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 . . . . . . . . . 10 . HN parsed_6pi3 1 1 1 2 . . . . . . . . . 11 . HN parsed_6pi3 1 2 1 1 . . . . . . . . . 11 . HB parsed_6pi3 1 2 1 2 . . . . . . . . . 11 . HD1# parsed_6pi3 1 3 1 1 . . . . . . . . . 11 . HA parsed_6pi3 1 3 1 2 . . . . . . . . . 11 . HD1# parsed_6pi3 1 4 1 1 . . . . . . . . . 11 . HA parsed_6pi3 1 4 1 2 . . . . . . . . . 11 . HG2# parsed_6pi3 1 5 1 1 . . . . . . . . . 4 . HB2 parsed_6pi3 1 5 1 2 . . . . . . . . . 6 . HA parsed_6pi3 1 6 1 1 . . . . . . . . . 11 . HN parsed_6pi3 1 6 1 2 . . . . . . . . . 11 . HB parsed_6pi3 1 7 1 1 . . . . . . . . . 11 . HN parsed_6pi3 1 7 1 2 . . . . . . . . . 11 . HG12 parsed_6pi3 1 8 1 1 . . . . . . . . . 11 . HN parsed_6pi3 1 8 1 2 . . . . . . . . . 11 . HG11 parsed_6pi3 1 9 1 1 . . . . . . . . . 11 . HN parsed_6pi3 1 9 1 2 . . . . . . . . . 11 . HD1# parsed_6pi3 1 10 1 1 . . . . . . . . . 11 . HN parsed_6pi3 1 10 1 2 . . . . . . . . . 11 . HG2# parsed_6pi3 1 11 1 1 . . . . . . . . . 8 . HB1 parsed_6pi3 1 11 1 2 . . . . . . . . . 11 . HN parsed_6pi3 1 12 1 1 . . . . . . . . . 7 . HB1 parsed_6pi3 1 12 1 2 . . . . . . . . . 11 . HN parsed_6pi3 1 13 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 13 1 2 . . . . . . . . . 11 . HN parsed_6pi3 1 14 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 14 1 2 . . . . . . . . . 11 . HN parsed_6pi3 1 15 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 15 1 2 . . . . . . . . . 12 . HA parsed_6pi3 1 16 1 1 . . . . . . . . . 12 . HN parsed_6pi3 1 16 1 2 . . . . . . . . . 12 . HB2 parsed_6pi3 1 17 1 1 . . . . . . . . . 11 . HB parsed_6pi3 1 17 1 2 . . . . . . . . . 12 . HN parsed_6pi3 1 18 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 18 1 2 . . . . . . . . . 12 . HN parsed_6pi3 1 19 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 19 1 2 . . . . . . . . . 14 . HN parsed_6pi3 1 20 1 1 . . . . . . . . . 12 . HA parsed_6pi3 1 20 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 21 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 21 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 22 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 22 1 2 . . . . . . . . . 14 . HA parsed_6pi3 1 23 1 1 . . . . . . . . . 6 . HB parsed_6pi3 1 23 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 24 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 24 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 25 1 1 . . . . . . . . . 11 . HB parsed_6pi3 1 25 1 2 . . . . . . . . . 13 . HE# parsed_6pi3 1 26 1 1 . . . . . . . . . 13 . HN parsed_6pi3 1 26 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 27 1 1 . . . . . . . . . 12 . HA parsed_6pi3 1 27 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 28 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 28 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 29 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 29 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 30 1 1 . . . . . . . . . 13 . HN parsed_6pi3 1 30 1 2 . . . . . . . . . 14 . HA parsed_6pi3 1 31 1 1 . . . . . . . . . 13 . HN parsed_6pi3 1 31 1 2 . . . . . . . . . 13 . HB2 parsed_6pi3 1 32 1 1 . . . . . . . . . 13 . HN parsed_6pi3 1 32 1 2 . . . . . . . . . 13 . HB1 parsed_6pi3 1 33 1 1 . . . . . . . . . 12 . HB1 parsed_6pi3 1 33 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 34 1 1 . . . . . . . . . 6 . HB parsed_6pi3 1 34 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 35 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 35 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 36 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 36 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 37 1 1 . . . . . . . . . 8 . HD# parsed_6pi3 1 37 1 2 . . . . . . . . . 9 . HB2 parsed_6pi3 1 38 1 1 . . . . . . . . . 8 . HD# parsed_6pi3 1 38 1 2 . . . . . . . . . 9 . HG2 parsed_6pi3 1 39 1 1 . . . . . . . . . 8 . HD# parsed_6pi3 1 39 1 2 . . . . . . . . . 9 . HG1 parsed_6pi3 1 40 1 1 . . . . . . . . . 6 . HG2# parsed_6pi3 1 40 1 2 . . . . . . . . . 8 . HD# parsed_6pi3 1 41 1 1 . . . . . . . . . 8 . HE# parsed_6pi3 1 41 1 2 . . . . . . . . . 9 . HB2 parsed_6pi3 1 42 1 1 . . . . . . . . . 6 . HG1# parsed_6pi3 1 42 1 2 . . . . . . . . . 8 . HE# parsed_6pi3 1 43 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 43 1 2 . . . . . . . . . 8 . HD# parsed_6pi3 1 44 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 44 1 2 . . . . . . . . . 11 . HB parsed_6pi3 1 45 1 1 . . . . . . . . . 7 . HB1 parsed_6pi3 1 45 1 2 . . . . . . . . . 8 . HN parsed_6pi3 1 46 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 46 1 2 . . . . . . . . . 8 . HB2 parsed_6pi3 1 47 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 47 1 2 . . . . . . . . . 8 . HB1 parsed_6pi3 1 48 1 1 . . . . . . . . . 8 . HN parsed_6pi3 1 48 1 2 . . . . . . . . . 12 . HA parsed_6pi3 1 49 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 49 1 2 . . . . . . . . . 8 . HN parsed_6pi3 1 50 1 1 . . . . . . . . . 11 . HA parsed_6pi3 1 50 1 2 . . . . . . . . . 12 . HN parsed_6pi3 1 51 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 51 1 2 . . . . . . . . . 6 . HG2# parsed_6pi3 1 52 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 52 1 2 . . . . . . . . . 6 . HB parsed_6pi3 1 53 1 1 . . . . . . . . . 5 . HG2 parsed_6pi3 1 53 1 2 . . . . . . . . . 6 . HN parsed_6pi3 1 54 1 1 . . . . . . . . . 5 . HG1 parsed_6pi3 1 54 1 2 . . . . . . . . . 6 . HN parsed_6pi3 1 55 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 55 1 2 . . . . . . . . . 13 . HB2 parsed_6pi3 1 56 1 1 . . . . . . . . . 4 . HB2 parsed_6pi3 1 56 1 2 . . . . . . . . . 6 . HN parsed_6pi3 1 57 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 57 1 2 . . . . . . . . . 13 . HB1 parsed_6pi3 1 58 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 58 1 2 . . . . . . . . . 12 . HB1 parsed_6pi3 1 59 1 1 . . . . . . . . . 6 . HN parsed_6pi3 1 59 1 2 . . . . . . . . . 12 . HA parsed_6pi3 1 60 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 60 1 2 . . . . . . . . . 6 . HN parsed_6pi3 1 61 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 61 1 2 . . . . . . . . . 5 . HD2 parsed_6pi3 1 62 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 62 1 2 . . . . . . . . . 5 . HD1 parsed_6pi3 1 63 1 1 . . . . . . . . . 4 . HB2 parsed_6pi3 1 63 1 2 . . . . . . . . . 5 . HA parsed_6pi3 1 64 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 64 1 2 . . . . . . . . . 5 . HG2 parsed_6pi3 1 65 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 65 1 2 . . . . . . . . . 5 . HG1 parsed_6pi3 1 66 1 1 . . . . . . . . . 9 . HB1 parsed_6pi3 1 66 1 2 . . . . . . . . . 10 . HN parsed_6pi3 1 67 1 1 . . . . . . . . . 5 . HN parsed_6pi3 1 67 1 2 . . . . . . . . . 5 . HB2 parsed_6pi3 1 68 1 1 . . . . . . . . . 5 . HN parsed_6pi3 1 68 1 2 . . . . . . . . . 5 . HB1 parsed_6pi3 1 69 1 1 . . . . . . . . . 4 . HB2 parsed_6pi3 1 69 1 2 . . . . . . . . . 5 . HN parsed_6pi3 1 70 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 70 1 2 . . . . . . . . . 5 . HN parsed_6pi3 1 71 1 1 . . . . . . . . . 4 . HN parsed_6pi3 1 71 1 2 . . . . . . . . . 4 . HE# parsed_6pi3 1 72 1 1 . . . . . . . . . 4 . HN parsed_6pi3 1 72 1 2 . . . . . . . . . 4 . HD# parsed_6pi3 1 73 1 1 . . . . . . . . . 3 . HA parsed_6pi3 1 73 1 2 . . . . . . . . . 4 . HD# parsed_6pi3 1 74 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 74 1 2 . . . . . . . . . 15 . HD2 parsed_6pi3 1 75 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 75 1 2 . . . . . . . . . 15 . HD1 parsed_6pi3 1 76 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 76 1 2 . . . . . . . . . 6 . HB parsed_6pi3 1 77 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 77 1 2 . . . . . . . . . 15 . HB2 parsed_6pi3 1 78 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 78 1 2 . . . . . . . . . 15 . HB1 parsed_6pi3 1 79 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 79 1 2 . . . . . . . . . 6 . HG2# parsed_6pi3 1 80 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 80 1 2 . . . . . . . . . 15 . HD2 parsed_6pi3 1 81 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 81 1 2 . . . . . . . . . 15 . HD1 parsed_6pi3 1 82 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 82 1 2 . . . . . . . . . 6 . HB parsed_6pi3 1 83 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 83 1 2 . . . . . . . . . 15 . HB2 parsed_6pi3 1 84 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 84 1 2 . . . . . . . . . 15 . HB1 parsed_6pi3 1 85 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 85 1 2 . . . . . . . . . 6 . HG2# parsed_6pi3 1 86 1 1 . . . . . . . . . 3 . HA parsed_6pi3 1 86 1 2 . . . . . . . . . 4 . HN parsed_6pi3 1 87 1 1 . . . . . . . . . 4 . HN parsed_6pi3 1 87 1 2 . . . . . . . . . 4 . HB1 parsed_6pi3 1 88 1 1 . . . . . . . . . 2 . HA parsed_6pi3 1 88 1 2 . . . . . . . . . 2 . HD1 parsed_6pi3 1 89 1 1 . . . . . . . . . 2 . HB2 parsed_6pi3 1 89 1 2 . . . . . . . . . 2 . HD1 parsed_6pi3 1 90 1 1 . . . . . . . . . 3 . HA parsed_6pi3 1 90 1 2 . . . . . . . . . 4 . HE# parsed_6pi3 1 91 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 91 1 2 . . . . . . . . . 15 . HG1 parsed_6pi3 1 92 1 1 . . . . . . . . . 6 . HG2# parsed_6pi3 1 92 1 2 . . . . . . . . . 15 . HN parsed_6pi3 1 93 1 1 . . . . . . . . . 14 . HB2 parsed_6pi3 1 93 1 2 . . . . . . . . . 15 . HN parsed_6pi3 1 94 1 1 . . . . . . . . . 14 . HB1 parsed_6pi3 1 94 1 2 . . . . . . . . . 15 . HN parsed_6pi3 1 95 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 95 1 2 . . . . . . . . . 15 . HN parsed_6pi3 1 96 1 1 . . . . . . . . . 14 . HN parsed_6pi3 1 96 1 2 . . . . . . . . . 14 . HB2 parsed_6pi3 1 97 1 1 . . . . . . . . . 14 . HN parsed_6pi3 1 97 1 2 . . . . . . . . . 14 . HB1 parsed_6pi3 1 98 1 1 . . . . . . . . . 8 . HB1 parsed_6pi3 1 98 1 2 . . . . . . . . . 11 . HG2# parsed_6pi3 1 99 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 99 1 2 . . . . . . . . . 13 . HB1 parsed_6pi3 1 100 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 100 1 2 . . . . . . . . . 6 . HA parsed_6pi3 1 101 1 1 . . . . . . . . . 9 . HA parsed_6pi3 1 101 1 2 . . . . . . . . . 9 . HD2 parsed_6pi3 1 102 1 1 . . . . . . . . . 9 . HA parsed_6pi3 1 102 1 2 . . . . . . . . . 9 . HD1 parsed_6pi3 1 103 1 1 . . . . . . . . . 8 . HB2 parsed_6pi3 1 103 1 2 . . . . . . . . . 12 . HA parsed_6pi3 1 104 1 1 . . . . . . . . . 7 . HB1 parsed_6pi3 1 104 1 2 . . . . . . . . . 12 . HA parsed_6pi3 1 105 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 105 1 2 . . . . . . . . . 15 . HD2 parsed_6pi3 1 106 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 106 1 2 . . . . . . . . . 15 . HD1 parsed_6pi3 1 107 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 107 1 2 . . . . . . . . . 15 . HB2 parsed_6pi3 1 108 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 108 1 2 . . . . . . . . . 15 . HB1 parsed_6pi3 1 109 1 1 . . . . . . . . . 6 . HB parsed_6pi3 1 109 1 2 . . . . . . . . . 13 . HE# parsed_6pi3 1 110 1 1 . . . . . . . . . 6 . HG2# parsed_6pi3 1 110 1 2 . . . . . . . . . 13 . HE# parsed_6pi3 1 111 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 111 1 2 . . . . . . . . . 15 . HA parsed_6pi3 1 112 1 1 . . . . . . . . . 13 . HE# parsed_6pi3 1 112 1 2 . . . . . . . . . 15 . HA parsed_6pi3 1 113 1 1 . . . . . . . . . 13 . HA parsed_6pi3 1 113 1 2 . . . . . . . . . 13 . HD# parsed_6pi3 1 114 1 1 . . . . . . . . . 8 . HA parsed_6pi3 1 114 1 2 . . . . . . . . . 8 . HD# parsed_6pi3 1 115 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 115 1 2 . . . . . . . . . 8 . HB2 parsed_6pi3 1 116 1 1 . . . . . . . . . 7 . HA parsed_6pi3 1 116 1 2 . . . . . . . . . 12 . HB1 parsed_6pi3 1 117 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 117 1 2 . . . . . . . . . 6 . HG2# parsed_6pi3 1 118 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 118 1 2 . . . . . . . . . 15 . HD2 parsed_6pi3 1 119 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 119 1 2 . . . . . . . . . 15 . HD1 parsed_6pi3 1 120 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 120 1 2 . . . . . . . . . 15 . HG2 parsed_6pi3 1 121 1 1 . . . . . . . . . 2 . HB1 parsed_6pi3 1 121 1 2 . . . . . . . . . 2 . HD1 parsed_6pi3 1 122 1 1 . . . . . . . . . 3 . HB# parsed_6pi3 1 122 1 2 . . . . . . . . . 4 . HN parsed_6pi3 1 123 1 1 . . . . . . . . . 3 . HB# parsed_6pi3 1 123 1 2 . . . . . . . . . 14 . HB# parsed_6pi3 1 124 1 1 . . . . . . . . . 3 . HB# parsed_6pi3 1 124 1 2 . . . . . . . . . 14 . HG# parsed_6pi3 1 125 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 125 1 2 . . . . . . . . . 15 . HB# parsed_6pi3 1 126 1 1 . . . . . . . . . 4 . HD# parsed_6pi3 1 126 1 2 . . . . . . . . . 15 . HG# parsed_6pi3 1 127 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 127 1 2 . . . . . . . . . 15 . HG# parsed_6pi3 1 128 1 1 . . . . . . . . . 4 . HE# parsed_6pi3 1 128 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 129 1 1 . . . . . . . . . 5 . HA parsed_6pi3 1 129 1 2 . . . . . . . . . 5 . HD# parsed_6pi3 1 130 1 1 . . . . . . . . . 5 . HB# parsed_6pi3 1 130 1 2 . . . . . . . . . 5 . HG# parsed_6pi3 1 131 1 1 . . . . . . . . . 5 . HB# parsed_6pi3 1 131 1 2 . . . . . . . . . 5 . HD# parsed_6pi3 1 132 1 1 . . . . . . . . . 5 . HB# parsed_6pi3 1 132 1 2 . . . . . . . . . 6 . HN parsed_6pi3 1 133 1 1 . . . . . . . . . 5 . HG# parsed_6pi3 1 133 1 2 . . . . . . . . . 13 . HN parsed_6pi3 1 134 1 1 . . . . . . . . . 6 . HG1# parsed_6pi3 1 134 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 135 1 1 . . . . . . . . . 6 . HG2# parsed_6pi3 1 135 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 136 1 1 . . . . . . . . . 8 . HB1 parsed_6pi3 1 136 1 2 . . . . . . . . . 9 . HG# parsed_6pi3 1 137 1 1 . . . . . . . . . 8 . HD# parsed_6pi3 1 137 1 2 . . . . . . . . . 9 . HG# parsed_6pi3 1 138 1 1 . . . . . . . . . 8 . HE# parsed_6pi3 1 138 1 2 . . . . . . . . . 9 . HG# parsed_6pi3 1 139 1 1 . . . . . . . . . 9 . HA parsed_6pi3 1 139 1 2 . . . . . . . . . 9 . HG# parsed_6pi3 1 140 1 1 . . . . . . . . . 9 . HA parsed_6pi3 1 140 1 2 . . . . . . . . . 9 . HD# parsed_6pi3 1 141 1 1 . . . . . . . . . 11 . HA parsed_6pi3 1 141 1 2 . . . . . . . . . 11 . HG1# parsed_6pi3 1 142 1 1 . . . . . . . . . 11 . HG2# parsed_6pi3 1 142 1 2 . . . . . . . . . 11 . HG1# parsed_6pi3 1 143 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 143 1 2 . . . . . . . . . 15 . HB# parsed_6pi3 1 144 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 144 1 2 . . . . . . . . . 15 . HG# parsed_6pi3 1 145 1 1 . . . . . . . . . 13 . HD# parsed_6pi3 1 145 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 146 1 1 . . . . . . . . . 13 . HE# parsed_6pi3 1 146 1 2 . . . . . . . . . 15 . HB# parsed_6pi3 1 147 1 1 . . . . . . . . . 13 . HE# parsed_6pi3 1 147 1 2 . . . . . . . . . 15 . HG# parsed_6pi3 1 148 1 1 . . . . . . . . . 13 . HE# parsed_6pi3 1 148 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 149 1 1 . . . . . . . . . 14 . HB# parsed_6pi3 1 149 1 2 . . . . . . . . . 15 . HN parsed_6pi3 1 150 1 1 . . . . . . . . . 15 . HN parsed_6pi3 1 150 1 2 . . . . . . . . . 15 . HB# parsed_6pi3 1 151 1 1 . . . . . . . . . 15 . HN parsed_6pi3 1 151 1 2 . . . . . . . . . 15 . HG# parsed_6pi3 1 152 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 152 1 2 . . . . . . . . . 15 . HD# parsed_6pi3 1 153 1 1 . . . . . . . . . 15 . HA parsed_6pi3 1 153 1 2 . . . . . . . . . 15 . HE# parsed_6pi3 1 154 1 1 . . . . . . . . . 15 . HB# parsed_6pi3 1 154 1 2 . . . . . . . . . 15 . HE# parsed_6pi3 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 . . . . . 2.820 1.800 3.840 parsed_6pi3 1 2 1 . . . . . 2.675 1.800 3.550 parsed_6pi3 1 3 1 . . . . . 2.560 1.800 3.320 parsed_6pi3 1 4 1 . . . . . 2.450 1.800 3.100 parsed_6pi3 1 5 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 6 1 . . . . . 2.470 1.800 3.140 parsed_6pi3 1 7 1 . . . . . 2.785 1.800 3.770 parsed_6pi3 1 8 1 . . . . . 2.785 1.800 3.770 parsed_6pi3 1 9 1 . . . . . 3.120 1.800 4.440 parsed_6pi3 1 10 1 . . . . . 2.990 1.800 4.180 parsed_6pi3 1 11 1 . . . . . 3.085 1.800 4.370 parsed_6pi3 1 12 1 . . . . . 3.510 1.800 5.220 parsed_6pi3 1 13 1 . . . . . 3.490 1.800 5.180 parsed_6pi3 1 14 1 . . . . . 2.715 1.800 3.630 parsed_6pi3 1 15 1 . . . . . 3.150 1.800 4.500 parsed_6pi3 1 16 1 . . . . . 2.595 1.800 3.390 parsed_6pi3 1 17 1 . . . . . 3.250 1.800 4.700 parsed_6pi3 1 18 1 . . . . . 2.770 1.800 3.740 parsed_6pi3 1 19 1 . . . . . 3.240 1.800 4.680 parsed_6pi3 1 20 1 . . . . . 2.910 1.800 4.020 parsed_6pi3 1 21 1 . . . . . 3.240 1.800 4.680 parsed_6pi3 1 22 1 . . . . . 2.935 1.800 4.070 parsed_6pi3 1 23 1 . . . . . 3.060 1.800 4.320 parsed_6pi3 1 24 1 . . . . . 2.705 1.800 3.610 parsed_6pi3 1 25 1 . . . . . 3.040 1.800 4.280 parsed_6pi3 1 26 1 . . . . . 2.715 1.800 3.630 parsed_6pi3 1 27 1 . . . . . 2.200 1.800 2.600 parsed_6pi3 1 28 1 . . . . . 2.775 1.800 3.750 parsed_6pi3 1 29 1 . . . . . 3.140 1.800 4.480 parsed_6pi3 1 30 1 . . . . . 3.335 1.800 4.870 parsed_6pi3 1 31 1 . . . . . 2.960 1.800 4.120 parsed_6pi3 1 32 1 . . . . . 2.695 1.800 3.590 parsed_6pi3 1 33 1 . . . . . 2.625 1.800 3.450 parsed_6pi3 1 34 1 . . . . . 3.080 1.800 4.360 parsed_6pi3 1 35 1 . . . . . 3.285 1.800 4.770 parsed_6pi3 1 36 1 . . . . . 2.585 1.800 3.370 parsed_6pi3 1 37 1 . . . . . 2.920 1.800 4.040 parsed_6pi3 1 38 1 . . . . . 3.290 1.800 4.780 parsed_6pi3 1 39 1 . . . . . 3.290 1.800 4.780 parsed_6pi3 1 40 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 41 1 . . . . . 3.440 1.800 5.080 parsed_6pi3 1 42 1 . . . . . 3.265 1.800 4.730 parsed_6pi3 1 43 1 . . . . . 3.200 1.800 4.600 parsed_6pi3 1 44 1 . . . . . 3.315 1.800 4.830 parsed_6pi3 1 45 1 . . . . . 2.820 1.800 3.840 parsed_6pi3 1 46 1 . . . . . 2.620 1.800 3.440 parsed_6pi3 1 47 1 . . . . . 2.825 1.800 3.850 parsed_6pi3 1 48 1 . . . . . 2.925 1.800 4.050 parsed_6pi3 1 49 1 . . . . . 2.285 1.800 2.770 parsed_6pi3 1 50 1 . . . . . 2.275 1.800 2.750 parsed_6pi3 1 51 1 . . . . . 2.695 1.800 3.590 parsed_6pi3 1 52 1 . . . . . 2.575 1.800 3.350 parsed_6pi3 1 53 1 . . . . . 2.940 1.800 4.080 parsed_6pi3 1 54 1 . . . . . 2.940 1.800 4.080 parsed_6pi3 1 55 1 . . . . . 3.540 1.800 5.280 parsed_6pi3 1 56 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 57 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 58 1 . . . . . 3.440 1.800 5.080 parsed_6pi3 1 59 1 . . . . . 3.235 1.800 4.670 parsed_6pi3 1 60 1 . . . . . 2.155 1.800 2.510 parsed_6pi3 1 61 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 62 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 63 1 . . . . . 3.175 1.800 4.550 parsed_6pi3 1 64 1 . . . . . 2.870 1.800 3.940 parsed_6pi3 1 65 1 . . . . . 2.870 1.800 3.940 parsed_6pi3 1 66 1 . . . . . 3.305 1.800 4.810 parsed_6pi3 1 67 1 . . . . . 2.715 1.800 3.630 parsed_6pi3 1 68 1 . . . . . 2.715 1.800 3.630 parsed_6pi3 1 69 1 . . . . . 2.525 1.800 3.250 parsed_6pi3 1 70 1 . . . . . 3.295 1.800 4.790 parsed_6pi3 1 71 1 . . . . . 3.275 1.800 4.750 parsed_6pi3 1 72 1 . . . . . 2.815 1.800 3.830 parsed_6pi3 1 73 1 . . . . . 2.870 1.800 3.940 parsed_6pi3 1 74 1 . . . . . 3.355 1.800 4.910 parsed_6pi3 1 75 1 . . . . . 3.355 1.800 4.910 parsed_6pi3 1 76 1 . . . . . 3.435 1.800 5.070 parsed_6pi3 1 77 1 . . . . . 3.230 1.800 4.660 parsed_6pi3 1 78 1 . . . . . 3.230 1.800 4.660 parsed_6pi3 1 79 1 . . . . . 2.645 1.800 3.490 parsed_6pi3 1 80 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 81 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 82 1 . . . . . 3.345 1.800 4.890 parsed_6pi3 1 83 1 . . . . . 3.475 1.800 5.150 parsed_6pi3 1 84 1 . . . . . 3.475 1.800 5.150 parsed_6pi3 1 85 1 . . . . . 2.700 1.800 3.600 parsed_6pi3 1 86 1 . . . . . 2.235 1.800 2.670 parsed_6pi3 1 87 1 . . . . . 2.560 1.800 3.320 parsed_6pi3 1 88 1 . . . . . 3.080 1.800 4.360 parsed_6pi3 1 89 1 . . . . . 2.830 1.800 3.860 parsed_6pi3 1 90 1 . . . . . 3.330 1.800 4.860 parsed_6pi3 1 91 1 . . . . . 2.915 1.800 4.030 parsed_6pi3 1 92 1 . . . . . 3.050 1.800 4.300 parsed_6pi3 1 93 1 . . . . . 3.240 1.800 4.680 parsed_6pi3 1 94 1 . . . . . 3.240 1.800 4.680 parsed_6pi3 1 95 1 . . . . . 2.920 1.800 4.040 parsed_6pi3 1 96 1 . . . . . 2.800 1.800 3.800 parsed_6pi3 1 97 1 . . . . . 2.800 1.800 3.800 parsed_6pi3 1 98 1 . . . . . 3.185 1.800 4.570 parsed_6pi3 1 99 1 . . . . . 3.180 1.800 4.560 parsed_6pi3 1 100 1 . . . . . 3.370 1.800 4.940 parsed_6pi3 1 101 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 102 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 103 1 . . . . . 3.595 1.800 5.390 parsed_6pi3 1 104 1 . . . . . 3.225 1.800 4.650 parsed_6pi3 1 105 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 106 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 107 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 108 1 . . . . . 3.650 1.800 5.500 parsed_6pi3 1 109 1 . . . . . 3.080 1.800 4.360 parsed_6pi3 1 110 1 . . . . . 2.735 1.800 3.670 parsed_6pi3 1 111 1 . . . . . 3.265 1.800 4.730 parsed_6pi3 1 112 1 . . . . . 3.380 1.800 4.960 parsed_6pi3 1 113 1 . . . . . 2.915 1.800 4.030 parsed_6pi3 1 114 1 . . . . . 2.600 1.800 3.400 parsed_6pi3 1 115 1 . . . . . 3.075 1.800 4.350 parsed_6pi3 1 116 1 . . . . . 3.295 1.800 4.790 parsed_6pi3 1 117 1 . . . . . 3.235 1.800 4.670 parsed_6pi3 1 118 1 . . . . . 3.610 1.800 5.420 parsed_6pi3 1 119 1 . . . . . 3.610 1.800 5.420 parsed_6pi3 1 120 1 . . . . . 2.915 1.800 4.030 parsed_6pi3 1 121 1 . . . . . 2.830 1.800 3.860 parsed_6pi3 1 122 1 . . . . . 2.565 1.800 3.330 parsed_6pi3 1 123 1 . . . . . 2.925 1.800 4.050 parsed_6pi3 1 124 1 . . . . . 3.090 1.800 4.380 parsed_6pi3 1 125 1 . . . . . 3.125 1.800 4.450 parsed_6pi3 1 126 1 . . . . . 3.560 1.800 5.320 parsed_6pi3 1 127 1 . . . . . 3.315 1.800 4.830 parsed_6pi3 1 128 1 . . . . . 2.985 1.800 4.170 parsed_6pi3 1 129 1 . . . . . 3.275 1.800 4.750 parsed_6pi3 1 130 1 . . . . . 2.045 1.800 2.290 parsed_6pi3 1 131 1 . . . . . 2.375 1.800 2.950 parsed_6pi3 1 132 1 . . . . . 3.000 1.800 4.200 parsed_6pi3 1 133 1 . . . . . 3.240 1.800 4.680 parsed_6pi3 1 134 1 . . . . . 3.300 1.800 4.800 parsed_6pi3 1 135 1 . . . . . 2.855 1.800 3.910 parsed_6pi3 1 136 1 . . . . . 3.130 1.800 4.460 parsed_6pi3 1 137 1 . . . . . 2.850 1.800 3.900 parsed_6pi3 1 138 1 . . . . . 3.340 1.800 4.880 parsed_6pi3 1 139 1 . . . . . 2.700 1.800 3.600 parsed_6pi3 1 140 1 . . . . . 3.290 1.800 4.780 parsed_6pi3 1 141 1 . . . . . 2.735 1.800 3.670 parsed_6pi3 1 142 1 . . . . . 2.600 1.800 3.400 parsed_6pi3 1 143 1 . . . . . 3.215 1.800 4.630 parsed_6pi3 1 144 1 . . . . . 3.570 1.800 5.340 parsed_6pi3 1 145 1 . . . . . 3.245 1.800 4.690 parsed_6pi3 1 146 1 . . . . . 3.290 1.800 4.780 parsed_6pi3 1 147 1 . . . . . 3.190 1.800 4.580 parsed_6pi3 1 148 1 . . . . . 3.075 1.800 4.350 parsed_6pi3 1 149 1 . . . . . 2.885 1.800 3.970 parsed_6pi3 1 150 1 . . . . . 2.715 1.800 3.630 parsed_6pi3 1 151 1 . . . . . 2.990 1.800 4.180 parsed_6pi3 1 152 1 . . . . . 3.265 1.800 4.730 parsed_6pi3 1 153 1 . . . . . 3.215 1.800 4.630 parsed_6pi3 1 154 1 . . . . . 3.300 1.800 4.800 parsed_6pi3 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_6pi3 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: T3restraintspdb.tbl" 1 1 1 40 parsed_6pi3 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6pi3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6pi3 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6pi3 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6pi3 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 170.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6pi3 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6pi3 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6pi3 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6pi3 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6pi3 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6pi3 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6pi3 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6pi3 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6pi3 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6pi3 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6pi3 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 70.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6pi3 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 70.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6pi3 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6pi3 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6pi3 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6pi3 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6pi3 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6pi3 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6pi3 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6pi3 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6pi3 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6pi3 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6pi3 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6pi3 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6pi3 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6pi3 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 175.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6pi3 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6pi3 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_6pi3 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_6pi3 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_6pi3 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_6pi3 1 stop_ save_
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