NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
35782 | 1ma2 | 5486 | cing | 2-parsed | STAR | entry | full | 158 |
data_1ma2_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1ma2 _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_1ma2 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1ma2 _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 1ma2 "Master copy" parsed_1ma2 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1ma2 _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 1ma2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ma2 1 1 1ma2.mr . . XPLOR/CNS 2 distance NOE simple 150 parsed_1ma2 1 1 1ma2.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 8 parsed_1ma2 1 1 1ma2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ma2 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_1ma2 _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 31-JUL-02 1MA2 *TITLE TACHYPLESIN I WILD TYPE PEPTIDE NMR STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TACHYPLESIN I; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED *SOURCE 4 USING FMOC SOLID STATE SYNTHESIS. THE SEQUENCE OF THE *SOURCE 5 PEPTIDE IS NATURALLY FOUND IN TACHYPLEUS TRIDENTATUS *SOURCE 6 (JAPANESE HORESHOE CRAB). *KEYWDS TACHYPLESIN, BETA HAIRPIN, DISULFIDE BRIDGE, ANTI-MICROBIAL *KEYWDS 2 PEPTIDE *EXPDTA NMR, 31 STRUCTURES *AUTHOR A.LAEDERACH, A.H.ANDREOTTI, D.B.FULTON *REVDAT 1 16-OCT-02 1MA2 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ma2 _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_1ma2 1 2 1 . . . parsed_1ma2 1 3 1 . . . parsed_1ma2 1 4 1 . . . parsed_1ma2 1 5 1 . . . parsed_1ma2 1 6 1 . . . parsed_1ma2 1 7 1 . . . parsed_1ma2 1 8 1 . . . parsed_1ma2 1 9 1 . . . parsed_1ma2 1 10 1 . . . parsed_1ma2 1 11 1 . . . parsed_1ma2 1 12 1 . . . parsed_1ma2 1 13 1 . . . parsed_1ma2 1 14 1 . . . parsed_1ma2 1 15 1 . . . parsed_1ma2 1 16 1 . . . parsed_1ma2 1 17 1 . . . parsed_1ma2 1 18 1 . . . parsed_1ma2 1 19 1 . . . parsed_1ma2 1 20 1 . . . parsed_1ma2 1 21 1 . . . parsed_1ma2 1 22 1 . . . parsed_1ma2 1 23 1 . . . parsed_1ma2 1 24 1 . . . parsed_1ma2 1 25 1 . . . parsed_1ma2 1 26 1 . . . parsed_1ma2 1 27 1 . . . parsed_1ma2 1 28 1 . . . parsed_1ma2 1 29 1 . . . parsed_1ma2 1 30 1 . . . parsed_1ma2 1 31 1 . . . parsed_1ma2 1 32 1 . . . parsed_1ma2 1 33 1 . . . parsed_1ma2 1 34 1 . . . parsed_1ma2 1 35 1 . . . parsed_1ma2 1 36 1 . . . parsed_1ma2 1 37 1 . . . parsed_1ma2 1 38 1 . . . parsed_1ma2 1 39 1 . . . parsed_1ma2 1 40 1 . . . parsed_1ma2 1 41 1 . . . parsed_1ma2 1 42 1 . . . parsed_1ma2 1 43 1 . . . parsed_1ma2 1 44 1 . . . parsed_1ma2 1 45 1 . . . parsed_1ma2 1 46 1 . . . parsed_1ma2 1 47 1 . . . parsed_1ma2 1 48 1 . . . parsed_1ma2 1 49 1 . . . parsed_1ma2 1 50 1 . . . parsed_1ma2 1 51 1 . . . parsed_1ma2 1 52 1 . . . parsed_1ma2 1 53 1 . . . parsed_1ma2 1 54 1 . . . parsed_1ma2 1 55 1 . . . parsed_1ma2 1 56 1 . . . parsed_1ma2 1 57 1 . . . parsed_1ma2 1 58 1 . . . parsed_1ma2 1 59 1 . . . parsed_1ma2 1 60 1 . . . parsed_1ma2 1 61 1 . . . parsed_1ma2 1 62 1 . . . parsed_1ma2 1 63 1 . . . parsed_1ma2 1 64 1 . . . parsed_1ma2 1 65 1 . . . parsed_1ma2 1 66 1 . . . parsed_1ma2 1 67 1 . . . parsed_1ma2 1 68 1 . . . parsed_1ma2 1 69 1 . . . parsed_1ma2 1 70 1 . . . parsed_1ma2 1 71 1 . . . parsed_1ma2 1 72 1 . . . parsed_1ma2 1 73 1 . . . parsed_1ma2 1 74 1 . . . parsed_1ma2 1 75 1 . . . parsed_1ma2 1 76 1 . . . parsed_1ma2 1 77 1 . . . parsed_1ma2 1 78 1 . . . parsed_1ma2 1 79 1 . . . parsed_1ma2 1 80 1 . . . parsed_1ma2 1 81 1 . . . parsed_1ma2 1 82 1 . . . parsed_1ma2 1 83 1 . . . parsed_1ma2 1 84 1 . . . parsed_1ma2 1 85 1 . . . parsed_1ma2 1 86 1 . . . parsed_1ma2 1 87 1 . . . parsed_1ma2 1 88 1 . . . parsed_1ma2 1 89 1 . . . parsed_1ma2 1 90 1 . . . parsed_1ma2 1 91 1 . . . parsed_1ma2 1 92 1 . . . parsed_1ma2 1 93 1 . . . parsed_1ma2 1 94 1 . . . parsed_1ma2 1 95 1 . . . parsed_1ma2 1 96 1 . . . parsed_1ma2 1 97 1 . . . parsed_1ma2 1 98 1 . . . parsed_1ma2 1 99 1 . . . parsed_1ma2 1 100 1 . . . parsed_1ma2 1 101 1 . . . parsed_1ma2 1 102 1 . . . parsed_1ma2 1 103 1 . . . parsed_1ma2 1 104 1 . . . parsed_1ma2 1 105 1 . . . parsed_1ma2 1 106 1 . . . parsed_1ma2 1 107 1 . . . parsed_1ma2 1 108 1 . . . parsed_1ma2 1 109 1 . . . parsed_1ma2 1 110 1 . . . parsed_1ma2 1 111 1 . . . parsed_1ma2 1 112 1 . . . parsed_1ma2 1 113 1 . . . parsed_1ma2 1 114 1 . . . parsed_1ma2 1 115 1 . . . parsed_1ma2 1 116 1 . . . parsed_1ma2 1 117 1 . . . parsed_1ma2 1 118 1 . . . parsed_1ma2 1 119 1 . . . parsed_1ma2 1 120 1 . . . parsed_1ma2 1 121 1 . . . parsed_1ma2 1 122 1 . . . parsed_1ma2 1 123 1 . . . parsed_1ma2 1 124 1 . . . parsed_1ma2 1 125 1 . . . parsed_1ma2 1 126 1 . . . parsed_1ma2 1 127 1 . . . parsed_1ma2 1 128 1 . . . parsed_1ma2 1 129 1 . . . parsed_1ma2 1 130 1 . . . parsed_1ma2 1 131 1 . . . parsed_1ma2 1 132 1 . . . parsed_1ma2 1 133 1 . . . parsed_1ma2 1 134 1 . . . parsed_1ma2 1 135 1 . . . parsed_1ma2 1 136 1 . . . parsed_1ma2 1 137 1 . . . parsed_1ma2 1 138 1 . . . parsed_1ma2 1 139 1 . . . parsed_1ma2 1 140 1 . . . parsed_1ma2 1 141 1 . . . parsed_1ma2 1 142 1 . . . parsed_1ma2 1 143 1 . . . parsed_1ma2 1 144 1 . . . parsed_1ma2 1 145 1 . . . parsed_1ma2 1 146 1 . . . parsed_1ma2 1 147 1 . . . parsed_1ma2 1 148 1 . . . parsed_1ma2 1 149 1 . . . parsed_1ma2 1 150 1 . . . parsed_1ma2 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 1 . HZ3 parsed_1ma2 1 1 1 2 . . . . . . . . . 1 . HA parsed_1ma2 1 2 1 1 . . . . . . . . . 1 . HZ3 parsed_1ma2 1 2 1 2 . . . . . . . . . 1 . HB# parsed_1ma2 1 3 1 1 . . . . . . . . . 1 . HZ3 parsed_1ma2 1 3 1 2 . . . . . . . . . 1 . HD# parsed_1ma2 1 4 1 1 . . . . . . . . . 1 . HZ3 parsed_1ma2 1 4 1 2 . . . . . . . . . 1 . HE# parsed_1ma2 1 5 1 1 . . . . . . . . . 1 . HZ3 parsed_1ma2 1 5 1 2 . . . . . . . . . 1 . HG# parsed_1ma2 1 6 1 1 . . . . . . . . . 2 . HN parsed_1ma2 1 6 1 2 . . . . . . . . . 1 . HA parsed_1ma2 1 7 1 1 . . . . . . . . . 2 . HD# parsed_1ma2 1 7 1 2 . . . . . . . . . 2 . HA parsed_1ma2 1 8 1 1 . . . . . . . . . 2 . HD# parsed_1ma2 1 8 1 2 . . . . . . . . . 2 . HB# parsed_1ma2 1 9 1 1 . . . . . . . . . 2 . HE1 parsed_1ma2 1 9 1 2 . . . . . . . . . 2 . HD# parsed_1ma2 1 10 1 1 . . . . . . . . . 2 . HN parsed_1ma2 1 10 1 2 . . . . . . . . . 2 . HA parsed_1ma2 1 11 1 1 . . . . . . . . . 2 . HN parsed_1ma2 1 11 1 2 . . . . . . . . . 2 . HB# parsed_1ma2 1 12 1 1 . . . . . . . . . 2 . HZ2 parsed_1ma2 1 12 1 2 . . . . . . . . . 2 . HH2 parsed_1ma2 1 13 1 1 . . . . . . . . . 2 . HZ3 parsed_1ma2 1 13 1 2 . . . . . . . . . 2 . HE3 parsed_1ma2 1 14 1 1 . . . . . . . . . 3 . HN parsed_1ma2 1 14 1 2 . . . . . . . . . 2 . HA parsed_1ma2 1 15 1 1 . . . . . . . . . 2 . HN parsed_1ma2 1 15 1 2 . . . . . . . . . 3 . HN parsed_1ma2 1 16 1 1 . . . . . . . . . 3 . HA parsed_1ma2 1 16 1 2 . . . . . . . . . 3 . HB# parsed_1ma2 1 17 1 1 . . . . . . . . . 3 . HA parsed_1ma2 1 17 1 2 . . . . . . . . . 3 . HB# parsed_1ma2 1 18 1 1 . . . . . . . . . 3 . HN parsed_1ma2 1 18 1 2 . . . . . . . . . 3 . HA parsed_1ma2 1 19 1 1 . . . . . . . . . 3 . HN parsed_1ma2 1 19 1 2 . . . . . . . . . 3 . HB# parsed_1ma2 1 20 1 1 . . . . . . . . . 3 . HN parsed_1ma2 1 20 1 2 . . . . . . . . . 3 . HB# parsed_1ma2 1 21 1 1 . . . . . . . . . 4 . HN parsed_1ma2 1 21 1 2 . . . . . . . . . 3 . HA parsed_1ma2 1 22 1 1 . . . . . . . . . 4 . HN parsed_1ma2 1 22 1 2 . . . . . . . . . 3 . HB# parsed_1ma2 1 23 1 1 . . . . . . . . . 4 . HD# parsed_1ma2 1 23 1 2 . . . . . . . . . 4 . HB# parsed_1ma2 1 24 1 1 . . . . . . . . . 4 . HD# parsed_1ma2 1 24 1 2 . . . . . . . . . 4 . HE# parsed_1ma2 1 25 1 1 . . . . . . . . . 4 . HN parsed_1ma2 1 25 1 2 . . . . . . . . . 4 . HA parsed_1ma2 1 26 1 1 . . . . . . . . . 4 . HN parsed_1ma2 1 26 1 2 . . . . . . . . . 4 . HB# parsed_1ma2 1 27 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 27 1 2 . . . . . . . . . 4 . HA parsed_1ma2 1 28 1 1 . . . . . . . . . 5 . HE parsed_1ma2 1 28 1 2 . . . . . . . . . 5 . HA parsed_1ma2 1 29 1 1 . . . . . . . . . 5 . HE parsed_1ma2 1 29 1 2 . . . . . . . . . 5 . HB# parsed_1ma2 1 30 1 1 . . . . . . . . . 5 . HE parsed_1ma2 1 30 1 2 . . . . . . . . . 5 . HD# parsed_1ma2 1 31 1 1 . . . . . . . . . 5 . HE parsed_1ma2 1 31 1 2 . . . . . . . . . 5 . HG# parsed_1ma2 1 32 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 32 1 2 . . . . . . . . . 5 . HA parsed_1ma2 1 33 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 33 1 2 . . . . . . . . . 5 . HB# parsed_1ma2 1 34 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 34 1 2 . . . . . . . . . 5 . HB# parsed_1ma2 1 35 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 35 1 2 . . . . . . . . . 5 . HD# parsed_1ma2 1 36 1 1 . . . . . . . . . 5 . HN parsed_1ma2 1 36 1 2 . . . . . . . . . 5 . HG# parsed_1ma2 1 37 1 1 . . . . . . . . . 6 . HN parsed_1ma2 1 37 1 2 . . . . . . . . . 5 . HA parsed_1ma2 1 38 1 1 . . . . . . . . . 6 . HN parsed_1ma2 1 38 1 2 . . . . . . . . . 5 . HG# parsed_1ma2 1 39 1 1 . . . . . . . . . 6 . HN parsed_1ma2 1 39 1 2 . . . . . . . . . 6 . HA parsed_1ma2 1 40 1 1 . . . . . . . . . 6 . HN parsed_1ma2 1 40 1 2 . . . . . . . . . 6 . HB parsed_1ma2 1 41 1 1 . . . . . . . . . 6 . HN parsed_1ma2 1 41 1 2 . . . . . . . . . 6 . hg1# parsed_1ma2 1 42 1 1 . . . . . . . . . 7 . HN parsed_1ma2 1 42 1 2 . . . . . . . . . 6 . HA parsed_1ma2 1 43 1 1 . . . . . . . . . 7 . HA parsed_1ma2 1 43 1 2 . . . . . . . . . 7 . HB# parsed_1ma2 1 44 1 1 . . . . . . . . . 7 . HA parsed_1ma2 1 44 1 2 . . . . . . . . . 7 . HB# parsed_1ma2 1 45 1 1 . . . . . . . . . 7 . HN parsed_1ma2 1 45 1 2 . . . . . . . . . 7 . HA parsed_1ma2 1 46 1 1 . . . . . . . . . 7 . HN parsed_1ma2 1 46 1 2 . . . . . . . . . 7 . HB# parsed_1ma2 1 47 1 1 . . . . . . . . . 7 . HN parsed_1ma2 1 47 1 2 . . . . . . . . . 7 . HB# parsed_1ma2 1 48 1 1 . . . . . . . . . 8 . HD# parsed_1ma2 1 48 1 2 . . . . . . . . . 6 . hg1# parsed_1ma2 1 49 1 1 . . . . . . . . . 8 . HE# parsed_1ma2 1 49 1 2 . . . . . . . . . 6 . hg1# parsed_1ma2 1 50 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 50 1 2 . . . . . . . . . 7 . HA parsed_1ma2 1 51 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 51 1 2 . . . . . . . . . 7 . HB# parsed_1ma2 1 52 1 1 . . . . . . . . . 8 . HD# parsed_1ma2 1 52 1 2 . . . . . . . . . 8 . HA parsed_1ma2 1 53 1 1 . . . . . . . . . 8 . HD# parsed_1ma2 1 53 1 2 . . . . . . . . . 8 . HB# parsed_1ma2 1 54 1 1 . . . . . . . . . 8 . HE# parsed_1ma2 1 54 1 2 . . . . . . . . . 8 . HA parsed_1ma2 1 55 1 1 . . . . . . . . . 8 . HE# parsed_1ma2 1 55 1 2 . . . . . . . . . 8 . HB# parsed_1ma2 1 56 1 1 . . . . . . . . . 8 . HD# parsed_1ma2 1 56 1 2 . . . . . . . . . 8 . HE# parsed_1ma2 1 57 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 57 1 2 . . . . . . . . . 8 . HA parsed_1ma2 1 58 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 58 1 2 . . . . . . . . . 8 . HB# parsed_1ma2 1 59 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 59 1 2 . . . . . . . . . 8 . HA parsed_1ma2 1 60 1 1 . . . . . . . . . 9 . HE parsed_1ma2 1 60 1 2 . . . . . . . . . 9 . HA parsed_1ma2 1 61 1 1 . . . . . . . . . 9 . HE parsed_1ma2 1 61 1 2 . . . . . . . . . 9 . HB# parsed_1ma2 1 62 1 1 . . . . . . . . . 9 . HE parsed_1ma2 1 62 1 2 . . . . . . . . . 9 . HB# parsed_1ma2 1 63 1 1 . . . . . . . . . 9 . HE parsed_1ma2 1 63 1 2 . . . . . . . . . 9 . HG# parsed_1ma2 1 64 1 1 . . . . . . . . . 9 . HE parsed_1ma2 1 64 1 2 . . . . . . . . . 9 . HG# parsed_1ma2 1 65 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 65 1 2 . . . . . . . . . 9 . HA parsed_1ma2 1 66 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 66 1 2 . . . . . . . . . 9 . HB# parsed_1ma2 1 67 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 67 1 2 . . . . . . . . . 9 . HB# parsed_1ma2 1 68 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 68 1 2 . . . . . . . . . 9 . HD# parsed_1ma2 1 69 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 69 1 2 . . . . . . . . . 9 . HG# parsed_1ma2 1 70 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 70 1 2 . . . . . . . . . 9 . HG# parsed_1ma2 1 71 1 1 . . . . . . . . . 10 . HN parsed_1ma2 1 71 1 2 . . . . . . . . . 9 . HA parsed_1ma2 1 72 1 1 . . . . . . . . . 9 . HN parsed_1ma2 1 72 1 2 . . . . . . . . . 10 . HN parsed_1ma2 1 73 1 1 . . . . . . . . . 10 . HN parsed_1ma2 1 73 1 2 . . . . . . . . . 10 . HA# parsed_1ma2 1 74 1 1 . . . . . . . . . 10 . HN parsed_1ma2 1 74 1 2 . . . . . . . . . 10 . HA# parsed_1ma2 1 75 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 75 1 2 . . . . . . . . . 11 . HN parsed_1ma2 1 76 1 1 . . . . . . . . . 10 . HN parsed_1ma2 1 76 1 2 . . . . . . . . . 11 . hg2# parsed_1ma2 1 77 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 77 1 2 . . . . . . . . . 10 . HA# parsed_1ma2 1 78 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 78 1 2 . . . . . . . . . 10 . HA# parsed_1ma2 1 79 1 1 . . . . . . . . . 10 . HN parsed_1ma2 1 79 1 2 . . . . . . . . . 11 . HN parsed_1ma2 1 80 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 80 1 2 . . . . . . . . . 11 . HA parsed_1ma2 1 81 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 81 1 2 . . . . . . . . . 11 . hd1# parsed_1ma2 1 82 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 82 1 2 . . . . . . . . . 11 . HG1# parsed_1ma2 1 83 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 83 1 2 . . . . . . . . . 11 . HG1# parsed_1ma2 1 84 1 1 . . . . . . . . . 11 . HN parsed_1ma2 1 84 1 2 . . . . . . . . . 11 . hg2# parsed_1ma2 1 85 1 1 . . . . . . . . . 8 . HN parsed_1ma2 1 85 1 2 . . . . . . . . . 12 . HA parsed_1ma2 1 86 1 1 . . . . . . . . . 12 . HN parsed_1ma2 1 86 1 2 . . . . . . . . . 11 . HA parsed_1ma2 1 87 1 1 . . . . . . . . . 12 . HA parsed_1ma2 1 87 1 2 . . . . . . . . . 12 . HB# parsed_1ma2 1 88 1 1 . . . . . . . . . 12 . HA parsed_1ma2 1 88 1 2 . . . . . . . . . 12 . HB# parsed_1ma2 1 89 1 1 . . . . . . . . . 12 . HN parsed_1ma2 1 89 1 2 . . . . . . . . . 12 . HA parsed_1ma2 1 90 1 1 . . . . . . . . . 12 . HN parsed_1ma2 1 90 1 2 . . . . . . . . . 12 . HB# parsed_1ma2 1 91 1 1 . . . . . . . . . 12 . HN parsed_1ma2 1 91 1 2 . . . . . . . . . 12 . HB# parsed_1ma2 1 92 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 92 1 2 . . . . . . . . . 6 . HN parsed_1ma2 1 93 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 93 1 2 . . . . . . . . . 7 . HA parsed_1ma2 1 94 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 94 1 2 . . . . . . . . . 11 . hd1# parsed_1ma2 1 95 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 95 1 2 . . . . . . . . . 11 . hg2# parsed_1ma2 1 96 1 1 . . . . . . . . . 13 . HE# parsed_1ma2 1 96 1 2 . . . . . . . . . 11 . hd1# parsed_1ma2 1 97 1 1 . . . . . . . . . 13 . HE# parsed_1ma2 1 97 1 2 . . . . . . . . . 11 . hg2# parsed_1ma2 1 98 1 1 . . . . . . . . . 12 . HN parsed_1ma2 1 98 1 2 . . . . . . . . . 13 . HA parsed_1ma2 1 99 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 99 1 2 . . . . . . . . . 12 . HA parsed_1ma2 1 100 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 100 1 2 . . . . . . . . . 12 . HB# parsed_1ma2 1 101 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 101 1 2 . . . . . . . . . 13 . HA parsed_1ma2 1 102 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 102 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 103 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 103 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 104 1 1 . . . . . . . . . 13 . HE# parsed_1ma2 1 104 1 2 . . . . . . . . . 13 . HA parsed_1ma2 1 105 1 1 . . . . . . . . . 13 . HE# parsed_1ma2 1 105 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 106 1 1 . . . . . . . . . 13 . HE# parsed_1ma2 1 106 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 107 1 1 . . . . . . . . . 13 . HD# parsed_1ma2 1 107 1 2 . . . . . . . . . 13 . HE# parsed_1ma2 1 108 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 108 1 2 . . . . . . . . . 13 . HA parsed_1ma2 1 109 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 109 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 110 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 110 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 111 1 1 . . . . . . . . . 13 . HN parsed_1ma2 1 111 1 2 . . . . . . . . . 13 . HD# parsed_1ma2 1 112 1 1 . . . . . . . . . 5 . HG# parsed_1ma2 1 112 1 2 . . . . . . . . . 14 . HB# parsed_1ma2 1 113 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 113 1 2 . . . . . . . . . 13 . HA parsed_1ma2 1 114 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 114 1 2 . . . . . . . . . 13 . HB# parsed_1ma2 1 115 1 1 . . . . . . . . . 14 . HE parsed_1ma2 1 115 1 2 . . . . . . . . . 14 . HG# parsed_1ma2 1 116 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 116 1 2 . . . . . . . . . 14 . HA parsed_1ma2 1 117 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 117 1 2 . . . . . . . . . 14 . HB# parsed_1ma2 1 118 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 118 1 2 . . . . . . . . . 14 . HB# parsed_1ma2 1 119 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 119 1 2 . . . . . . . . . 14 . HD# parsed_1ma2 1 120 1 1 . . . . . . . . . 14 . HN parsed_1ma2 1 120 1 2 . . . . . . . . . 14 . HG# parsed_1ma2 1 121 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 121 1 2 . . . . . . . . . 5 . HA parsed_1ma2 1 122 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 122 1 2 . . . . . . . . . 14 . HA parsed_1ma2 1 123 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 123 1 2 . . . . . . . . . 14 . HB# parsed_1ma2 1 124 1 1 . . . . . . . . . 15 . HE parsed_1ma2 1 124 1 2 . . . . . . . . . 15 . HA parsed_1ma2 1 125 1 1 . . . . . . . . . 15 . HE parsed_1ma2 1 125 1 2 . . . . . . . . . 15 . HD# parsed_1ma2 1 126 1 1 . . . . . . . . . 15 . HE parsed_1ma2 1 126 1 2 . . . . . . . . . 15 . HG# parsed_1ma2 1 127 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 127 1 2 . . . . . . . . . 15 . HA parsed_1ma2 1 128 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 128 1 2 . . . . . . . . . 15 . HB# parsed_1ma2 1 129 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 129 1 2 . . . . . . . . . 15 . HB# parsed_1ma2 1 130 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 130 1 2 . . . . . . . . . 15 . HD# parsed_1ma2 1 131 1 1 . . . . . . . . . 15 . HN parsed_1ma2 1 131 1 2 . . . . . . . . . 15 . HG# parsed_1ma2 1 132 1 1 . . . . . . . . . 16 . HA parsed_1ma2 1 132 1 2 . . . . . . . . . 3 . HA parsed_1ma2 1 133 1 1 . . . . . . . . . 16 . HN parsed_1ma2 1 133 1 2 . . . . . . . . . 15 . HA parsed_1ma2 1 134 1 1 . . . . . . . . . 16 . HA parsed_1ma2 1 134 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 135 1 1 . . . . . . . . . 16 . HA parsed_1ma2 1 135 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 136 1 1 . . . . . . . . . 16 . HN parsed_1ma2 1 136 1 2 . . . . . . . . . 16 . HA parsed_1ma2 1 137 1 1 . . . . . . . . . 16 . HN parsed_1ma2 1 137 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 138 1 1 . . . . . . . . . 16 . HN parsed_1ma2 1 138 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 139 1 1 . . . . . . . . . 2 . HE3 parsed_1ma2 1 139 1 2 . . . . . . . . . 17 . HA parsed_1ma2 1 140 1 1 . . . . . . . . . 2 . HZ3 parsed_1ma2 1 140 1 2 . . . . . . . . . 17 . HA parsed_1ma2 1 141 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 141 1 2 . . . . . . . . . 16 . HA parsed_1ma2 1 142 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 142 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 143 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 143 1 2 . . . . . . . . . 16 . HB# parsed_1ma2 1 144 1 1 . . . . . . . . . 17 . HE parsed_1ma2 1 144 1 2 . . . . . . . . . 17 . HA parsed_1ma2 1 145 1 1 . . . . . . . . . 17 . HE parsed_1ma2 1 145 1 2 . . . . . . . . . 17 . HB# parsed_1ma2 1 146 1 1 . . . . . . . . . 17 . HE parsed_1ma2 1 146 1 2 . . . . . . . . . 17 . HD# parsed_1ma2 1 147 1 1 . . . . . . . . . 17 . HE parsed_1ma2 1 147 1 2 . . . . . . . . . 17 . HG# parsed_1ma2 1 148 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 148 1 2 . . . . . . . . . 17 . HA parsed_1ma2 1 149 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 149 1 2 . . . . . . . . . 17 . HB# parsed_1ma2 1 150 1 1 . . . . . . . . . 17 . HN parsed_1ma2 1 150 1 2 . . . . . . . . . 17 . HD# parsed_1ma2 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 2 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 3 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 4 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 5 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 6 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 7 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 8 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 9 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 10 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 11 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 12 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 13 1 . . . . . 2.8 1.8 2.8 parsed_1ma2 1 14 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 15 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 16 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 17 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 18 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 19 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 20 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 21 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 22 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 23 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 24 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 25 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 26 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 27 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 28 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 29 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 30 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 31 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 32 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 33 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 34 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 35 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 36 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 37 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 38 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 39 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 40 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 41 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 42 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 43 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 44 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 45 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 46 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 47 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 48 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 49 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 50 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 51 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 52 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 53 1 . . . . . 2.8 1.8 2.8 parsed_1ma2 1 54 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 55 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 56 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 57 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 58 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 59 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 60 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 61 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 62 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 63 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 64 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 65 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 66 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 67 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 68 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 69 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 70 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 71 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 72 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 73 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 74 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 75 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 76 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 77 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 78 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 79 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 80 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 81 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 82 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 83 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 84 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 85 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 86 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 87 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 88 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 89 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 90 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 91 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 92 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 93 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 94 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 95 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 96 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 97 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 98 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 99 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 100 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 101 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 102 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 103 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 104 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 105 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 106 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 107 1 . . . . . 2.8 1.8 2.8 parsed_1ma2 1 108 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 109 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 110 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 111 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 112 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 113 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 114 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 115 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 116 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 117 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 118 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 119 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 120 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 121 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 122 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 123 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 124 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 125 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 126 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 127 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 128 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 129 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 130 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 131 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 132 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 133 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 134 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 135 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 136 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 137 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 138 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 139 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 140 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 141 1 . . . . . 3.4 1.8 3.4 parsed_1ma2 1 142 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 143 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 144 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 145 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 146 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 147 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 148 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 149 1 . . . . . 5 1.8 5.0 parsed_1ma2 1 150 1 . . . . . 5 1.8 5.0 parsed_1ma2 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 "#tpc4h2o0725final.0" 1 66 1 86 parsed_1ma2 1 2 "#tpc4h2o0725final.79" 2 67 2 88 parsed_1ma2 1 3 "#tpc4h2o0725final.80" 3 67 3 88 parsed_1ma2 1 4 "#tpc4h2o0725final.78" 4 67 4 88 parsed_1ma2 1 5 "#tpc4h2o0725final.81" 5 67 5 88 parsed_1ma2 1 6 "#tpc4h2o0725final.1" 6 67 6 87 parsed_1ma2 1 7 "#tpc4h2o0725final.138" 7 66 7 88 parsed_1ma2 1 8 "#tpc4h2o0725final.147" 8 67 8 89 parsed_1ma2 1 9 "#tpc4h2o0725final.35" 9 67 9 88 parsed_1ma2 1 10 "#tpc4h2o0725final.2" 10 65 10 85 parsed_1ma2 1 11 "#tpc4h2o0725final.48" 11 66 11 87 parsed_1ma2 1 12 "#tpc4h2o0725final.133" 12 67 12 89 parsed_1ma2 1 13 "#tpc4h2o0725final.132" 13 67 13 89 parsed_1ma2 1 14 "#tpc4h2o0725final.3" 14 67 14 87 parsed_1ma2 1 15 "#tpc4h2o0725final.145" 15 65 15 87 parsed_1ma2 1 16 "#tpc4h2o0725final.104" 16 66 16 88 parsed_1ma2 1 17 "#tpc4h2o0725final.103" 17 66 17 88 parsed_1ma2 1 18 "#tpc4h2o0725final.4" 18 65 18 85 parsed_1ma2 1 19 "#tpc4h2o0725final.71" 19 66 19 87 parsed_1ma2 1 20 "#tpc4h2o0725final.72" 20 66 20 87 parsed_1ma2 1 21 "#tpc4h2o0725final.5" 21 67 21 87 parsed_1ma2 1 22 "#tpc4h2o0725final.111" 22 66 22 88 parsed_1ma2 1 23 "#tpc4h2o0725final.130" 23 67 23 89 parsed_1ma2 1 24 "#tpc4h2o0725final.131" 24 69 24 91 parsed_1ma2 1 25 "#tpc4h2o0725final.6" 25 67 25 87 parsed_1ma2 1 26 "#tpc4h2o0725final.52" 26 66 26 87 parsed_1ma2 1 27 "#tpc4h2o0725final.7" 27 67 27 87 parsed_1ma2 1 28 "#tpc4h2o0725final.89" 28 65 28 86 parsed_1ma2 1 29 "#tpc4h2o0725final.88" 29 66 29 87 parsed_1ma2 1 30 "#tpc4h2o0725final.90" 30 66 30 87 parsed_1ma2 1 31 "#tpc4h2o0725final.87" 31 66 31 87 parsed_1ma2 1 32 "#tpc4h2o0725final.8" 32 65 32 85 parsed_1ma2 1 33 "#tpc4h2o0725final.66" 33 66 33 87 parsed_1ma2 1 34 "#tpc4h2o0725final.67" 34 66 34 87 parsed_1ma2 1 35 "#tpc4h2o0725final.65" 35 66 35 87 parsed_1ma2 1 36 "#tpc4h2o0725final.68" 36 66 36 87 parsed_1ma2 1 37 "#tpc4h2o0725final.9" 37 67 37 87 parsed_1ma2 1 38 "#tpc4h2o0725final.112" 38 66 38 88 parsed_1ma2 1 39 "#tpc4h2o0725final.10" 39 65 39 86 parsed_1ma2 1 40 "#tpc4h2o0725final.50" 40 65 40 86 parsed_1ma2 1 41 "#tpc4h2o0725final.49" 41 67 41 88 parsed_1ma2 1 42 "#tpc4h2o0725final.11" 42 67 42 88 parsed_1ma2 1 43 "#tpc4h2o0725final.100" 43 66 43 88 parsed_1ma2 1 44 "#tpc4h2o0725final.99" 44 66 44 87 parsed_1ma2 1 45 "#tpc4h2o0725final.12" 45 65 45 86 parsed_1ma2 1 46 "#tpc4h2o0725final.58" 46 68 46 89 parsed_1ma2 1 47 "#tpc4h2o0725final.57" 47 66 47 87 parsed_1ma2 1 48 "#tpc4h2o0725final.150" 48 68 48 90 parsed_1ma2 1 49 "#tpc4h2o0725final.151" 49 68 49 90 parsed_1ma2 1 50 "#tpc4h2o0725final.13" 50 67 50 88 parsed_1ma2 1 51 "#tpc4h2o0725final.108" 51 66 51 88 parsed_1ma2 1 52 "#tpc4h2o0725final.117" 52 66 52 88 parsed_1ma2 1 53 "#tpc4h2o0725final.120" 53 67 53 89 parsed_1ma2 1 54 "#tpc4h2o0725final.118" 54 66 54 88 parsed_1ma2 1 55 "#tpc4h2o0725final.119" 55 67 55 89 parsed_1ma2 1 56 "#tpc4h2o0725final.129" 56 69 56 91 parsed_1ma2 1 57 "#tpc4h2o0725final.14" 57 65 57 86 parsed_1ma2 1 58 "#tpc4h2o0725final.44" 58 68 58 89 parsed_1ma2 1 59 "#tpc4h2o0725final.15" 59 67 59 88 parsed_1ma2 1 60 "#tpc4h2o0725final.82" 60 65 60 86 parsed_1ma2 1 61 "#tpc4h2o0725final.83" 61 66 61 87 parsed_1ma2 1 62 "#tpc4h2o0725final.84" 62 66 62 87 parsed_1ma2 1 63 "#tpc4h2o0725final.85" 63 66 63 87 parsed_1ma2 1 64 "#tpc4h2o0725final.86" 64 66 64 87 parsed_1ma2 1 65 "#tpc4h2o0725final.16" 65 67 65 88 parsed_1ma2 1 66 "#tpc4h2o0725final.38" 66 66 66 87 parsed_1ma2 1 67 "#tpc4h2o0725final.39" 67 66 67 87 parsed_1ma2 1 68 "#tpc4h2o0725final.37" 68 66 68 87 parsed_1ma2 1 69 "#tpc4h2o0725final.40" 69 66 69 87 parsed_1ma2 1 70 "#tpc4h2o0725final.41" 70 66 70 87 parsed_1ma2 1 71 "#tpc4h2o0725final.17" 71 66 71 87 parsed_1ma2 1 72 "#tpc4h2o0725final.139" 72 66 72 88 parsed_1ma2 1 73 "#tpc4h2o0725final.18" 73 68 73 89 parsed_1ma2 1 74 "#tpc4h2o0725final.19" 74 70 74 91 parsed_1ma2 1 75 "#tpc4h2o0725final.140" 75 66 75 88 parsed_1ma2 1 76 "#tpc4h2o0725final.115" 76 69 76 91 parsed_1ma2 1 77 "#tpc4h2o0725final.21" 77 68 77 89 parsed_1ma2 1 78 "#tpc4h2o0725final.20" 78 68 78 89 parsed_1ma2 1 79 "#tpc4h2o0725final.141" 79 69 79 91 parsed_1ma2 1 80 "#tpc4h2o0725final.22" 80 67 80 88 parsed_1ma2 1 81 "#tpc4h2o0725final.77" 81 69 81 90 parsed_1ma2 1 82 "#tpc4h2o0725final.75" 82 69 82 90 parsed_1ma2 1 83 "#tpc4h2o0725final.74" 83 69 83 90 parsed_1ma2 1 84 "#tpc4h2o0725final.76" 84 69 84 90 parsed_1ma2 1 85 "#tpc4h2o0725final.156" 85 66 85 88 parsed_1ma2 1 86 "#tpc4h2o0725final.23" 86 69 86 90 parsed_1ma2 1 87 "#tpc4h2o0725final.102" 87 68 87 90 parsed_1ma2 1 88 "#tpc4h2o0725final.101" 88 68 88 90 parsed_1ma2 1 89 "#tpc4h2o0725final.24" 89 67 89 88 parsed_1ma2 1 90 "#tpc4h2o0725final.69" 90 68 90 89 parsed_1ma2 1 91 "#tpc4h2o0725final.70" 91 68 91 89 parsed_1ma2 1 92 "#tpc4h2o0725final.142" 92 66 92 88 parsed_1ma2 1 93 "#tpc4h2o0725final.25" 93 66 93 87 parsed_1ma2 1 94 "#tpc4h2o0725final.152" 94 70 94 92 parsed_1ma2 1 95 "#tpc4h2o0725final.148" 95 70 95 92 parsed_1ma2 1 96 "#tpc4h2o0725final.153" 96 70 96 92 parsed_1ma2 1 97 "#tpc4h2o0725final.149" 97 70 97 92 parsed_1ma2 1 98 "#tpc4h2o0725final.155" 98 67 98 89 parsed_1ma2 1 99 "#tpc4h2o0725final.127" 99 68 99 90 parsed_1ma2 1 100 "#tpc4h2o0725final.107" 100 68 100 90 parsed_1ma2 1 101 "#tpc4h2o0725final.126" 101 68 101 90 parsed_1ma2 1 102 "#tpc4h2o0725final.122" 102 71 102 93 parsed_1ma2 1 103 "#tpc4h2o0725final.121" 103 71 103 93 parsed_1ma2 1 104 "#tpc4h2o0725final.125" 104 68 104 90 parsed_1ma2 1 105 "#tpc4h2o0725final.124" 105 69 105 91 parsed_1ma2 1 106 "#tpc4h2o0725final.123" 106 69 106 91 parsed_1ma2 1 107 "#tpc4h2o0725final.128" 107 69 107 91 parsed_1ma2 1 108 "#tpc4h2o0725final.26" 108 67 108 88 parsed_1ma2 1 109 "#tpc4h2o0725final.42" 109 68 109 89 parsed_1ma2 1 110 "#tpc4h2o0725final.43" 110 68 110 89 parsed_1ma2 1 111 "#tpc4h2o0725final.143" 111 68 111 90 parsed_1ma2 1 112 "#tpc4h2o0725final.162" 112 68 112 90 parsed_1ma2 1 113 "#tpc4h2o0725final.27" 113 67 113 88 parsed_1ma2 1 114 "#tpc4h2o0725final.159" 114 68 114 90 parsed_1ma2 1 115 "#tpc4h2o0725final.98" 115 68 115 89 parsed_1ma2 1 116 "#tpc4h2o0725final.28" 116 67 116 88 parsed_1ma2 1 117 "#tpc4h2o0725final.62" 117 68 117 89 parsed_1ma2 1 118 "#tpc4h2o0725final.63" 118 68 118 89 parsed_1ma2 1 119 "#tpc4h2o0725final.61" 119 68 119 89 parsed_1ma2 1 120 "#tpc4h2o0725final.64" 120 68 120 89 parsed_1ma2 1 121 "#tpc4h2o0725final.158" 121 66 121 88 parsed_1ma2 1 122 "#tpc4h2o0725final.29" 122 67 122 88 parsed_1ma2 1 123 "#tpc4h2o0725final.116" 123 68 123 90 parsed_1ma2 1 124 "#tpc4h2o0725final.91" 124 67 124 88 parsed_1ma2 1 125 "#tpc4h2o0725final.92" 125 68 125 89 parsed_1ma2 1 126 "#tpc4h2o0725final.93" 126 68 126 89 parsed_1ma2 1 127 "#tpc4h2o0725final.30" 127 67 127 88 parsed_1ma2 1 128 "#tpc4h2o0725final.54" 128 68 128 89 parsed_1ma2 1 129 "#tpc4h2o0725final.55" 129 68 129 89 parsed_1ma2 1 130 "#tpc4h2o0725final.53" 130 68 130 89 parsed_1ma2 1 131 "#tpc4h2o0725final.56" 131 68 131 89 parsed_1ma2 1 132 "#tpc4h2o0725final.161" 132 66 132 88 parsed_1ma2 1 133 "#tpc4h2o0725final.31" 133 69 133 90 parsed_1ma2 1 134 "#tpc4h2o0725final.106" 134 68 134 90 parsed_1ma2 1 135 "#tpc4h2o0725final.105" 135 68 135 90 parsed_1ma2 1 136 "#tpc4h2o0725final.32" 136 67 136 88 parsed_1ma2 1 137 "#tpc4h2o0725final.59" 137 68 137 89 parsed_1ma2 1 138 "#tpc4h2o0725final.60" 138 68 138 89 parsed_1ma2 1 139 "#tpc4h2o0725final.136" 139 67 139 89 parsed_1ma2 1 140 "#tpc4h2o0725final.135" 140 67 140 89 parsed_1ma2 1 141 "#tpc4h2o0725final.33" 141 69 141 90 parsed_1ma2 1 142 "#tpc4h2o0725final.109" 142 68 142 90 parsed_1ma2 1 143 "#tpc4h2o0725final.110" 143 68 143 90 parsed_1ma2 1 144 "#tpc4h2o0725final.97" 144 67 144 88 parsed_1ma2 1 145 "#tpc4h2o0725final.95" 145 68 145 89 parsed_1ma2 1 146 "#tpc4h2o0725final.96" 146 68 146 89 parsed_1ma2 1 147 "#tpc4h2o0725final.94" 147 68 147 89 parsed_1ma2 1 148 "#tpc4h2o0725final.34" 148 67 148 88 parsed_1ma2 1 149 "#tpc4h2o0725final.46" 149 68 149 89 parsed_1ma2 1 150 "#tpc4h2o0725final.45" 150 68 150 89 parsed_1ma2 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ma2 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1ma2 2 2 1 . . . parsed_1ma2 2 3 1 . . . parsed_1ma2 2 4 1 . . . parsed_1ma2 2 5 1 . . . parsed_1ma2 2 6 1 . . . parsed_1ma2 2 7 1 . . . parsed_1ma2 2 8 1 . . . parsed_1ma2 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 . . . . . . . . . 13 . O parsed_1ma2 2 1 1 2 . . . . . . . . . 6 . HN parsed_1ma2 2 2 1 1 . . . . . . . . . 13 . O parsed_1ma2 2 2 1 2 . . . . . . . . . 6 . N parsed_1ma2 2 3 1 1 . . . . . . . . . 8 . O parsed_1ma2 2 3 1 2 . . . . . . . . . 11 . HN parsed_1ma2 2 4 1 1 . . . . . . . . . 8 . O parsed_1ma2 2 4 1 2 . . . . . . . . . 11 . N parsed_1ma2 2 5 1 1 . . . . . . . . . 11 . O parsed_1ma2 2 5 1 2 . . . . . . . . . 8 . HN parsed_1ma2 2 6 1 1 . . . . . . . . . 11 . O parsed_1ma2 2 6 1 2 . . . . . . . . . 8 . N parsed_1ma2 2 7 1 1 . . . . . . . . . 6 . O parsed_1ma2 2 7 1 2 . . . . . . . . . 13 . HN parsed_1ma2 2 8 1 1 . . . . . . . . . 6 . O parsed_1ma2 2 8 1 2 . . . . . . . . . 13 . N parsed_1ma2 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 . . . . . 1.8 1.5 2.5 parsed_1ma2 2 2 1 . . . . . 2.8 2.4 3.5 parsed_1ma2 2 3 1 . . . . . 1.8 1.5 2.5 parsed_1ma2 2 4 1 . . . . . 2.8 2.4 3.5 parsed_1ma2 2 5 1 . . . . . 1.8 1.5 2.5 parsed_1ma2 2 6 1 . . . . . 2.8 2.4 3.5 parsed_1ma2 2 7 1 . . . . . 1.8 1.5 2.5 parsed_1ma2 2 8 1 . . . . . 2.8 2.4 3.5 parsed_1ma2 2 stop_ save_
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