NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
596360 | 2n4n | 25673 | cing | 2-parsed | STAR | entry | full | 196 |
data_2n4n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n4n _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_2n4n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n4n _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 2n4n "Master copy" parsed_2n4n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n4n _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 2n4n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n4n 1 1 2n4n.mr . . XPLOR/CNS 2 distance NOE ambi 151 parsed_2n4n 1 1 2n4n.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 21 parsed_2n4n 1 1 2n4n.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_2n4n 1 1 2n4n.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n4n 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_2n4n _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER DE NOVO PROTEIN 24-JUN-15 2N4N *TITLE NMR STRUCTURE FOR A 3-STRANDED PARALLEL BETA-SHEET *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED BETA SHEET; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR V.M.KUNG, G.CORNILESCU, S.H.GELLMAN *REVDAT 1 28-OCT-15 2N4N 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n4n _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_2n4n 1 2 1 . . . parsed_2n4n 1 3 1 . . . parsed_2n4n 1 4 1 . . . parsed_2n4n 1 5 1 . . . parsed_2n4n 1 6 1 . . . parsed_2n4n 1 7 1 . . . parsed_2n4n 1 8 1 . . . parsed_2n4n 1 9 1 . . . parsed_2n4n 1 10 1 . . . parsed_2n4n 1 11 1 . . . parsed_2n4n 1 12 1 . . . parsed_2n4n 1 13 1 . . . parsed_2n4n 1 14 1 . . . parsed_2n4n 1 15 1 . . . parsed_2n4n 1 16 1 . . . parsed_2n4n 1 17 1 . . . parsed_2n4n 1 18 1 . . . parsed_2n4n 1 19 1 . . . parsed_2n4n 1 20 1 . . . parsed_2n4n 1 21 1 . . . parsed_2n4n 1 22 1 . . . parsed_2n4n 1 23 1 . . . parsed_2n4n 1 24 1 . . . parsed_2n4n 1 25 1 . . . parsed_2n4n 1 26 1 . . . parsed_2n4n 1 27 1 . . . parsed_2n4n 1 28 1 . . . parsed_2n4n 1 29 1 . . . parsed_2n4n 1 30 1 . . . parsed_2n4n 1 31 1 . . . parsed_2n4n 1 32 1 . . . parsed_2n4n 1 33 1 . . . parsed_2n4n 1 34 1 . . . parsed_2n4n 1 35 1 . . . parsed_2n4n 1 36 1 . . . parsed_2n4n 1 37 1 . . . parsed_2n4n 1 38 1 . . . parsed_2n4n 1 39 1 . . . parsed_2n4n 1 40 1 . . . parsed_2n4n 1 41 1 . . . parsed_2n4n 1 42 1 . . . parsed_2n4n 1 43 1 . . . parsed_2n4n 1 44 1 . . . parsed_2n4n 1 45 1 . . . parsed_2n4n 1 46 1 . . . parsed_2n4n 1 47 1 . . . parsed_2n4n 1 48 1 . . . parsed_2n4n 1 49 1 . . . parsed_2n4n 1 50 1 . . . parsed_2n4n 1 51 1 . . . parsed_2n4n 1 52 1 . . . parsed_2n4n 1 53 1 . . . parsed_2n4n 1 54 1 . . . parsed_2n4n 1 55 1 . . . parsed_2n4n 1 56 1 . . . parsed_2n4n 1 57 1 . . . parsed_2n4n 1 58 1 . . . parsed_2n4n 1 59 1 . . . parsed_2n4n 1 60 1 . . . parsed_2n4n 1 61 1 . . . parsed_2n4n 1 62 1 . . . parsed_2n4n 1 63 1 . . . parsed_2n4n 1 64 1 . . . parsed_2n4n 1 65 1 . . . parsed_2n4n 1 66 1 . . . parsed_2n4n 1 67 1 . . . parsed_2n4n 1 68 1 . . . parsed_2n4n 1 69 1 . . . parsed_2n4n 1 70 1 . . . parsed_2n4n 1 71 1 . . . parsed_2n4n 1 72 1 . . . parsed_2n4n 1 73 1 . . . parsed_2n4n 1 74 1 . . . parsed_2n4n 1 75 1 . . . parsed_2n4n 1 76 1 . . . parsed_2n4n 1 77 1 . . . parsed_2n4n 1 78 1 . . . parsed_2n4n 1 79 1 . . . parsed_2n4n 1 80 1 . . . parsed_2n4n 1 81 1 . . . parsed_2n4n 1 82 1 . . . parsed_2n4n 1 83 1 . . . parsed_2n4n 1 84 1 . . . parsed_2n4n 1 85 1 . . . parsed_2n4n 1 86 1 . . . parsed_2n4n 1 87 1 . . . parsed_2n4n 1 88 1 . . . parsed_2n4n 1 89 1 . . . parsed_2n4n 1 90 1 . . . parsed_2n4n 1 91 1 . . . parsed_2n4n 1 92 1 . . . parsed_2n4n 1 93 1 . . . parsed_2n4n 1 94 1 . . . parsed_2n4n 1 95 1 . . . parsed_2n4n 1 96 1 . . . parsed_2n4n 1 97 1 . . . parsed_2n4n 1 98 1 . . . parsed_2n4n 1 99 1 . . . parsed_2n4n 1 100 1 . . . parsed_2n4n 1 101 1 . . . parsed_2n4n 1 102 1 . . . parsed_2n4n 1 103 1 . . . parsed_2n4n 1 104 1 . . . parsed_2n4n 1 105 1 . . . parsed_2n4n 1 106 1 . . . parsed_2n4n 1 107 1 . . . parsed_2n4n 1 108 1 . . . parsed_2n4n 1 109 1 . . . parsed_2n4n 1 110 1 . . . parsed_2n4n 1 111 1 . . . parsed_2n4n 1 112 1 . . . parsed_2n4n 1 113 1 . . . parsed_2n4n 1 114 1 . . . parsed_2n4n 1 115 1 . . . parsed_2n4n 1 116 1 . . . parsed_2n4n 1 117 1 . . . parsed_2n4n 1 118 1 . . . parsed_2n4n 1 119 1 . . . parsed_2n4n 1 120 1 . . . parsed_2n4n 1 121 1 . . . parsed_2n4n 1 122 1 . . . parsed_2n4n 1 123 1 . . . parsed_2n4n 1 124 1 . . . parsed_2n4n 1 125 1 . . . parsed_2n4n 1 126 1 . . . parsed_2n4n 1 127 1 . . . parsed_2n4n 1 128 1 . . . parsed_2n4n 1 129 1 . . . parsed_2n4n 1 130 1 . . . parsed_2n4n 1 131 1 . . . parsed_2n4n 1 132 1 . . . parsed_2n4n 1 133 1 . . . parsed_2n4n 1 134 1 . . . parsed_2n4n 1 135 1 . . . parsed_2n4n 1 136 1 . . . parsed_2n4n 1 137 1 . . . parsed_2n4n 1 138 1 . . . parsed_2n4n 1 139 1 . . . parsed_2n4n 1 140 1 . . . parsed_2n4n 1 141 1 . . . parsed_2n4n 1 142 1 . . . parsed_2n4n 1 143 1 . . . parsed_2n4n 1 144 1 . . . parsed_2n4n 1 145 1 . . . parsed_2n4n 1 146 1 . . . parsed_2n4n 1 147 1 . . . parsed_2n4n 1 148 1 . . . parsed_2n4n 1 149 1 . . . parsed_2n4n 1 150 1 . . . parsed_2n4n 1 151 1 . . . parsed_2n4n 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 . . . . . . . . . 0 . HA# parsed_2n4n 1 1 1 2 . . . . . . . . . 1 . HN parsed_2n4n 1 2 1 1 . . . . . . . . . 1 . HA parsed_2n4n 1 2 1 2 . . . . . . . . . 1 . HB1 parsed_2n4n 1 2 1 2 . . . . . . . . . 1 . HB2 parsed_2n4n 1 3 1 1 . . . . . . . . . 1 . HA parsed_2n4n 1 3 1 2 . . . . . . . . . 1 . HN parsed_2n4n 1 4 1 1 . . . . . . . . . 1 . HB1 parsed_2n4n 1 4 1 1 . . . . . . . . . 1 . HB2 parsed_2n4n 1 4 1 2 . . . . . . . . . 1 . HN parsed_2n4n 1 5 1 1 . . . . . . . . . 1 . HB1 parsed_2n4n 1 5 1 1 . . . . . . . . . 1 . HB2 parsed_2n4n 1 5 1 2 . . . . . . . . . 1 . HN parsed_2n4n 1 6 1 1 . . . . . . . . . 1 . HA parsed_2n4n 1 6 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 7 1 1 . . . . . . . . . 2 . HA parsed_2n4n 1 7 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 8 1 1 . . . . . . . . . 2 . HB# parsed_2n4n 1 8 1 2 . . . . . . . . . 2 . HD# parsed_2n4n 1 9 1 1 . . . . . . . . . 2 . HB# parsed_2n4n 1 9 1 2 . . . . . . . . . 2 . HE parsed_2n4n 1 10 1 1 . . . . . . . . . 2 . HB# parsed_2n4n 1 10 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 11 1 1 . . . . . . . . . 2 . HD# parsed_2n4n 1 11 1 2 . . . . . . . . . 2 . HE parsed_2n4n 1 12 1 1 . . . . . . . . . 2 . HD# parsed_2n4n 1 12 1 2 . . . . . . . . . 2 . HG1 parsed_2n4n 1 12 1 2 . . . . . . . . . 2 . HG2 parsed_2n4n 1 13 1 1 . . . . . . . . . 2 . HD# parsed_2n4n 1 13 1 2 . . . . . . . . . 2 . HG1 parsed_2n4n 1 13 1 2 . . . . . . . . . 2 . HG2 parsed_2n4n 1 14 1 1 . . . . . . . . . 2 . HD# parsed_2n4n 1 14 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 15 1 1 . . . . . . . . . 2 . HG1 parsed_2n4n 1 15 1 1 . . . . . . . . . 2 . HG2 parsed_2n4n 1 15 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 16 1 1 . . . . . . . . . 2 . HG1 parsed_2n4n 1 16 1 1 . . . . . . . . . 2 . HG2 parsed_2n4n 1 16 1 2 . . . . . . . . . 2 . HN parsed_2n4n 1 17 1 1 . . . . . . . . . 2 . HA parsed_2n4n 1 17 1 2 . . . . . . . . . 3 . HN parsed_2n4n 1 18 1 1 . . . . . . . . . 3 . HA parsed_2n4n 1 18 1 2 . . . . . . . . . 3 . HN parsed_2n4n 1 19 1 1 . . . . . . . . . 3 . HB1 parsed_2n4n 1 19 1 1 . . . . . . . . . 3 . HB2 parsed_2n4n 1 19 1 2 . . . . . . . . . 3 . HN parsed_2n4n 1 20 1 1 . . . . . . . . . 3 . HB1 parsed_2n4n 1 20 1 1 . . . . . . . . . 3 . HB2 parsed_2n4n 1 20 1 2 . . . . . . . . . 3 . HN parsed_2n4n 1 21 1 1 . . . . . . . . . 4 . HA parsed_2n4n 1 21 1 2 . . . . . . . . . 4 . HD# parsed_2n4n 1 22 1 1 . . . . . . . . . 4 . HA parsed_2n4n 1 22 1 2 . . . . . . . . . 4 . HN parsed_2n4n 1 23 1 1 . . . . . . . . . 4 . HB1 parsed_2n4n 1 23 1 1 . . . . . . . . . 4 . HB2 parsed_2n4n 1 23 1 2 . . . . . . . . . 4 . HD# parsed_2n4n 1 24 1 1 . . . . . . . . . 4 . HB1 parsed_2n4n 1 24 1 1 . . . . . . . . . 4 . HB2 parsed_2n4n 1 24 1 2 . . . . . . . . . 4 . HN parsed_2n4n 1 25 1 1 . . . . . . . . . 4 . HB1 parsed_2n4n 1 25 1 1 . . . . . . . . . 4 . HB2 parsed_2n4n 1 25 1 2 . . . . . . . . . 4 . HD# parsed_2n4n 1 26 1 1 . . . . . . . . . 4 . HB1 parsed_2n4n 1 26 1 1 . . . . . . . . . 4 . HB2 parsed_2n4n 1 26 1 2 . . . . . . . . . 4 . HN parsed_2n4n 1 27 1 1 . . . . . . . . . 4 . HD# parsed_2n4n 1 27 1 2 . . . . . . . . . 4 . HE# parsed_2n4n 1 28 1 1 . . . . . . . . . 4 . HD# parsed_2n4n 1 28 1 2 . . . . . . . . . 4 . HN parsed_2n4n 1 29 1 1 . . . . . . . . . 5 . HA parsed_2n4n 1 29 1 2 . . . . . . . . . 5 . HB# parsed_2n4n 1 30 1 1 . . . . . . . . . 5 . HA parsed_2n4n 1 30 1 2 . . . . . . . . . 5 . HN parsed_2n4n 1 31 1 1 . . . . . . . . . 5 . HB# parsed_2n4n 1 31 1 2 . . . . . . . . . 5 . HG# parsed_2n4n 1 32 1 1 . . . . . . . . . 5 . HB# parsed_2n4n 1 32 1 2 . . . . . . . . . 5 . HN parsed_2n4n 1 33 1 1 . . . . . . . . . 5 . HG# parsed_2n4n 1 33 1 2 . . . . . . . . . 5 . HN parsed_2n4n 1 34 1 1 . . . . . . . . . 6 . HA parsed_2n4n 1 34 1 2 . . . . . . . . . 6 . HN parsed_2n4n 1 35 1 1 . . . . . . . . . 6 . HB# parsed_2n4n 1 35 1 2 . . . . . . . . . 6 . HN parsed_2n4n 1 36 1 1 . . . . . . . . . 6 . HD# parsed_2n4n 1 36 1 2 . . . . . . . . . 6 . HN parsed_2n4n 1 37 1 1 . . . . . . . . . 6 . HA parsed_2n4n 1 37 1 2 . . . . . . . . . 7 . HAI parsed_2n4n 1 38 1 1 . . . . . . . . . 7 . HAD parsed_2n4n 1 38 1 2 . . . . . . . . . 7 . HAH parsed_2n4n 1 39 1 1 . . . . . . . . . 7 . HAH parsed_2n4n 1 39 1 2 . . . . . . . . . 7 . HAI parsed_2n4n 1 40 1 1 . . . . . . . . . 8 . HB1 parsed_2n4n 1 40 1 1 . . . . . . . . . 8 . HB2 parsed_2n4n 1 40 1 2 . . . . . . . . . 8 . HD# parsed_2n4n 1 41 1 1 . . . . . . . . . 8 . HB1 parsed_2n4n 1 41 1 1 . . . . . . . . . 8 . HB2 parsed_2n4n 1 41 1 2 . . . . . . . . . 8 . HD# parsed_2n4n 1 42 1 1 . . . . . . . . . 9 . HA parsed_2n4n 1 42 1 2 . . . . . . . . . 9 . HB parsed_2n4n 1 43 1 1 . . . . . . . . . 9 . HA parsed_2n4n 1 43 1 2 . . . . . . . . . 9 . HG* parsed_2n4n 1 44 1 1 . . . . . . . . . 9 . HA parsed_2n4n 1 44 1 2 . . . . . . . . . 9 . HN parsed_2n4n 1 45 1 1 . . . . . . . . . 9 . HB parsed_2n4n 1 45 1 2 . . . . . . . . . 9 . HG* parsed_2n4n 1 46 1 1 . . . . . . . . . 9 . HB parsed_2n4n 1 46 1 2 . . . . . . . . . 9 . HN parsed_2n4n 1 47 1 1 . . . . . . . . . 9 . HG* parsed_2n4n 1 47 1 2 . . . . . . . . . 9 . HN parsed_2n4n 1 48 1 1 . . . . . . . . . 10 . HA parsed_2n4n 1 48 1 2 . . . . . . . . . 10 . HN parsed_2n4n 1 49 1 1 . . . . . . . . . 10 . HB# parsed_2n4n 1 49 1 2 . . . . . . . . . 10 . HG# parsed_2n4n 1 50 1 1 . . . . . . . . . 10 . HB# parsed_2n4n 1 50 1 2 . . . . . . . . . 10 . HN parsed_2n4n 1 51 1 1 . . . . . . . . . 10 . HG# parsed_2n4n 1 51 1 2 . . . . . . . . . 10 . HN parsed_2n4n 1 52 1 1 . . . . . . . . . 10 . HN parsed_2n4n 1 52 1 2 . . . . . . . . . 11 . HA parsed_2n4n 1 53 1 1 . . . . . . . . . 11 . HA parsed_2n4n 1 53 1 2 . . . . . . . . . 11 . HN parsed_2n4n 1 54 1 1 . . . . . . . . . 11 . HB# parsed_2n4n 1 54 1 2 . . . . . . . . . 11 . HN parsed_2n4n 1 55 1 1 . . . . . . . . . 11 . HD# parsed_2n4n 1 55 1 2 . . . . . . . . . 11 . HE# parsed_2n4n 1 56 1 1 . . . . . . . . . 11 . HD# parsed_2n4n 1 56 1 2 . . . . . . . . . 11 . HN parsed_2n4n 1 57 1 1 . . . . . . . . . 11 . HE# parsed_2n4n 1 57 1 2 . . . . . . . . . 11 . HG# parsed_2n4n 1 58 1 1 . . . . . . . . . 11 . HE# parsed_2n4n 1 58 1 2 . . . . . . . . . 11 . HZ# parsed_2n4n 1 59 1 1 . . . . . . . . . 11 . HG# parsed_2n4n 1 59 1 2 . . . . . . . . . 11 . HN parsed_2n4n 1 60 1 1 . . . . . . . . . 11 . HG# parsed_2n4n 1 60 1 2 . . . . . . . . . 11 . HZ# parsed_2n4n 1 61 1 1 . . . . . . . . . 11 . HN parsed_2n4n 1 61 1 2 . . . . . . . . . 12 . HA parsed_2n4n 1 62 1 1 . . . . . . . . . 12 . HA parsed_2n4n 1 62 1 2 . . . . . . . . . 12 . HN parsed_2n4n 1 63 1 1 . . . . . . . . . 12 . HB# parsed_2n4n 1 63 1 2 . . . . . . . . . 12 . HN parsed_2n4n 1 64 1 1 . . . . . . . . . 12 . HN parsed_2n4n 1 64 1 2 . . . . . . . . . 13 . HA parsed_2n4n 1 65 1 1 . . . . . . . . . 13 . HA parsed_2n4n 1 65 1 2 . . . . . . . . . 13 . HN parsed_2n4n 1 66 1 1 . . . . . . . . . 13 . HD1# parsed_2n4n 1 66 1 2 . . . . . . . . . 13 . HG11 parsed_2n4n 1 66 1 2 . . . . . . . . . 13 . HG12 parsed_2n4n 1 67 1 1 . . . . . . . . . 13 . HD1# parsed_2n4n 1 67 1 2 . . . . . . . . . 13 . HG11 parsed_2n4n 1 67 1 2 . . . . . . . . . 13 . HG12 parsed_2n4n 1 68 1 1 . . . . . . . . . 13 . HD1# parsed_2n4n 1 68 1 2 . . . . . . . . . 13 . HN parsed_2n4n 1 69 1 1 . . . . . . . . . 13 . HG11 parsed_2n4n 1 69 1 1 . . . . . . . . . 13 . HG12 parsed_2n4n 1 69 1 2 . . . . . . . . . 13 . HN parsed_2n4n 1 70 1 1 . . . . . . . . . 13 . HG11 parsed_2n4n 1 70 1 1 . . . . . . . . . 13 . HG12 parsed_2n4n 1 70 1 2 . . . . . . . . . 13 . HN parsed_2n4n 1 71 1 1 . . . . . . . . . 13 . HN parsed_2n4n 1 71 1 2 . . . . . . . . . 14 . HA parsed_2n4n 1 72 1 1 . . . . . . . . . 14 . HA parsed_2n4n 1 72 1 2 . . . . . . . . . 14 . HN parsed_2n4n 1 73 1 1 . . . . . . . . . 14 . HB1 parsed_2n4n 1 73 1 1 . . . . . . . . . 14 . HB2 parsed_2n4n 1 73 1 2 . . . . . . . . . 14 . HE parsed_2n4n 1 74 1 1 . . . . . . . . . 14 . HB1 parsed_2n4n 1 74 1 1 . . . . . . . . . 14 . HB2 parsed_2n4n 1 74 1 2 . . . . . . . . . 14 . HN parsed_2n4n 1 75 1 1 . . . . . . . . . 14 . HB1 parsed_2n4n 1 75 1 1 . . . . . . . . . 14 . HB2 parsed_2n4n 1 75 1 2 . . . . . . . . . 14 . HN parsed_2n4n 1 76 1 1 . . . . . . . . . 14 . HD# parsed_2n4n 1 76 1 2 . . . . . . . . . 14 . HE parsed_2n4n 1 77 1 1 . . . . . . . . . 14 . HD# parsed_2n4n 1 77 1 2 . . . . . . . . . 14 . HN parsed_2n4n 1 78 1 1 . . . . . . . . . 14 . HG# parsed_2n4n 1 78 1 2 . . . . . . . . . 14 . HN parsed_2n4n 1 79 1 1 . . . . . . . . . 14 . HN parsed_2n4n 1 79 1 2 . . . . . . . . . 15 . HA parsed_2n4n 1 80 1 1 . . . . . . . . . 15 . HA parsed_2n4n 1 80 1 2 . . . . . . . . . 15 . HN parsed_2n4n 1 81 1 1 . . . . . . . . . 15 . HB parsed_2n4n 1 81 1 2 . . . . . . . . . 15 . HG* parsed_2n4n 1 82 1 1 . . . . . . . . . 15 . HB parsed_2n4n 1 82 1 2 . . . . . . . . . 15 . HN parsed_2n4n 1 83 1 1 . . . . . . . . . 15 . HG* parsed_2n4n 1 83 1 2 . . . . . . . . . 15 . HN parsed_2n4n 1 84 1 1 . . . . . . . . . 17 . HA1 parsed_2n4n 1 84 1 1 . . . . . . . . . 17 . HA2 parsed_2n4n 1 84 1 2 . . . . . . . . . 17 . HN parsed_2n4n 1 85 1 1 . . . . . . . . . 17 . HA1 parsed_2n4n 1 85 1 1 . . . . . . . . . 17 . HA2 parsed_2n4n 1 85 1 2 . . . . . . . . . 17 . HN parsed_2n4n 1 86 1 1 . . . . . . . . . 18 . HA parsed_2n4n 1 86 1 2 . . . . . . . . . 18 . HG* parsed_2n4n 1 87 1 1 . . . . . . . . . 18 . HA parsed_2n4n 1 87 1 2 . . . . . . . . . 18 . HN parsed_2n4n 1 88 1 1 . . . . . . . . . 18 . HB parsed_2n4n 1 88 1 2 . . . . . . . . . 18 . HG* parsed_2n4n 1 89 1 1 . . . . . . . . . 18 . HB parsed_2n4n 1 89 1 2 . . . . . . . . . 18 . HN parsed_2n4n 1 90 1 1 . . . . . . . . . 18 . HG* parsed_2n4n 1 90 1 2 . . . . . . . . . 18 . HN parsed_2n4n 1 91 1 1 . . . . . . . . . 18 . HA parsed_2n4n 1 91 1 2 . . . . . . . . . 19 . HN parsed_2n4n 1 92 1 1 . . . . . . . . . 19 . HA parsed_2n4n 1 92 1 2 . . . . . . . . . 19 . HN parsed_2n4n 1 93 1 1 . . . . . . . . . 19 . HB parsed_2n4n 1 93 1 2 . . . . . . . . . 19 . HG2# parsed_2n4n 1 94 1 1 . . . . . . . . . 19 . HB parsed_2n4n 1 94 1 2 . . . . . . . . . 19 . HN parsed_2n4n 1 95 1 1 . . . . . . . . . 19 . HG2# parsed_2n4n 1 95 1 2 . . . . . . . . . 19 . HN parsed_2n4n 1 96 1 1 . . . . . . . . . 19 . HA parsed_2n4n 1 96 1 2 . . . . . . . . . 20 . HN parsed_2n4n 1 97 1 1 . . . . . . . . . 20 . HA parsed_2n4n 1 97 1 2 . . . . . . . . . 20 . HN parsed_2n4n 1 98 1 1 . . . . . . . . . 20 . HB parsed_2n4n 1 98 1 2 . . . . . . . . . 20 . HG2# parsed_2n4n 1 99 1 1 . . . . . . . . . 20 . HB parsed_2n4n 1 99 1 2 . . . . . . . . . 20 . HN parsed_2n4n 1 100 1 1 . . . . . . . . . 20 . HD1# parsed_2n4n 1 100 1 1 . . . . . . . . . 20 . HG2# parsed_2n4n 1 100 1 2 . . . . . . . . . 20 . HG11 parsed_2n4n 1 100 1 2 . . . . . . . . . 20 . HG12 parsed_2n4n 1 101 1 1 . . . . . . . . . 20 . HD1# parsed_2n4n 1 101 1 1 . . . . . . . . . 20 . HG2# parsed_2n4n 1 101 1 2 . . . . . . . . . 20 . HG11 parsed_2n4n 1 101 1 2 . . . . . . . . . 20 . HG12 parsed_2n4n 1 102 1 1 . . . . . . . . . 20 . HG2# parsed_2n4n 1 102 1 2 . . . . . . . . . 20 . HN parsed_2n4n 1 103 1 1 . . . . . . . . . 21 . HA parsed_2n4n 1 103 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 104 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 104 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 104 1 2 . . . . . . . . . 21 . HD# parsed_2n4n 1 105 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 105 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 105 1 2 . . . . . . . . . 21 . HE parsed_2n4n 1 106 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 106 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 106 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 107 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 107 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 107 1 2 . . . . . . . . . 21 . HD# parsed_2n4n 1 108 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 108 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 108 1 2 . . . . . . . . . 21 . HE parsed_2n4n 1 109 1 1 . . . . . . . . . 21 . HB1 parsed_2n4n 1 109 1 1 . . . . . . . . . 21 . HB2 parsed_2n4n 1 109 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 110 1 1 . . . . . . . . . 21 . HD# parsed_2n4n 1 110 1 2 . . . . . . . . . 21 . HE parsed_2n4n 1 111 1 1 . . . . . . . . . 21 . HD# parsed_2n4n 1 111 1 2 . . . . . . . . . 21 . HG1 parsed_2n4n 1 111 1 2 . . . . . . . . . 21 . HG2 parsed_2n4n 1 112 1 1 . . . . . . . . . 21 . HD# parsed_2n4n 1 112 1 2 . . . . . . . . . 21 . HG1 parsed_2n4n 1 112 1 2 . . . . . . . . . 21 . HG2 parsed_2n4n 1 113 1 1 . . . . . . . . . 21 . HD# parsed_2n4n 1 113 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 114 1 1 . . . . . . . . . 21 . HE parsed_2n4n 1 114 1 2 . . . . . . . . . 21 . HG1 parsed_2n4n 1 114 1 2 . . . . . . . . . 21 . HG2 parsed_2n4n 1 115 1 1 . . . . . . . . . 21 . HE parsed_2n4n 1 115 1 2 . . . . . . . . . 21 . HG1 parsed_2n4n 1 115 1 2 . . . . . . . . . 21 . HG2 parsed_2n4n 1 116 1 1 . . . . . . . . . 21 . HE parsed_2n4n 1 116 1 2 . . . . . . . . . 21 . HH* parsed_2n4n 1 117 1 1 . . . . . . . . . 21 . HG1 parsed_2n4n 1 117 1 1 . . . . . . . . . 21 . HG2 parsed_2n4n 1 117 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 118 1 1 . . . . . . . . . 21 . HG1 parsed_2n4n 1 118 1 1 . . . . . . . . . 21 . HG2 parsed_2n4n 1 118 1 2 . . . . . . . . . 21 . HN parsed_2n4n 1 119 1 1 . . . . . . . . . 22 . HA parsed_2n4n 1 119 1 2 . . . . . . . . . 22 . HN parsed_2n4n 1 120 1 1 . . . . . . . . . 22 . HB1 parsed_2n4n 1 120 1 1 . . . . . . . . . 22 . HB2 parsed_2n4n 1 120 1 2 . . . . . . . . . 22 . HN parsed_2n4n 1 121 1 1 . . . . . . . . . 22 . HB1 parsed_2n4n 1 121 1 1 . . . . . . . . . 22 . HB2 parsed_2n4n 1 121 1 2 . . . . . . . . . 22 . HG# parsed_2n4n 1 122 1 1 . . . . . . . . . 22 . HB1 parsed_2n4n 1 122 1 1 . . . . . . . . . 22 . HB2 parsed_2n4n 1 122 1 2 . . . . . . . . . 22 . HN parsed_2n4n 1 123 1 1 . . . . . . . . . 22 . HG# parsed_2n4n 1 123 1 2 . . . . . . . . . 22 . HN parsed_2n4n 1 124 1 1 . . . . . . . . . 22 . HA parsed_2n4n 1 124 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 125 1 1 . . . . . . . . . 23 . HA parsed_2n4n 1 125 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 126 1 1 . . . . . . . . . 23 . HB# parsed_2n4n 1 126 1 2 . . . . . . . . . 23 . HE# parsed_2n4n 1 127 1 1 . . . . . . . . . 23 . HB# parsed_2n4n 1 127 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 128 1 1 . . . . . . . . . 23 . HB# parsed_2n4n 1 128 1 2 . . . . . . . . . 23 . HZ# parsed_2n4n 1 129 1 1 . . . . . . . . . 23 . HD# parsed_2n4n 1 129 1 2 . . . . . . . . . 23 . HE# parsed_2n4n 1 130 1 1 . . . . . . . . . 23 . HD# parsed_2n4n 1 130 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 131 1 1 . . . . . . . . . 23 . HD# parsed_2n4n 1 131 1 2 . . . . . . . . . 23 . HZ# parsed_2n4n 1 132 1 1 . . . . . . . . . 23 . HE# parsed_2n4n 1 132 1 2 . . . . . . . . . 23 . HG# parsed_2n4n 1 133 1 1 . . . . . . . . . 23 . HE# parsed_2n4n 1 133 1 2 . . . . . . . . . 23 . HZ# parsed_2n4n 1 134 1 1 . . . . . . . . . 23 . HG# parsed_2n4n 1 134 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 135 1 1 . . . . . . . . . 23 . HG# parsed_2n4n 1 135 1 2 . . . . . . . . . 23 . HZ# parsed_2n4n 1 136 1 1 . . . . . . . . . 2 . HA parsed_2n4n 1 136 1 2 . . . . . . . . . 12 . HZ parsed_2n4n 1 137 1 1 . . . . . . . . . 3 . HB1 parsed_2n4n 1 137 1 1 . . . . . . . . . 3 . HB2 parsed_2n4n 1 137 1 2 . . . . . . . . . 21 . HH1# parsed_2n4n 1 137 1 2 . . . . . . . . . 21 . HH2# parsed_2n4n 1 138 1 1 . . . . . . . . . 3 . HZ parsed_2n4n 1 138 1 2 . . . . . . . . . 10 . HG# parsed_2n4n 1 139 1 1 . . . . . . . . . 3 . HB1 parsed_2n4n 1 139 1 1 . . . . . . . . . 3 . HB2 parsed_2n4n 1 139 1 2 . . . . . . . . . 21 . HE parsed_2n4n 1 140 1 1 . . . . . . . . . 4 . HD# parsed_2n4n 1 140 1 2 . . . . . . . . . 9 . HG* parsed_2n4n 1 141 1 1 . . . . . . . . . 9 . HA parsed_2n4n 1 141 1 2 . . . . . . . . . 23 . HN parsed_2n4n 1 142 1 1 . . . . . . . . . 10 . HN parsed_2n4n 1 142 1 2 . . . . . . . . . 22 . HA parsed_2n4n 1 143 1 1 . . . . . . . . . 14 . HD# parsed_2n4n 1 143 1 2 . . . . . . . . . 15 . HN parsed_2n4n 1 144 1 1 . . . . . . . . . 14 . HE parsed_2n4n 1 144 1 2 . . . . . . . . . 19 . HG2# parsed_2n4n 1 145 1 1 . . . . . . . . . 15 . HN parsed_2n4n 1 145 1 2 . . . . . . . . . 18 . HA parsed_2n4n 1 146 1 1 . . . . . . . . . 1 . HN parsed_2n4n 1 146 1 2 . . . . . . . . . 14 . HA parsed_2n4n 1 147 1 1 . . . . . . . . . 4 . HA parsed_2n4n 1 147 1 2 . . . . . . . . . 11 . HN parsed_2n4n 1 148 1 1 . . . . . . . . . 5 . HN parsed_2n4n 1 148 1 2 . . . . . . . . . 10 . HA parsed_2n4n 1 149 1 1 . . . . . . . . . 10 . HN parsed_2n4n 1 149 1 2 . . . . . . . . . 23 . HA parsed_2n4n 1 150 1 1 . . . . . . . . . 11 . HA parsed_2n4n 1 150 1 2 . . . . . . . . . 22 . HN parsed_2n4n 1 151 1 1 . . . . . . . . . 13 . HA parsed_2n4n 1 151 1 2 . . . . . . . . . 20 . HN parsed_2n4n 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 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 2 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 3 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 4 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 5 1 . . . . . 3.1 2.0 4.2 parsed_2n4n 1 6 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 7 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 8 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 9 1 . . . . . 2.6 1.7 5.0 parsed_2n4n 1 10 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 11 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 12 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 13 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 14 1 . . . . . 3.2 2.1 4.3 parsed_2n4n 1 15 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 16 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 17 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 18 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 19 1 . . . . . 3.1 2.0 4.2 parsed_2n4n 1 20 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 21 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 22 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 23 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 24 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 25 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 26 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 27 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 28 1 . . . . . 2.7 1.8 5.0 parsed_2n4n 1 29 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 30 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 31 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 32 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 33 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 34 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 35 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 36 1 . . . . . 2.7 0.0 5.0 parsed_2n4n 1 37 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 38 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 39 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 40 1 . . . . . 3.6 2.3 4.9 parsed_2n4n 1 41 1 . . . . . 5.0 3.2 6.8 parsed_2n4n 1 42 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 43 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 44 1 . . . . . 3.2 2.1 4.3 parsed_2n4n 1 45 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 46 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 47 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 48 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 49 1 . . . . . 2.3 1.5 3.1 parsed_2n4n 1 50 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 51 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 52 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 53 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 54 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 55 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 56 1 . . . . . 2.8 1.8 5.0 parsed_2n4n 1 57 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 58 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 59 1 . . . . . 3.1 2.0 4.2 parsed_2n4n 1 60 1 . . . . . 3.2 2.1 4.3 parsed_2n4n 1 61 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 62 1 . . . . . 3.3 2.2 4.4 parsed_2n4n 1 63 1 . . . . . 3.1 2.0 4.2 parsed_2n4n 1 64 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 65 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 66 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 67 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 68 1 . . . . . 3.2 0.0 4.3 parsed_2n4n 1 69 1 . . . . . 3.3 2.2 4.4 parsed_2n4n 1 70 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 71 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 72 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 73 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 74 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 75 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 76 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 77 1 . . . . . 3.4 2.2 4.6 parsed_2n4n 1 78 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 79 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 80 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 81 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 82 1 . . . . . 2.5 1.6 5.0 parsed_2n4n 1 83 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 84 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 85 1 . . . . . 3.4 2.2 4.6 parsed_2n4n 1 86 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 87 1 . . . . . 3.8 2.5 5.1 parsed_2n4n 1 88 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 89 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 90 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 91 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 92 1 . . . . . 3.7 2.4 5.0 parsed_2n4n 1 93 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 94 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 95 1 . . . . . 3.2 2.1 4.3 parsed_2n4n 1 96 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 97 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 98 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 99 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 100 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 101 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 102 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 103 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 104 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 105 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 106 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 107 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 108 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 109 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 110 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 111 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 112 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 113 1 . . . . . 3.4 2.2 4.6 parsed_2n4n 1 114 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 115 1 . . . . . 2.7 1.7 3.7 parsed_2n4n 1 116 1 . . . . . 2.2 1.4 3.0 parsed_2n4n 1 117 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 118 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 119 1 . . . . . 2.8 1.8 3.8 parsed_2n4n 1 120 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 121 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 122 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 123 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 124 1 . . . . . 2.4 1.6 3.2 parsed_2n4n 1 125 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 126 1 . . . . . 2.5 1.6 3.4 parsed_2n4n 1 127 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 128 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 129 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 130 1 . . . . . 2.8 1.8 5.0 parsed_2n4n 1 131 1 . . . . . 2.7 1.8 3.6 parsed_2n4n 1 132 1 . . . . . 2.6 1.7 3.5 parsed_2n4n 1 133 1 . . . . . 2.4 1.5 3.3 parsed_2n4n 1 134 1 . . . . . 2.9 1.9 3.9 parsed_2n4n 1 135 1 . . . . . 3.0 2.0 4.0 parsed_2n4n 1 136 1 . . . . . 3.1 1.8 4.6 parsed_2n4n 1 137 1 . . . . . 3.8 2.8 5.0 parsed_2n4n 1 138 1 . . . . . 3.6 2.6 5.0 parsed_2n4n 1 139 1 . . . . . 3.5 2.5 5.0 parsed_2n4n 1 140 1 . . . . . 4.0 3.0 5.0 parsed_2n4n 1 141 1 . . . . . 3.1 1.8 4.6 parsed_2n4n 1 142 1 . . . . . 3.1 2.1 4.1 parsed_2n4n 1 143 1 . . . . . 3.5 2.5 4.5 parsed_2n4n 1 144 1 . . . . . 3.5 2.5 5.0 parsed_2n4n 1 145 1 . . . . . 3.2 2.2 5.0 parsed_2n4n 1 146 1 . . . . . 2.6 1.6 5.0 parsed_2n4n 1 147 1 . . . . . 2.7 1.7 5.0 parsed_2n4n 1 148 1 . . . . . 3.8 2.8 5.0 parsed_2n4n 1 149 1 . . . . . 2.7 1.7 5.0 parsed_2n4n 1 150 1 . . . . . 2.5 1.5 5.0 parsed_2n4n 1 151 1 . . . . . 1.7 0.7 5.0 parsed_2n4n 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 ; !VMK-II-070-3strand-NOEs-sq.tbl, edited VMKung 02/25/15 intra-residue or sequential (Ha-HN) ROE's ; 1 1 3 43 parsed_2n4n 1 2 "long-range ROE's" 141 1 141 18 parsed_2n4n 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n4n _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_2n4n 2 2 1 . . . parsed_2n4n 2 3 1 . . . parsed_2n4n 2 4 1 . . . parsed_2n4n 2 5 1 . . . parsed_2n4n 2 6 1 . . . parsed_2n4n 2 7 1 . . . parsed_2n4n 2 8 1 . . . parsed_2n4n 2 9 1 . . . parsed_2n4n 2 10 1 . . . parsed_2n4n 2 11 1 . . . parsed_2n4n 2 12 1 . . . parsed_2n4n 2 13 1 . . . parsed_2n4n 2 14 1 . . . parsed_2n4n 2 15 1 . . . parsed_2n4n 2 16 1 . . . parsed_2n4n 2 17 1 . . . parsed_2n4n 2 18 1 . . . parsed_2n4n 2 19 1 . . . parsed_2n4n 2 20 1 . . . parsed_2n4n 2 21 1 . . . parsed_2n4n 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 . . . . . . . . . 20 . O parsed_2n4n 2 1 1 2 . . . . . . . . . 12 . HN parsed_2n4n 2 2 1 1 . . . . . . . . . 20 . O parsed_2n4n 2 2 1 2 . . . . . . . . . 12 . N parsed_2n4n 2 3 1 1 . . . . . . . . . 12 . O parsed_2n4n 2 3 1 2 . . . . . . . . . 22 . HN parsed_2n4n 2 4 1 1 . . . . . . . . . 12 . O parsed_2n4n 2 4 1 2 . . . . . . . . . 22 . N parsed_2n4n 2 5 1 1 . . . . . . . . . 22 . O parsed_2n4n 2 5 1 2 . . . . . . . . . 10 . HN parsed_2n4n 2 6 1 1 . . . . . . . . . 22 . O parsed_2n4n 2 6 1 2 . . . . . . . . . 10 . N parsed_2n4n 2 7 1 1 . . . . . . . . . 10 . O parsed_2n4n 2 7 1 2 . . . . . . . . . 23 . H1 parsed_2n4n 2 8 1 1 . . . . . . . . . 10 . O parsed_2n4n 2 8 1 2 . . . . . . . . . 23 . H2 parsed_2n4n 2 9 1 1 . . . . . . . . . 10 . O parsed_2n4n 2 9 1 2 . . . . . . . . . 23 . NT parsed_2n4n 2 10 1 1 . . . . . . . . . 9 . O parsed_2n4n 2 10 1 2 . . . . . . . . . 7 . HAI parsed_2n4n 2 11 1 1 . . . . . . . . . 9 . O parsed_2n4n 2 11 1 2 . . . . . . . . . 7 . NAC parsed_2n4n 2 12 1 1 . . . . . . . . . 5 . O parsed_2n4n 2 12 1 2 . . . . . . . . . 9 . HN parsed_2n4n 2 13 1 1 . . . . . . . . . 5 . O parsed_2n4n 2 13 1 2 . . . . . . . . . 9 . N parsed_2n4n 2 14 1 1 . . . . . . . . . 11 . O parsed_2n4n 2 14 1 2 . . . . . . . . . 5 . HN parsed_2n4n 2 15 1 1 . . . . . . . . . 11 . O parsed_2n4n 2 15 1 2 . . . . . . . . . 5 . N parsed_2n4n 2 16 1 1 . . . . . . . . . 3 . O parsed_2n4n 2 16 1 2 . . . . . . . . . 11 . HN parsed_2n4n 2 17 1 1 . . . . . . . . . 3 . O parsed_2n4n 2 17 1 2 . . . . . . . . . 11 . N parsed_2n4n 2 18 1 1 . . . . . . . . . 13 . O parsed_2n4n 2 18 1 2 . . . . . . . . . 3 . HN parsed_2n4n 2 19 1 1 . . . . . . . . . 13 . O parsed_2n4n 2 19 1 2 . . . . . . . . . 3 . N parsed_2n4n 2 20 1 1 . . . . . . . . . 1 . O parsed_2n4n 2 20 1 2 . . . . . . . . . 13 . HN parsed_2n4n 2 21 1 1 . . . . . . . . . 1 . O parsed_2n4n 2 21 1 2 . . . . . . . . . 13 . N parsed_2n4n 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 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 2 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 3 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 4 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 5 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 6 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 7 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 8 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 9 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 10 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 11 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 12 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 13 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 14 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 15 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 16 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 17 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 18 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 19 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 2 20 1 . . . . . 1.9 1.5 2.5 parsed_2n4n 2 21 1 . . . . . 2.9 2.4 3.6 parsed_2n4n 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 ; ! VMK-II-070-3strand peptide, last edit 7/26/14 VMKung ! Between top strand & middle strand: ; 1 1 3 39 parsed_2n4n 2 2 "! Between middle strand & bottom strand:" 18 1 18 42 parsed_2n4n 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n4n _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2n4n 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2n4n 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n4n 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2n4n 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2n4n 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 6 . N . 6 . CA . 6 . C . 7 . NAC parsed_2n4n 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 16 . CAJ . 15 . N . 15 . CA . 15 . C parsed_2n4n 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 15 . N . 15 . CA . 15 . C . 14 . N parsed_2n4n 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 15 . C . 14 . N . 14 . CA . 14 . C parsed_2n4n 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 14 . N . 14 . CA . 14 . C . 13 . N parsed_2n4n 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 14 . C . 13 . N . 13 . CA . 13 . C parsed_2n4n 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 13 . N . 13 . CA . 13 . C . 12 . N parsed_2n4n 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 13 . C . 12 . N . 12 . CA . 12 . C parsed_2n4n 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 12 . N . 12 . CA . 12 . C . 11 . N parsed_2n4n 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 12 . C . 11 . N . 11 . CA . 11 . C parsed_2n4n 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 11 . N . 11 . CA . 11 . C . 10 . N parsed_2n4n 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 11 . C . 10 . N . 10 . CA . 10 . C parsed_2n4n 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 10 . N . 10 . CA . 10 . C . 9 . N parsed_2n4n 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n4n 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n4n 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n4n 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n4n 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -110.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2n4n 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2n4n 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 ; VMK-II-070-3strand peptide, last edited 12/30/2014 VMKung Bottom Strand: ; 1 1 3 16 parsed_2n4n 1 2 "Middle Strand:" 20 1 20 16 parsed_2n4n 1 3 "Top Strand:" 52 1 52 13 parsed_2n4n 1 stop_ save_
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