NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
623709 | 6beu | 30363 | cing | 2-parsed | STAR | entry | full | 205 |
data_6beu_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6beu _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_6beu 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6beu _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 6beu "Master copy" parsed_6beu stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6beu _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 6beu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6beu 1 1 6beu.mr . . XPLOR/CNS 2 distance NOE simple 205 parsed_6beu 1 1 6beu.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6beu 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_6beu _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 25-OCT-17 6BEU *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN14_SS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER *REVDAT 1 27-DEC-17 6BEU 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6beu _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_6beu 1 2 1 . . . parsed_6beu 1 3 1 . . . parsed_6beu 1 4 1 . . . parsed_6beu 1 5 1 . . . parsed_6beu 1 6 1 . . . parsed_6beu 1 7 1 . . . parsed_6beu 1 8 1 . . . parsed_6beu 1 9 1 . . . parsed_6beu 1 10 1 . . . parsed_6beu 1 11 1 . . . parsed_6beu 1 12 1 . . . parsed_6beu 1 13 1 . . . parsed_6beu 1 14 1 . . . parsed_6beu 1 15 1 . . . parsed_6beu 1 16 1 . . . parsed_6beu 1 17 1 . . . parsed_6beu 1 18 1 . . . parsed_6beu 1 19 1 . . . parsed_6beu 1 20 1 . . . parsed_6beu 1 21 1 . . . parsed_6beu 1 22 1 . . . parsed_6beu 1 23 1 . . . parsed_6beu 1 24 1 . . . parsed_6beu 1 25 1 . . . parsed_6beu 1 26 1 . . . parsed_6beu 1 27 1 . . . parsed_6beu 1 28 1 . . . parsed_6beu 1 29 1 . . . parsed_6beu 1 30 1 . . . parsed_6beu 1 31 1 . . . parsed_6beu 1 32 1 . . . parsed_6beu 1 33 1 . . . parsed_6beu 1 34 1 . . . parsed_6beu 1 35 1 . . . parsed_6beu 1 36 1 . . . parsed_6beu 1 37 1 . . . parsed_6beu 1 38 1 . . . parsed_6beu 1 39 1 . . . parsed_6beu 1 40 1 . . . parsed_6beu 1 41 1 . . . parsed_6beu 1 42 1 . . . parsed_6beu 1 43 1 . . . parsed_6beu 1 44 1 . . . parsed_6beu 1 45 1 . . . parsed_6beu 1 46 1 . . . parsed_6beu 1 47 1 . . . parsed_6beu 1 48 1 . . . parsed_6beu 1 49 1 . . . parsed_6beu 1 50 1 . . . parsed_6beu 1 51 1 . . . parsed_6beu 1 52 1 . . . parsed_6beu 1 53 1 . . . parsed_6beu 1 54 1 . . . parsed_6beu 1 55 1 . . . parsed_6beu 1 56 1 . . . parsed_6beu 1 57 1 . . . parsed_6beu 1 58 1 . . . parsed_6beu 1 59 1 . . . parsed_6beu 1 60 1 . . . parsed_6beu 1 61 1 . . . parsed_6beu 1 62 1 . . . parsed_6beu 1 63 1 . . . parsed_6beu 1 64 1 . . . parsed_6beu 1 65 1 . . . parsed_6beu 1 66 1 . . . parsed_6beu 1 67 1 . . . parsed_6beu 1 68 1 . . . parsed_6beu 1 69 1 . . . parsed_6beu 1 70 1 . . . parsed_6beu 1 71 1 . . . parsed_6beu 1 72 1 . . . parsed_6beu 1 73 1 . . . parsed_6beu 1 74 1 . . . parsed_6beu 1 75 1 . . . parsed_6beu 1 76 1 . . . parsed_6beu 1 77 1 . . . parsed_6beu 1 78 1 . . . parsed_6beu 1 79 1 . . . parsed_6beu 1 80 1 . . . parsed_6beu 1 81 1 . . . parsed_6beu 1 82 1 . . . parsed_6beu 1 83 1 . . . parsed_6beu 1 84 1 . . . parsed_6beu 1 85 1 . . . parsed_6beu 1 86 1 . . . parsed_6beu 1 87 1 . . . parsed_6beu 1 88 1 . . . parsed_6beu 1 89 1 . . . parsed_6beu 1 90 1 . . . parsed_6beu 1 91 1 . . . parsed_6beu 1 92 1 . . . parsed_6beu 1 93 1 . . . parsed_6beu 1 94 1 . . . parsed_6beu 1 95 1 . . . parsed_6beu 1 96 1 . . . parsed_6beu 1 97 1 . . . parsed_6beu 1 98 1 . . . parsed_6beu 1 99 1 . . . parsed_6beu 1 100 1 . . . parsed_6beu 1 101 1 . . . parsed_6beu 1 102 1 . . . parsed_6beu 1 103 1 . . . parsed_6beu 1 104 1 . . . parsed_6beu 1 105 1 . . . parsed_6beu 1 106 1 . . . parsed_6beu 1 107 1 . . . parsed_6beu 1 108 1 . . . parsed_6beu 1 109 1 . . . parsed_6beu 1 110 1 . . . parsed_6beu 1 111 1 . . . parsed_6beu 1 112 1 . . . parsed_6beu 1 113 1 . . . parsed_6beu 1 114 1 . . . parsed_6beu 1 115 1 . . . parsed_6beu 1 116 1 . . . parsed_6beu 1 117 1 . . . parsed_6beu 1 118 1 . . . parsed_6beu 1 119 1 . . . parsed_6beu 1 120 1 . . . parsed_6beu 1 121 1 . . . parsed_6beu 1 122 1 . . . parsed_6beu 1 123 1 . . . parsed_6beu 1 124 1 . . . parsed_6beu 1 125 1 . . . parsed_6beu 1 126 1 . . . parsed_6beu 1 127 1 . . . parsed_6beu 1 128 1 . . . parsed_6beu 1 129 1 . . . parsed_6beu 1 130 1 . . . parsed_6beu 1 131 1 . . . parsed_6beu 1 132 1 . . . parsed_6beu 1 133 1 . . . parsed_6beu 1 134 1 . . . parsed_6beu 1 135 1 . . . parsed_6beu 1 136 1 . . . parsed_6beu 1 137 1 . . . parsed_6beu 1 138 1 . . . parsed_6beu 1 139 1 . . . parsed_6beu 1 140 1 . . . parsed_6beu 1 141 1 . . . parsed_6beu 1 142 1 . . . parsed_6beu 1 143 1 . . . parsed_6beu 1 144 1 . . . parsed_6beu 1 145 1 . . . parsed_6beu 1 146 1 . . . parsed_6beu 1 147 1 . . . parsed_6beu 1 148 1 . . . parsed_6beu 1 149 1 . . . parsed_6beu 1 150 1 . . . parsed_6beu 1 151 1 . . . parsed_6beu 1 152 1 . . . parsed_6beu 1 153 1 . . . parsed_6beu 1 154 1 . . . parsed_6beu 1 155 1 . . . parsed_6beu 1 156 1 . . . parsed_6beu 1 157 1 . . . parsed_6beu 1 158 1 . . . parsed_6beu 1 159 1 . . . parsed_6beu 1 160 1 . . . parsed_6beu 1 161 1 . . . parsed_6beu 1 162 1 . . . parsed_6beu 1 163 1 . . . parsed_6beu 1 164 1 . . . parsed_6beu 1 165 1 . . . parsed_6beu 1 166 1 . . . parsed_6beu 1 167 1 . . . parsed_6beu 1 168 1 . . . parsed_6beu 1 169 1 . . . parsed_6beu 1 170 1 . . . parsed_6beu 1 171 1 . . . parsed_6beu 1 172 1 . . . parsed_6beu 1 173 1 . . . parsed_6beu 1 174 1 . . . parsed_6beu 1 175 1 . . . parsed_6beu 1 176 1 . . . parsed_6beu 1 177 1 . . . parsed_6beu 1 178 1 . . . parsed_6beu 1 179 1 . . . parsed_6beu 1 180 1 . . . parsed_6beu 1 181 1 . . . parsed_6beu 1 182 1 . . . parsed_6beu 1 183 1 . . . parsed_6beu 1 184 1 . . . parsed_6beu 1 185 1 . . . parsed_6beu 1 186 1 . . . parsed_6beu 1 187 1 . . . parsed_6beu 1 188 1 . . . parsed_6beu 1 189 1 . . . parsed_6beu 1 190 1 . . . parsed_6beu 1 191 1 . . . parsed_6beu 1 192 1 . . . parsed_6beu 1 193 1 . . . parsed_6beu 1 194 1 . . . parsed_6beu 1 195 1 . . . parsed_6beu 1 196 1 . . . parsed_6beu 1 197 1 . . . parsed_6beu 1 198 1 . . . parsed_6beu 1 199 1 . . . parsed_6beu 1 200 1 . . . parsed_6beu 1 201 1 . . . parsed_6beu 1 202 1 . . . parsed_6beu 1 203 1 . . . parsed_6beu 1 204 1 . . . parsed_6beu 1 205 1 . . . parsed_6beu 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 . HA parsed_6beu 1 1 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 2 1 1 . . . . . . . . . 1 . HA parsed_6beu 1 2 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 3 1 1 . . . . . . . . . 2 . HA parsed_6beu 1 3 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 4 1 1 . . . . . . . . . 2 . HA parsed_6beu 1 4 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 5 1 1 . . . . . . . . . 3 . HA parsed_6beu 1 5 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 6 1 1 . . . . . . . . . 4 . HA parsed_6beu 1 6 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 7 1 1 . . . . . . . . . 5 . HA parsed_6beu 1 7 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 8 1 1 . . . . . . . . . 5 . HA parsed_6beu 1 8 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 9 1 1 . . . . . . . . . 6 . HA parsed_6beu 1 9 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 10 1 1 . . . . . . . . . 6 . HA parsed_6beu 1 10 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 11 1 1 . . . . . . . . . 7 . HA parsed_6beu 1 11 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 12 1 1 . . . . . . . . . 7 . HA parsed_6beu 1 12 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 13 1 1 . . . . . . . . . 7 . HA parsed_6beu 1 13 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 14 1 1 . . . . . . . . . 8 . HA parsed_6beu 1 14 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 15 1 1 . . . . . . . . . 9 . HA parsed_6beu 1 15 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 16 1 1 . . . . . . . . . 10 . HA parsed_6beu 1 16 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 17 1 1 . . . . . . . . . 10 . HA parsed_6beu 1 17 1 2 . . . . . . . . . 11 . HN parsed_6beu 1 18 1 1 . . . . . . . . . 11 . HA parsed_6beu 1 18 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 19 1 1 . . . . . . . . . 11 . HA parsed_6beu 1 19 1 2 . . . . . . . . . 11 . HN parsed_6beu 1 20 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 20 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 21 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 21 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 22 1 1 . . . . . . . . . 13 . HA parsed_6beu 1 22 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 23 1 1 . . . . . . . . . 14 . HA parsed_6beu 1 23 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 24 1 1 . . . . . . . . . 3 . HN parsed_6beu 1 24 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 25 1 1 . . . . . . . . . 8 . HN parsed_6beu 1 25 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 26 1 1 . . . . . . . . . 7 . HN parsed_6beu 1 26 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 27 1 1 . . . . . . . . . 11 . HN parsed_6beu 1 27 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 28 1 1 . . . . . . . . . 11 . HN parsed_6beu 1 28 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 29 1 1 . . . . . . . . . 11 . HN parsed_6beu 1 29 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 30 1 1 . . . . . . . . . 5 . HN parsed_6beu 1 30 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 31 1 1 . . . . . . . . . 7 . HN parsed_6beu 1 31 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 32 1 1 . . . . . . . . . 12 . HN parsed_6beu 1 32 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 33 1 1 . . . . . . . . . 7 . HA parsed_6beu 1 33 1 2 . . . . . . . . . 12 . HA parsed_6beu 1 34 1 1 . . . . . . . . . 1 . HB2 parsed_6beu 1 34 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 35 1 1 . . . . . . . . . 1 . HB1 parsed_6beu 1 35 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 36 1 1 . . . . . . . . . 1 . HB2 parsed_6beu 1 36 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 37 1 1 . . . . . . . . . 1 . HB1 parsed_6beu 1 37 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 38 1 1 . . . . . . . . . 2 . HB2 parsed_6beu 1 38 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 39 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1 39 1 2 . . . . . . . . . 2 . HD21 parsed_6beu 1 40 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1 40 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 41 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1 41 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 42 1 1 . . . . . . . . . 3 . HB parsed_6beu 1 42 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 43 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1 43 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 44 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1 44 1 2 . . . . . . . . . 4 . HD2 parsed_6beu 1 45 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1 45 1 2 . . . . . . . . . 4 . HD1 parsed_6beu 1 46 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1 46 1 2 . . . . . . . . . 13 . HB parsed_6beu 1 47 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 47 1 2 . . . . . . . . . 14 . HD2 parsed_6beu 1 48 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 48 1 2 . . . . . . . . . 14 . HD1 parsed_6beu 1 49 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 49 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 50 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 50 1 2 . . . . . . . . . 4 . HD2 parsed_6beu 1 51 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 51 1 2 . . . . . . . . . 4 . HD1 parsed_6beu 1 52 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1 52 1 2 . . . . . . . . . 13 . HB parsed_6beu 1 53 1 1 . . . . . . . . . 4 . HA parsed_6beu 1 53 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1 54 1 1 . . . . . . . . . 4 . HA parsed_6beu 1 54 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1 55 1 1 . . . . . . . . . 4 . HA parsed_6beu 1 55 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1 56 1 1 . . . . . . . . . 4 . HA parsed_6beu 1 56 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1 57 1 1 . . . . . . . . . 4 . HB2 parsed_6beu 1 57 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1 58 1 1 . . . . . . . . . 4 . HB2 parsed_6beu 1 58 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 59 1 1 . . . . . . . . . 4 . HB1 parsed_6beu 1 59 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1 60 1 1 . . . . . . . . . 4 . HB1 parsed_6beu 1 60 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 61 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1 61 1 2 . . . . . . . . . 3 . HA parsed_6beu 1 62 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1 62 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1 63 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1 63 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1 64 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1 64 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1 65 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1 65 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1 66 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1 66 1 2 . . . . . . . . . 3 . HA parsed_6beu 1 67 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1 67 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1 68 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1 68 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1 69 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1 69 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1 70 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1 70 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1 71 1 1 . . . . . . . . . 5 . HB# parsed_6beu 1 71 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 72 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 72 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 73 1 1 . . . . . . . . . 6 . HA parsed_6beu 1 73 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 74 1 1 . . . . . . . . . 6 . HA parsed_6beu 1 74 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 75 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 75 1 2 . . . . . . . . . 6 . HA parsed_6beu 1 76 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 76 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 77 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 77 1 2 . . . . . . . . . 7 . HB# parsed_6beu 1 78 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 78 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1 79 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 79 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 80 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 80 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 81 1 1 . . . . . . . . . 6 . HB parsed_6beu 1 81 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 82 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 82 1 2 . . . . . . . . . 4 . HA parsed_6beu 1 83 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 83 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1 84 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 84 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 85 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 85 1 2 . . . . . . . . . 6 . HA parsed_6beu 1 86 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 86 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 87 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 87 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 88 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 88 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 89 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 89 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 90 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1 90 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 91 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 91 1 2 . . . . . . . . . 4 . HA parsed_6beu 1 92 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 92 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1 93 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 93 1 2 . . . . . . . . . 5 . HN parsed_6beu 1 94 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 94 1 2 . . . . . . . . . 6 . HN parsed_6beu 1 95 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 95 1 2 . . . . . . . . . 7 . HB# parsed_6beu 1 96 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 96 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1 97 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 97 1 2 . . . . . . . . . 7 . HE# parsed_6beu 1 98 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 98 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 99 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 99 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 100 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 100 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 101 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 101 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 102 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 102 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 103 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1 103 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 104 1 1 . . . . . . . . . 6 . HN parsed_6beu 1 104 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1 105 1 1 . . . . . . . . . 7 . HE# parsed_6beu 1 105 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1 106 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1 106 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1 107 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1 107 1 2 . . . . . . . . . 7 . HE# parsed_6beu 1 108 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1 108 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 109 1 1 . . . . . . . . . 7 . HD# parsed_6beu 1 109 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 110 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1 110 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 111 1 1 . . . . . . . . . 7 . HD# parsed_6beu 1 111 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 112 1 1 . . . . . . . . . 7 . HE# parsed_6beu 1 112 1 2 . . . . . . . . . 7 . HN parsed_6beu 1 113 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1 113 1 2 . . . . . . . . . 1 . HA parsed_6beu 1 114 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1 114 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 115 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1 115 1 2 . . . . . . . . . 2 . HN parsed_6beu 1 116 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1 116 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 117 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1 117 1 2 . . . . . . . . . 1 . HA parsed_6beu 1 118 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1 118 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 119 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1 119 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 120 1 1 . . . . . . . . . 9 . HA parsed_6beu 1 120 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1 121 1 1 . . . . . . . . . 9 . HA parsed_6beu 1 121 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1 122 1 1 . . . . . . . . . 9 . HA parsed_6beu 1 122 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1 123 1 1 . . . . . . . . . 9 . HB2 parsed_6beu 1 123 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 124 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1 124 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1 125 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1 125 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1 126 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1 126 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1 127 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1 127 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 128 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1 128 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 129 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1 129 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1 130 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1 130 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1 131 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1 131 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1 132 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1 132 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 133 1 1 . . . . . . . . . 9 . HG# parsed_6beu 1 133 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 134 1 1 . . . . . . . . . 10 . HD22 parsed_6beu 1 134 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1 135 1 1 . . . . . . . . . 10 . HB1 parsed_6beu 1 135 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1 136 1 1 . . . . . . . . . 10 . HB2 parsed_6beu 1 136 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1 137 1 1 . . . . . . . . . 10 . HB2 parsed_6beu 1 137 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 138 1 1 . . . . . . . . . 10 . HB1 parsed_6beu 1 138 1 2 . . . . . . . . . 10 . HN parsed_6beu 1 139 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1 139 1 2 . . . . . . . . . 11 . HN parsed_6beu 1 140 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1 140 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 141 1 1 . . . . . . . . . 11 . HA parsed_6beu 1 141 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 142 1 1 . . . . . . . . . 11 . HA parsed_6beu 1 142 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 143 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1 143 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 144 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1 144 1 2 . . . . . . . . . 11 . HA parsed_6beu 1 145 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1 145 1 2 . . . . . . . . . 11 . HA parsed_6beu 1 146 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1 146 1 2 . . . . . . . . . 11 . HN parsed_6beu 1 147 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1 147 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 148 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 148 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 149 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1 149 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 150 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1 150 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 151 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 151 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 152 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 152 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 153 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 153 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 154 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 154 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 155 1 1 . . . . . . . . . 12 . HA parsed_6beu 1 155 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 156 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1 156 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 157 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1 157 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 158 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1 158 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 159 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 159 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 160 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 160 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 161 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 161 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 162 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1 162 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 163 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1 163 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 164 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1 164 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 165 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1 165 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 166 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1 166 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 167 1 1 . . . . . . . . . 12 . HD1 parsed_6beu 1 167 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 168 1 1 . . . . . . . . . 12 . HE2 parsed_6beu 1 168 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 169 1 1 . . . . . . . . . 12 . HE2 parsed_6beu 1 169 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 170 1 1 . . . . . . . . . 12 . HE1 parsed_6beu 1 170 1 2 . . . . . . . . . 12 . HN parsed_6beu 1 171 1 1 . . . . . . . . . 13 . HB parsed_6beu 1 171 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 172 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 172 1 2 . . . . . . . . . 14 . HD2 parsed_6beu 1 173 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 173 1 2 . . . . . . . . . 14 . HD1 parsed_6beu 1 174 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 174 1 2 . . . . . . . . . 3 . HB parsed_6beu 1 175 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 175 1 2 . . . . . . . . . 3 . HG2# parsed_6beu 1 176 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 176 1 2 . . . . . . . . . 3 . HG1# parsed_6beu 1 177 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 177 1 2 . . . . . . . . . 3 . HN parsed_6beu 1 178 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 178 1 2 . . . . . . . . . 6 . HG1# parsed_6beu 1 179 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 179 1 2 . . . . . . . . . 8 . HN parsed_6beu 1 180 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 180 1 2 . . . . . . . . . 12 . HA parsed_6beu 1 181 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 181 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 182 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 182 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1 183 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 183 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 184 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 184 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 185 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1 185 1 2 . . . . . . . . . 13 . HN parsed_6beu 1 186 1 1 . . . . . . . . . 13 . HN parsed_6beu 1 186 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1 187 1 1 . . . . . . . . . 13 . HN parsed_6beu 1 187 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1 188 1 1 . . . . . . . . . 13 . HN parsed_6beu 1 188 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1 189 1 1 . . . . . . . . . 14 . HA parsed_6beu 1 189 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1 190 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1 190 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1 191 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1 191 1 2 . . . . . . . . . 13 . HA parsed_6beu 1 192 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1 192 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1 193 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1 193 1 2 . . . . . . . . . 13 . HA parsed_6beu 1 194 1 1 . . . . . . . . . 14 . HA parsed_6beu 1 194 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1 195 1 1 . . . . . . . . . 14 . HA parsed_6beu 1 195 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1 196 1 1 . . . . . . . . . 14 . HB2 parsed_6beu 1 196 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 197 1 1 . . . . . . . . . 14 . HB1 parsed_6beu 1 197 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 198 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1 198 1 2 . . . . . . . . . 14 . HB2 parsed_6beu 1 199 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1 199 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1 200 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1 200 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1 201 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1 201 1 2 . . . . . . . . . 14 . HB2 parsed_6beu 1 202 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1 202 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1 203 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1 203 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1 204 1 1 . . . . . . . . . 14 . HG2 parsed_6beu 1 204 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 205 1 1 . . . . . . . . . 14 . HG1 parsed_6beu 1 205 1 2 . . . . . . . . . 1 . HN parsed_6beu 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 2 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 3 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 4 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 5 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 6 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 7 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 8 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 9 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 10 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 11 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 12 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 13 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 14 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 15 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 16 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 17 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 18 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 19 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 20 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 21 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 22 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 23 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1 24 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 25 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 26 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 27 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 28 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 29 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 30 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 31 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 32 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 33 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1 34 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 35 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 36 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 37 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 38 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 39 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 40 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 41 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 42 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 43 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 44 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 45 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 46 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 47 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 48 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 49 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 50 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 51 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 52 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 53 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 54 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 55 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 56 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 57 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 58 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 59 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 60 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 61 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 62 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 63 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 64 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 65 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 66 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 67 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 68 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 69 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 70 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 71 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 72 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 73 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 74 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 75 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 76 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 77 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 78 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 79 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 80 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 81 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 82 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 83 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 84 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 85 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 86 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 87 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 88 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 89 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 90 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 91 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 92 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 93 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 94 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 95 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 96 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 97 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 98 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 99 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 100 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 101 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 102 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 103 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 104 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 105 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1 106 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 107 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 108 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 109 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 110 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 111 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 112 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 113 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 114 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 115 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 116 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 117 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 118 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 119 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 120 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 121 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 122 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 123 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 124 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 125 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 126 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 127 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 128 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 129 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 130 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 131 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 132 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 133 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 134 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1 135 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 136 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 137 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 138 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 139 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 140 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 141 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 142 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 143 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 144 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 145 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 146 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 147 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 148 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 149 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 150 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 151 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 152 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 153 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 154 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 155 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 156 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 157 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 158 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 159 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 160 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 161 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 162 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 163 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 164 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 165 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 166 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 167 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 168 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 169 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 170 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 171 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 172 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 173 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 174 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 175 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 176 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 177 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 178 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 179 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 180 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 181 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 182 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 183 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 184 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 185 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 186 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 187 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 188 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 189 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 190 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 191 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 192 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 193 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 194 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 195 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 196 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 197 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 198 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 199 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 200 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 201 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 202 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 203 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1 204 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1 205 1 . . . . . 4.5 2.9 6.1 parsed_6beu 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 ; -------------------------------------------------------------------------! NOE Table for Sergey peptide ! Updated 053117 mds Sergey, 14mer cys ASN val pro ASP VAL TYR CYS pro asn LYS TYR val pro Upper case L-Amino Acid Lower case D-Amino Acid ! NOE binning !! strong 2.5 0.7 0.7 medium 3.5 1.2 1.2 weak 4.5 1.6 1.6 very weak 5.0 2.0 2.0 TOTAL NOES = 203 long range (j-i >6) = 33 short range (2 > j-i < 5) = 8 sequential (i to j) = 65 intraresidue (i to i) = 97 ------------------------------------------------------------------------! ! BACKBONE NOEs !! HA-HN ; 2 1 24 8 parsed_6beu 1 2 ; assign ( resid 14 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6 HN-HN ; 48 1 50 7 parsed_6beu 1 3 "was not in initial list but in experimental data" 52 75 52 124 parsed_6beu 1 4 "was not in initial list but in experimental data" 57 76 57 125 parsed_6beu 1 5 "was not in initial list but in experimental data" 58 75 58 124 parsed_6beu 1 6 ; was not in initial list but in experimental data HA-HA ; 59 75 61 8 parsed_6beu 1 7 "!side chain !!" 64 1 64 16 parsed_6beu 1 8 "assign ( resid 3 and name HG2#) ( resid 14 and name HD1 ) 4.5 1.6 1.6" 78 1 78 74 parsed_6beu 1 9 "assign ( resid 3 and name HG1# ) ( resid 7 and name HD# ) 4.5 1.6 1.6" 88 1 88 74 parsed_6beu 1 10 "assign ( resid 6 and name HG1#) ( resid 2 and name HD21 ) 4.5 1.6 1.6" 133 1 133 74 parsed_6beu 1 11 "assign ( resid 6 and name HG1# ) ( resid 11 and name HN 4.5 1.6 1.6 !maybe artifact, very weak at 500ms on 500mhz not at shorter mixing time or 800mzh data" 143 1 143 162 parsed_6beu 1 12 "assign ( resid 9 and name HD2 ) ( resid 8 and name HN ) 4.5 1.6 1.6" 173 1 173 75 parsed_6beu 1 13 "assign ( resid 9 and name HG# ) ( resid 12 and name HD1 ) 4.5 1.6 1.6" 184 1 184 74 parsed_6beu 1 14 ; assign ( resid 13 and name HB ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 !too weak assign ( resid 13 and name HB ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 ; 230 1 231 75 parsed_6beu 1 15 "assign ( resid 13 and name HG* ) ( resid 5 and name HN ) 4.5 1.6 1.6" 239 1 239 74 parsed_6beu 1 16 "assign ( resid 14 and name HA ) ( resid 14 and name HB2 ) 4.5 1.6 1.6" 257 1 257 75 parsed_6beu 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: sergey_noe.tbl" 1 1 1 35 parsed_6beu 1 stop_ save_
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