NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
623691 | 6ber | 30360 | cing | 2-parsed | STAR | entry | full | 202 |
data_6ber_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6ber _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_6ber 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6ber _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 6ber "Master copy" parsed_6ber stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6ber _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 6ber.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ber 1 1 6ber.mr . . XPLOR/CNS 2 distance NOE simple 202 parsed_6ber 1 1 6ber.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ber 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_6ber _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 6BER *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN10.2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(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 6BER 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6ber _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_6ber 1 2 1 . . . parsed_6ber 1 3 1 . . . parsed_6ber 1 4 1 . . . parsed_6ber 1 5 1 . . . parsed_6ber 1 6 1 . . . parsed_6ber 1 7 1 . . . parsed_6ber 1 8 1 . . . parsed_6ber 1 9 1 . . . parsed_6ber 1 10 1 . . . parsed_6ber 1 11 1 . . . parsed_6ber 1 12 1 . . . parsed_6ber 1 13 1 . . . parsed_6ber 1 14 1 . . . parsed_6ber 1 15 1 . . . parsed_6ber 1 16 1 . . . parsed_6ber 1 17 1 . . . parsed_6ber 1 18 1 . . . parsed_6ber 1 19 1 . . . parsed_6ber 1 20 1 . . . parsed_6ber 1 21 1 . . . parsed_6ber 1 22 1 . . . parsed_6ber 1 23 1 . . . parsed_6ber 1 24 1 . . . parsed_6ber 1 25 1 . . . parsed_6ber 1 26 1 . . . parsed_6ber 1 27 1 . . . parsed_6ber 1 28 1 . . . parsed_6ber 1 29 1 . . . parsed_6ber 1 30 1 . . . parsed_6ber 1 31 1 . . . parsed_6ber 1 32 1 . . . parsed_6ber 1 33 1 . . . parsed_6ber 1 34 1 . . . parsed_6ber 1 35 1 . . . parsed_6ber 1 36 1 . . . parsed_6ber 1 37 1 . . . parsed_6ber 1 38 1 . . . parsed_6ber 1 39 1 . . . parsed_6ber 1 40 1 . . . parsed_6ber 1 41 1 . . . parsed_6ber 1 42 1 . . . parsed_6ber 1 43 1 . . . parsed_6ber 1 44 1 . . . parsed_6ber 1 45 1 . . . parsed_6ber 1 46 1 . . . parsed_6ber 1 47 1 . . . parsed_6ber 1 48 1 . . . parsed_6ber 1 49 1 . . . parsed_6ber 1 50 1 . . . parsed_6ber 1 51 1 . . . parsed_6ber 1 52 1 . . . parsed_6ber 1 53 1 . . . parsed_6ber 1 54 1 . . . parsed_6ber 1 55 1 . . . parsed_6ber 1 56 1 . . . parsed_6ber 1 57 1 . . . parsed_6ber 1 58 1 . . . parsed_6ber 1 59 1 . . . parsed_6ber 1 60 1 . . . parsed_6ber 1 61 1 . . . parsed_6ber 1 62 1 . . . parsed_6ber 1 63 1 . . . parsed_6ber 1 64 1 . . . parsed_6ber 1 65 1 . . . parsed_6ber 1 66 1 . . . parsed_6ber 1 67 1 . . . parsed_6ber 1 68 1 . . . parsed_6ber 1 69 1 . . . parsed_6ber 1 70 1 . . . parsed_6ber 1 71 1 . . . parsed_6ber 1 72 1 . . . parsed_6ber 1 73 1 . . . parsed_6ber 1 74 1 . . . parsed_6ber 1 75 1 . . . parsed_6ber 1 76 1 . . . parsed_6ber 1 77 1 . . . parsed_6ber 1 78 1 . . . parsed_6ber 1 79 1 . . . parsed_6ber 1 80 1 . . . parsed_6ber 1 81 1 . . . parsed_6ber 1 82 1 . . . parsed_6ber 1 83 1 . . . parsed_6ber 1 84 1 . . . parsed_6ber 1 85 1 . . . parsed_6ber 1 86 1 . . . parsed_6ber 1 87 1 . . . parsed_6ber 1 88 1 . . . parsed_6ber 1 89 1 . . . parsed_6ber 1 90 1 . . . parsed_6ber 1 91 1 . . . parsed_6ber 1 92 1 . . . parsed_6ber 1 93 1 . . . parsed_6ber 1 94 1 . . . parsed_6ber 1 95 1 . . . parsed_6ber 1 96 1 . . . parsed_6ber 1 97 1 . . . parsed_6ber 1 98 1 . . . parsed_6ber 1 99 1 . . . parsed_6ber 1 100 1 . . . parsed_6ber 1 101 1 . . . parsed_6ber 1 102 1 . . . parsed_6ber 1 103 1 . . . parsed_6ber 1 104 1 . . . parsed_6ber 1 105 1 . . . parsed_6ber 1 106 1 . . . parsed_6ber 1 107 1 . . . parsed_6ber 1 108 1 . . . parsed_6ber 1 109 1 . . . parsed_6ber 1 110 1 . . . parsed_6ber 1 111 1 . . . parsed_6ber 1 112 1 . . . parsed_6ber 1 113 1 . . . parsed_6ber 1 114 1 . . . parsed_6ber 1 115 1 . . . parsed_6ber 1 116 1 . . . parsed_6ber 1 117 1 . . . parsed_6ber 1 118 1 . . . parsed_6ber 1 119 1 . . . parsed_6ber 1 120 1 . . . parsed_6ber 1 121 1 . . . parsed_6ber 1 122 1 . . . parsed_6ber 1 123 1 . . . parsed_6ber 1 124 1 . . . parsed_6ber 1 125 1 . . . parsed_6ber 1 126 1 . . . parsed_6ber 1 127 1 . . . parsed_6ber 1 128 1 . . . parsed_6ber 1 129 1 . . . parsed_6ber 1 130 1 . . . parsed_6ber 1 131 1 . . . parsed_6ber 1 132 1 . . . parsed_6ber 1 133 1 . . . parsed_6ber 1 134 1 . . . parsed_6ber 1 135 1 . . . parsed_6ber 1 136 1 . . . parsed_6ber 1 137 1 . . . parsed_6ber 1 138 1 . . . parsed_6ber 1 139 1 . . . parsed_6ber 1 140 1 . . . parsed_6ber 1 141 1 . . . parsed_6ber 1 142 1 . . . parsed_6ber 1 143 1 . . . parsed_6ber 1 144 1 . . . parsed_6ber 1 145 1 . . . parsed_6ber 1 146 1 . . . parsed_6ber 1 147 1 . . . parsed_6ber 1 148 1 . . . parsed_6ber 1 149 1 . . . parsed_6ber 1 150 1 . . . parsed_6ber 1 151 1 . . . parsed_6ber 1 152 1 . . . parsed_6ber 1 153 1 . . . parsed_6ber 1 154 1 . . . parsed_6ber 1 155 1 . . . parsed_6ber 1 156 1 . . . parsed_6ber 1 157 1 . . . parsed_6ber 1 158 1 . . . parsed_6ber 1 159 1 . . . parsed_6ber 1 160 1 . . . parsed_6ber 1 161 1 . . . parsed_6ber 1 162 1 . . . parsed_6ber 1 163 1 . . . parsed_6ber 1 164 1 . . . parsed_6ber 1 165 1 . . . parsed_6ber 1 166 1 . . . parsed_6ber 1 167 1 . . . parsed_6ber 1 168 1 . . . parsed_6ber 1 169 1 . . . parsed_6ber 1 170 1 . . . parsed_6ber 1 171 1 . . . parsed_6ber 1 172 1 . . . parsed_6ber 1 173 1 . . . parsed_6ber 1 174 1 . . . parsed_6ber 1 175 1 . . . parsed_6ber 1 176 1 . . . parsed_6ber 1 177 1 . . . parsed_6ber 1 178 1 . . . parsed_6ber 1 179 1 . . . parsed_6ber 1 180 1 . . . parsed_6ber 1 181 1 . . . parsed_6ber 1 182 1 . . . parsed_6ber 1 183 1 . . . parsed_6ber 1 184 1 . . . parsed_6ber 1 185 1 . . . parsed_6ber 1 186 1 . . . parsed_6ber 1 187 1 . . . parsed_6ber 1 188 1 . . . parsed_6ber 1 189 1 . . . parsed_6ber 1 190 1 . . . parsed_6ber 1 191 1 . . . parsed_6ber 1 192 1 . . . parsed_6ber 1 193 1 . . . parsed_6ber 1 194 1 . . . parsed_6ber 1 195 1 . . . parsed_6ber 1 196 1 . . . parsed_6ber 1 197 1 . . . parsed_6ber 1 198 1 . . . parsed_6ber 1 199 1 . . . parsed_6ber 1 200 1 . . . parsed_6ber 1 201 1 . . . parsed_6ber 1 202 1 . . . parsed_6ber 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_6ber 1 1 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 2 1 1 . . . . . . . . . 1 . HA parsed_6ber 1 2 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 3 1 1 . . . . . . . . . 1 . HA parsed_6ber 1 3 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 4 1 1 . . . . . . . . . 2 . HA parsed_6ber 1 4 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 5 1 1 . . . . . . . . . 2 . HA parsed_6ber 1 5 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 6 1 1 . . . . . . . . . 3 . HA parsed_6ber 1 6 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 7 1 1 . . . . . . . . . 4 . HA parsed_6ber 1 7 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 8 1 1 . . . . . . . . . 4 . HA parsed_6ber 1 8 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 9 1 1 . . . . . . . . . 5 . HA parsed_6ber 1 9 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 10 1 1 . . . . . . . . . 5 . HA parsed_6ber 1 10 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 11 1 1 . . . . . . . . . 6 . HA parsed_6ber 1 11 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 12 1 1 . . . . . . . . . 6 . HA parsed_6ber 1 12 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 13 1 1 . . . . . . . . . 6 . HA parsed_6ber 1 13 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 14 1 1 . . . . . . . . . 6 . HA parsed_6ber 1 14 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 15 1 1 . . . . . . . . . 7 . HA parsed_6ber 1 15 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 16 1 1 . . . . . . . . . 7 . HA parsed_6ber 1 16 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 17 1 1 . . . . . . . . . 8 . HA parsed_6ber 1 17 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 18 1 1 . . . . . . . . . 8 . HA parsed_6ber 1 18 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 19 1 1 . . . . . . . . . 9 . HA parsed_6ber 1 19 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 20 1 1 . . . . . . . . . 9 . HA parsed_6ber 1 20 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 21 1 1 . . . . . . . . . 10 . HA parsed_6ber 1 21 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 22 1 1 . . . . . . . . . 2 . HN parsed_6ber 1 22 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 23 1 1 . . . . . . . . . 2 . HN parsed_6ber 1 23 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 24 1 1 . . . . . . . . . 6 . HN parsed_6ber 1 24 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 25 1 1 . . . . . . . . . 6 . HN parsed_6ber 1 25 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 26 1 1 . . . . . . . . . 9 . HN parsed_6ber 1 26 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 27 1 1 . . . . . . . . . 2 . HA parsed_6ber 1 27 1 2 . . . . . . . . . 1 . HA parsed_6ber 1 28 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1 28 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 29 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1 29 1 2 . . . . . . . . . 1 . HA parsed_6ber 1 30 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1 30 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 31 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1 31 1 2 . . . . . . . . . 2 . HA parsed_6ber 1 32 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1 32 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 33 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1 33 1 2 . . . . . . . . . 1 . HA parsed_6ber 1 34 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1 34 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 35 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1 35 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 36 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1 36 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 37 1 1 . . . . . . . . . 2 . HB parsed_6ber 1 37 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 38 1 1 . . . . . . . . . 2 . HB parsed_6ber 1 38 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 39 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 39 1 2 . . . . . . . . . 2 . HA parsed_6ber 1 40 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 40 1 2 . . . . . . . . . 2 . HB parsed_6ber 1 41 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 41 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 42 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 42 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 43 1 1 . . . . . . . . . 2 . HB parsed_6ber 1 43 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1 44 1 1 . . . . . . . . . 2 . HB parsed_6ber 1 44 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1 45 1 1 . . . . . . . . . 2 . HB parsed_6ber 1 45 1 2 . . . . . . . . . 9 . HB# parsed_6ber 1 46 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 46 1 2 . . . . . . . . . 1 . HA parsed_6ber 1 47 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 47 1 2 . . . . . . . . . 1 . HB2 parsed_6ber 1 48 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 48 1 2 . . . . . . . . . 1 . HB1 parsed_6ber 1 49 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 49 1 2 . . . . . . . . . 1 . HG# parsed_6ber 1 50 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 50 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1 51 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 51 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1 52 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 52 1 2 . . . . . . . . . 4 . HA parsed_6ber 1 53 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 53 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1 54 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 54 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1 55 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 55 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1 56 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 56 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 57 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 57 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 58 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 58 1 2 . . . . . . . . . 9 . HB# parsed_6ber 1 59 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1 59 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 60 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 60 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 61 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 61 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 62 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 62 1 2 . . . . . . . . . 4 . HA parsed_6ber 1 63 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 63 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1 64 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 64 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1 65 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 65 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 66 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 66 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 67 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1 67 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 68 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 68 1 2 . . . . . . . . . 2 . HA parsed_6ber 1 69 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 69 1 2 . . . . . . . . . 4 . HA parsed_6ber 1 70 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 70 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1 71 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 71 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1 72 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 72 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 73 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 73 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 74 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1 74 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 75 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 75 1 2 . . . . . . . . . 4 . HG# parsed_6ber 1 76 1 1 . . . . . . . . . 4 . HA parsed_6ber 1 76 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1 77 1 1 . . . . . . . . . 4 . HA parsed_6ber 1 77 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1 78 1 1 . . . . . . . . . 4 . HA parsed_6ber 1 78 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 79 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1 79 1 2 . . . . . . . . . 5 . HA parsed_6ber 1 80 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1 80 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 81 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1 81 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 82 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1 82 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1 83 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1 83 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1 84 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1 84 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 85 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1 85 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 86 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 86 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1 87 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 87 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1 88 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 88 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 89 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 89 1 2 . . . . . . . . . 4 . HB2 parsed_6ber 1 90 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 90 1 2 . . . . . . . . . 4 . HB1 parsed_6ber 1 91 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 91 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 92 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1 92 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 93 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 93 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1 94 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 94 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1 95 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 95 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 96 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 96 1 2 . . . . . . . . . 4 . HA parsed_6ber 1 97 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 97 1 2 . . . . . . . . . 4 . HB1 parsed_6ber 1 98 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 98 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 99 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1 99 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 100 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1 100 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 101 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1 101 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 102 1 1 . . . . . . . . . 5 . HA parsed_6ber 1 102 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 103 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1 103 1 2 . . . . . . . . . 4 . HA parsed_6ber 1 104 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1 104 1 2 . . . . . . . . . 5 . HA parsed_6ber 1 105 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1 105 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 106 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1 106 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 107 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1 107 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 108 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1 108 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 109 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1 109 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 110 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1 110 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 111 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1 111 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 112 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 112 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 113 1 1 . . . . . . . . . 6 . HA parsed_6ber 1 113 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 114 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 114 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 115 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 115 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 116 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 116 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 117 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 117 1 2 . . . . . . . . . 7 . HD2 parsed_6ber 1 118 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 118 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1 119 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1 119 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 120 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 120 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 121 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 121 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 122 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 122 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 123 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 123 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1 124 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1 124 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 125 1 1 . . . . . . . . . 6 . HD2 parsed_6ber 1 125 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 126 1 1 . . . . . . . . . 6 . HD2 parsed_6ber 1 126 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 127 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 127 1 2 . . . . . . . . . 7 . HG1 parsed_6ber 1 128 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 128 1 2 . . . . . . . . . 7 . HG2 parsed_6ber 1 129 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1 129 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1 130 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1 130 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 131 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1 131 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 132 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1 132 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1 133 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1 133 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 134 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1 134 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 135 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 135 1 2 . . . . . . . . . 6 . HA parsed_6ber 1 136 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 136 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1 137 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 137 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1 138 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 138 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 139 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 139 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 140 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 140 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 141 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 141 1 2 . . . . . . . . . 7 . HB2 parsed_6ber 1 142 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 142 1 2 . . . . . . . . . 7 . HB1 parsed_6ber 1 143 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1 143 1 2 . . . . . . . . . 7 . HG2 parsed_6ber 1 144 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 144 1 2 . . . . . . . . . 5 . HA parsed_6ber 1 145 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 145 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 146 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 146 1 2 . . . . . . . . . 6 . HA parsed_6ber 1 147 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 147 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1 148 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 148 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1 149 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 149 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 150 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 150 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 151 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 151 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 152 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 152 1 2 . . . . . . . . . 7 . HB2 parsed_6ber 1 153 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1 153 1 2 . . . . . . . . . 7 . HB1 parsed_6ber 1 154 1 1 . . . . . . . . . 7 . HG1 parsed_6ber 1 154 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 155 1 1 . . . . . . . . . 8 . HD22 parsed_6ber 1 155 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1 156 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 156 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 157 1 1 . . . . . . . . . 8 . HA parsed_6ber 1 157 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1 158 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 158 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 159 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 159 1 2 . . . . . . . . . 8 . HA parsed_6ber 1 160 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 160 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1 161 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 161 1 2 . . . . . . . . . 8 . HD22 parsed_6ber 1 162 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1 162 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 163 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 163 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 164 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 164 1 2 . . . . . . . . . 8 . HA parsed_6ber 1 165 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 165 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1 166 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 166 1 2 . . . . . . . . . 8 . HD22 parsed_6ber 1 167 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 167 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 168 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 168 1 2 . . . . . . . . . 9 . HA parsed_6ber 1 169 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1 169 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 170 1 1 . . . . . . . . . 8 . HD21 parsed_6ber 1 170 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 171 1 1 . . . . . . . . . 8 . HD22 parsed_6ber 1 171 1 2 . . . . . . . . . 8 . HN parsed_6ber 1 172 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 172 1 2 . . . . . . . . . 9 . HA parsed_6ber 1 173 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 173 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 174 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 174 1 2 . . . . . . . . . 10 . HD1 parsed_6ber 1 175 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 175 1 2 . . . . . . . . . 2 . HN parsed_6ber 1 176 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 176 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1 177 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 177 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1 178 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 178 1 2 . . . . . . . . . 3 . HN parsed_6ber 1 179 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 179 1 2 . . . . . . . . . 7 . HA parsed_6ber 1 180 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 180 1 2 . . . . . . . . . 5 . HN parsed_6ber 1 181 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 181 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1 182 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 182 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1 183 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 183 1 2 . . . . . . . . . 6 . HN parsed_6ber 1 184 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 184 1 2 . . . . . . . . . 10 . HA parsed_6ber 1 185 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 185 1 2 . . . . . . . . . 10 . HD2 parsed_6ber 1 186 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1 186 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1 187 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 187 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1 188 1 1 . . . . . . . . . 10 . HA parsed_6ber 1 188 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1 189 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1 189 1 2 . . . . . . . . . 1 . HN parsed_6ber 1 190 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1 190 1 2 . . . . . . . . . 10 . HD2 parsed_6ber 1 191 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1 191 1 2 . . . . . . . . . 10 . HD1 parsed_6ber 1 192 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 192 1 2 . . . . . . . . . 9 . HA parsed_6ber 1 193 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 193 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 194 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 194 1 2 . . . . . . . . . 10 . HA parsed_6ber 1 195 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 195 1 2 . . . . . . . . . 10 . HB2 parsed_6ber 1 196 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1 196 1 2 . . . . . . . . . 10 . HB1 parsed_6ber 1 197 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1 197 1 2 . . . . . . . . . 9 . HA parsed_6ber 1 198 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1 198 1 2 . . . . . . . . . 9 . HN parsed_6ber 1 199 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1 199 1 2 . . . . . . . . . 10 . HA parsed_6ber 1 200 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1 200 1 2 . . . . . . . . . 10 . HB2 parsed_6ber 1 201 1 1 . . . . . . . . . 10 . HG# parsed_6ber 1 201 1 2 . . . . . . . . . 9 . HA parsed_6ber 1 202 1 1 . . . . . . . . . 10 . HG# parsed_6ber 1 202 1 2 . . . . . . . . . 9 . HN parsed_6ber 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_6ber 1 2 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 3 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 4 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 5 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 6 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 7 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 8 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 9 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 10 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 11 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 12 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 13 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 14 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 15 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 16 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 17 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 18 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 19 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 20 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 21 1 . . . . . 2.5 2.1 2.9 parsed_6ber 1 22 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 23 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 24 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 25 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 26 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 27 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 28 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 29 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 30 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 31 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 32 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 33 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 34 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 35 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 36 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 37 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 38 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 39 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 40 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 41 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 42 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 43 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 44 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 45 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 46 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 47 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 48 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 49 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 50 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 51 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 52 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 53 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 54 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 55 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 56 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 57 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 58 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 59 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 60 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 61 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 62 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 63 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 64 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 65 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 66 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 67 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 68 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 69 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 70 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 71 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 72 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 73 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 74 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 75 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 76 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 77 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 78 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 79 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 80 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 81 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 82 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 83 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 84 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 85 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 86 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 87 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 88 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 89 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 90 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 91 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 92 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 93 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 94 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 95 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 96 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 97 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 98 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 99 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 100 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 101 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 102 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 103 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 104 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 105 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 106 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 107 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 108 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 109 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 110 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 111 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 112 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 113 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 114 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 115 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 116 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 117 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 118 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 119 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 120 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 121 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 122 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 123 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 124 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 125 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 126 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 127 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 128 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 129 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 130 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 131 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 132 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 133 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 134 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 135 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 136 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 137 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 138 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 139 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 140 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 141 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 142 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 143 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 144 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 145 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 146 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 147 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 148 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 149 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 150 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 151 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 152 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 153 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 154 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 155 1 . . . . . 2.5 1.8 3.2 parsed_6ber 1 156 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 157 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 158 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 159 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 160 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 161 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 162 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 163 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 164 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 165 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 166 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 167 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 168 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 169 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 170 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 171 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 172 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 173 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 174 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 175 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 176 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 177 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 178 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 179 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 180 1 . . . . . 5.0 3.0 7.0 parsed_6ber 1 181 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 182 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 183 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 184 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 185 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 186 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 187 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 188 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 189 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 190 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 191 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 192 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 193 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 194 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 195 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 196 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 197 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1 198 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 199 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 200 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 201 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1 202 1 . . . . . 4.5 2.9 6.1 parsed_6ber 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 Marie peptide ! Updated 060817 mds Marie, 10mer GLU val ASP PRO glu his pro ASN ala 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 = 186 long range (j-i >6) = 7 short range (2 > j-i < 5) = 34 sequential (i to j) = 86 intraresidue (i to i) = 59 ------------------------------------------------------------------------! ! BACKBONE !! ! HA-HN !! ; 3 1 26 12 parsed_6ber 1 2 "assign ( resid 5 and name HA ) ( resid 3 and name HN ) 4.5 1.6 1.6 !real peak in nmr, most concerened about.. (misassigned?) violated in design too far" 35 1 35 161 parsed_6ber 1 3 "assign ( resid 9 and name HA ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in desig but not real in NMR very weak" 47 1 47 130 parsed_6ber 1 4 ; maybe shoul d be strong peak, the intensity is 1E^9 assign ( resid 10 and name HA ) ( resid 2 and name HN ) 4.5 1.6 1.6 ! HN-HN !! ; 49 75 55 12 parsed_6ber 1 5 "! HA-HA !!" 64 1 64 12 parsed_6ber 1 6 "assign ( resid 1 and name HB2 ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic?" 74 1 74 113 parsed_6ber 1 7 ; peak is real and maybe should be set to medium too close in design assign ( resid 1 and name HG# ) ( resid 2 and name HA ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion! ; 77 75 78 130 parsed_6ber 1 8 ; assign ( resid 1 and name HG# ) ( resid 3 and name HN ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion? assign ( resid 1 and name HG# ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic? ; 80 1 81 112 parsed_6ber 1 9 "missed at first, overlapped with a9/p10 weak peak, too close in design" 92 75 92 146 parsed_6ber 1 10 "assign ( resid 2 and name HG* ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but weak peak, maybe spin diffusion" 97 1 97 137 parsed_6ber 1 11 "weak real peak under T1 ridge, violated in desgin too close" 106 76 106 137 parsed_6ber 1 12 "assign ( resid 3 and name HB2 ) ( resid 2 and name HA ) 4.5 1.6 1.6 !very weak peak @500ms violated in design too far" 113 1 113 126 parsed_6ber 1 13 "assign ( resid 3 and name HB1 ) ( resid 10 and name HA ) 4.5 1.6 1.6 ! not even close to being a real peak..." 128 1 128 116 parsed_6ber 1 14 ; assign ( resid 4 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 ; 139 1 140 75 parsed_6ber 1 15 "assign ( resid 4 and name HD2 ) ( resid 2 and name HN ) 4.5 1.6 1.6" 145 1 145 75 parsed_6ber 1 16 "assign ( resid 4 and name HD1 ) ( resid 2 and name HN ) 4.5 1.6 1.6" 153 1 153 75 parsed_6ber 1 17 "assign ( resid 5 and name HG# ) ( resid 1 and name HA ) 4.5 1.6 1.6" 172 1 172 75 parsed_6ber 1 18 "assign ( resid 6 and name HD2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 !weak peak @500ms, violated on design to far" 193 1 193 120 parsed_6ber 1 19 "real peak, under water, violated in design too close" 205 75 205 129 parsed_6ber 1 20 "real peak, under water, violated in design too close" 216 75 216 129 parsed_6ber 1 21 "assign ( resid 7 and name HD1 ) ( resid 7 and name HG1 ) 4.5 1.6 1.6" 224 1 224 75 parsed_6ber 1 22 "assign ( resid 8 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6" 231 1 231 75 parsed_6ber 1 23 "assign ( resid 9 and name HB# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but not real in NMR very weak" 253 1 253 130 parsed_6ber 1 24 "of all the side chain proline to 1HN this is only real peak besides ha" 271 77 271 149 parsed_6ber 1 25 "assign ( resid 10 and name HD2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! did not find real peak, looks like noise?" 274 1 274 120 parsed_6ber 1 26 "assign ( resid 10 and name HG# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! broad and weak, also overlap" 284 1 284 106 parsed_6ber 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: marie_noe_.tbl" 1 1 1 35 parsed_6ber 1 2 ~ 287 1 287 1 parsed_6ber 1 stop_ save_
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