NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
611232 | 2nbi | 4958 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 118 |
data_2nbi_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2nbi _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_2nbi 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2nbi _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 2nbi "Master copy" parsed_2nbi stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2nbi _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 2nbi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nbi 1 1 2nbi.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 118 parsed_2nbi 1 1 2nbi.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2nbi 1 1 2nbi.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2nbi 1 1 2nbi.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2nbi 1 1 2nbi.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nbi 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2nbi _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_2nbi 1 2 1 . . . parsed_2nbi 1 3 1 . . . parsed_2nbi 1 4 1 . . . parsed_2nbi 1 5 1 . . . parsed_2nbi 1 6 1 . . . parsed_2nbi 1 7 1 . . . parsed_2nbi 1 8 1 . . . parsed_2nbi 1 9 1 . . . parsed_2nbi 1 10 1 . . . parsed_2nbi 1 11 1 . . . parsed_2nbi 1 12 1 . . . parsed_2nbi 1 13 1 . . . parsed_2nbi 1 14 1 . . . parsed_2nbi 1 15 1 . . . parsed_2nbi 1 16 1 . . . parsed_2nbi 1 17 1 . . . parsed_2nbi 1 18 1 . . . parsed_2nbi 1 19 1 . . . parsed_2nbi 1 20 1 . . . parsed_2nbi 1 21 1 . . . parsed_2nbi 1 22 1 . . . parsed_2nbi 1 23 1 . . . parsed_2nbi 1 24 1 . . . parsed_2nbi 1 25 1 . . . parsed_2nbi 1 26 1 . . . parsed_2nbi 1 27 1 . . . parsed_2nbi 1 28 1 . . . parsed_2nbi 1 29 1 . . . parsed_2nbi 1 30 1 . . . parsed_2nbi 1 31 1 . . . parsed_2nbi 1 32 1 . . . parsed_2nbi 1 33 1 . . . parsed_2nbi 1 34 1 . . . parsed_2nbi 1 35 1 . . . parsed_2nbi 1 36 1 . . . parsed_2nbi 1 37 1 . . . parsed_2nbi 1 38 1 . . . parsed_2nbi 1 39 1 . . . parsed_2nbi 1 40 1 . . . parsed_2nbi 1 41 1 . . . parsed_2nbi 1 42 1 . . . parsed_2nbi 1 43 1 . . . parsed_2nbi 1 44 1 . . . parsed_2nbi 1 45 1 . . . parsed_2nbi 1 46 1 . . . parsed_2nbi 1 47 1 . . . parsed_2nbi 1 48 1 . . . parsed_2nbi 1 49 1 . . . parsed_2nbi 1 50 1 . . . parsed_2nbi 1 51 1 . . . parsed_2nbi 1 52 1 . . . parsed_2nbi 1 53 1 . . . parsed_2nbi 1 54 1 . . . parsed_2nbi 1 55 1 . . . parsed_2nbi 1 56 1 . . . parsed_2nbi 1 57 1 . . . parsed_2nbi 1 58 1 . . . parsed_2nbi 1 59 1 . . . parsed_2nbi 1 60 1 . . . parsed_2nbi 1 61 1 . . . parsed_2nbi 1 62 1 . . . parsed_2nbi 1 63 1 . . . parsed_2nbi 1 64 1 . . . parsed_2nbi 1 65 1 . . . parsed_2nbi 1 66 1 . . . parsed_2nbi 1 67 1 . . . parsed_2nbi 1 68 1 . . . parsed_2nbi 1 69 1 . . . parsed_2nbi 1 70 1 . . . parsed_2nbi 1 71 1 . . . parsed_2nbi 1 72 1 . . . parsed_2nbi 1 73 1 . . . parsed_2nbi 1 74 1 . . . parsed_2nbi 1 75 1 . . . parsed_2nbi 1 76 1 . . . parsed_2nbi 1 77 1 . . . parsed_2nbi 1 78 1 . . . parsed_2nbi 1 79 1 . . . parsed_2nbi 1 80 1 . . . parsed_2nbi 1 81 1 . . . parsed_2nbi 1 82 1 . . . parsed_2nbi 1 83 1 . . . parsed_2nbi 1 84 1 . . . parsed_2nbi 1 85 1 . . . parsed_2nbi 1 86 1 . . . parsed_2nbi 1 87 1 . . . parsed_2nbi 1 88 1 . . . parsed_2nbi 1 89 1 . . . parsed_2nbi 1 90 1 . . . parsed_2nbi 1 91 1 . . . parsed_2nbi 1 92 1 . . . parsed_2nbi 1 93 1 . . . parsed_2nbi 1 94 1 . . . parsed_2nbi 1 95 1 . . . parsed_2nbi 1 96 1 . . . parsed_2nbi 1 97 1 . . . parsed_2nbi 1 98 1 . . . parsed_2nbi 1 99 1 . . . parsed_2nbi 1 100 1 . . . parsed_2nbi 1 101 1 . . . parsed_2nbi 1 102 1 . . . parsed_2nbi 1 103 1 . . . parsed_2nbi 1 104 1 . . . parsed_2nbi 1 105 1 . . . parsed_2nbi 1 106 1 . . . parsed_2nbi 1 107 1 . . . parsed_2nbi 1 108 1 . . . parsed_2nbi 1 109 1 . . . parsed_2nbi 1 110 1 . . . parsed_2nbi 1 111 1 . . . parsed_2nbi 1 112 1 . . . parsed_2nbi 1 113 1 . . . parsed_2nbi 1 114 1 . . . parsed_2nbi 1 115 1 . . . parsed_2nbi 1 116 1 . . . parsed_2nbi 1 117 1 . . . parsed_2nbi 1 118 1 . . . parsed_2nbi 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 . . . . . . . . . 131 . HE parsed_2nbi 1 1 1 2 . . . . . . . . . 130 . O parsed_2nbi 1 2 1 1 . . . . . . . . . 122 . HE parsed_2nbi 1 2 1 2 . . . . . . . . . 123 . O parsed_2nbi 1 3 1 1 . . . . . . . . . 131 . HN parsed_2nbi 1 3 1 2 . . . . . . . . . 126 . O parsed_2nbi 1 4 1 1 . . . . . . . . . 113 . HN parsed_2nbi 1 4 1 2 . . . . . . . . . 110 . O parsed_2nbi 1 5 1 1 . . . . . . . . . 130 . HN parsed_2nbi 1 5 1 2 . . . . . . . . . 126 . O parsed_2nbi 1 6 1 1 . . . . . . . . . 142 . HD21 parsed_2nbi 1 6 1 2 . . . . . . . . . 141 . O parsed_2nbi 1 7 1 1 . . . . . . . . . 149 . HN parsed_2nbi 1 7 1 2 . . . . . . . . . 124 . O parsed_2nbi 1 8 1 1 . . . . . . . . . 166 . HN parsed_2nbi 1 8 1 2 . . . . . . . . . 163 . O parsed_2nbi 1 9 1 1 . . . . . . . . . 175 . HN parsed_2nbi 1 9 1 2 . . . . . . . . . 172 . O parsed_2nbi 1 10 1 1 . . . . . . . . . 119 . O parsed_2nbi 1 10 1 2 . . . . . . . . . 163 . HN parsed_2nbi 1 11 1 1 . . . . . . . . . 119 . O parsed_2nbi 1 11 1 2 . . . . . . . . . 163 . N parsed_2nbi 1 12 1 1 . . . . . . . . . 111 . O parsed_2nbi 1 12 1 2 . . . . . . . . . 114 . HN parsed_2nbi 1 13 1 1 . . . . . . . . . 111 . O parsed_2nbi 1 13 1 2 . . . . . . . . . 114 . N parsed_2nbi 1 14 1 1 . . . . . . . . . 124 . O parsed_2nbi 1 14 1 2 . . . . . . . . . 126 . HN parsed_2nbi 1 15 1 1 . . . . . . . . . 124 . O parsed_2nbi 1 15 1 2 . . . . . . . . . 126 . N parsed_2nbi 1 16 1 1 . . . . . . . . . 110 . O parsed_2nbi 1 16 1 2 . . . . . . . . . 114 . HN parsed_2nbi 1 17 1 1 . . . . . . . . . 110 . O parsed_2nbi 1 17 1 2 . . . . . . . . . 114 . N parsed_2nbi 1 18 1 1 . . . . . . . . . 133 . O parsed_2nbi 1 18 1 2 . . . . . . . . . 136 . HN parsed_2nbi 1 19 1 1 . . . . . . . . . 133 . O parsed_2nbi 1 19 1 2 . . . . . . . . . 136 . N parsed_2nbi 1 20 1 1 . . . . . . . . . 131 . O parsed_2nbi 1 20 1 2 . . . . . . . . . 134 . HN parsed_2nbi 1 21 1 1 . . . . . . . . . 131 . O parsed_2nbi 1 21 1 2 . . . . . . . . . 134 . N parsed_2nbi 1 22 1 1 . . . . . . . . . 241 . HN parsed_2nbi 1 22 1 2 . . . . . . . . . 216 . O parsed_2nbi 1 23 1 1 . . . . . . . . . 214 . HE parsed_2nbi 1 23 1 2 . . . . . . . . . 215 . O parsed_2nbi 1 24 1 1 . . . . . . . . . 218 . HN parsed_2nbi 1 24 1 2 . . . . . . . . . 216 . O parsed_2nbi 1 25 1 1 . . . . . . . . . 221 . HN parsed_2nbi 1 25 1 2 . . . . . . . . . 218 . O parsed_2nbi 1 26 1 1 . . . . . . . . . 222 . HN parsed_2nbi 1 26 1 2 . . . . . . . . . 218 . O parsed_2nbi 1 27 1 1 . . . . . . . . . 223 . HN parsed_2nbi 1 27 1 2 . . . . . . . . . 218 . O parsed_2nbi 1 28 1 1 . . . . . . . . . 223 . HE parsed_2nbi 1 28 1 2 . . . . . . . . . 222 . O parsed_2nbi 1 29 1 1 . . . . . . . . . 234 . HD21 parsed_2nbi 1 29 1 2 . . . . . . . . . 233 . O parsed_2nbi 1 30 1 1 . . . . . . . . . 246 . HN parsed_2nbi 1 30 1 2 . . . . . . . . . 244 . O parsed_2nbi 1 31 1 1 . . . . . . . . . 258 . HN parsed_2nbi 1 31 1 2 . . . . . . . . . 255 . O parsed_2nbi 1 32 1 1 . . . . . . . . . 262 . HN parsed_2nbi 1 32 1 2 . . . . . . . . . 266 . OG1 parsed_2nbi 1 33 1 1 . . . . . . . . . 267 . HN parsed_2nbi 1 33 1 2 . . . . . . . . . 264 . O parsed_2nbi 1 34 1 1 . . . . . . . . . 240 . O parsed_2nbi 1 34 1 2 . . . . . . . . . 231 . HZ parsed_2nbi 1 35 1 1 . . . . . . . . . 211 . O parsed_2nbi 1 35 1 2 . . . . . . . . . 255 . HN parsed_2nbi 1 36 1 1 . . . . . . . . . 211 . O parsed_2nbi 1 36 1 2 . . . . . . . . . 255 . N parsed_2nbi 1 37 1 1 . . . . . . . . . 203 . O parsed_2nbi 1 37 1 2 . . . . . . . . . 206 . HN parsed_2nbi 1 38 1 1 . . . . . . . . . 203 . O parsed_2nbi 1 38 1 2 . . . . . . . . . 206 . N parsed_2nbi 1 39 1 1 . . . . . . . . . 216 . O parsed_2nbi 1 39 1 2 . . . . . . . . . 218 . HN parsed_2nbi 1 40 1 1 . . . . . . . . . 216 . O parsed_2nbi 1 40 1 2 . . . . . . . . . 218 . N parsed_2nbi 1 41 1 1 . . . . . . . . . 265 . O parsed_2nbi 1 41 1 2 . . . . . . . . . 262 . HN parsed_2nbi 1 42 1 1 . . . . . . . . . 265 . O parsed_2nbi 1 42 1 2 . . . . . . . . . 262 . N parsed_2nbi 1 43 1 1 . . . . . . . . . 225 . O parsed_2nbi 1 43 1 2 . . . . . . . . . 228 . HN parsed_2nbi 1 44 1 1 . . . . . . . . . 225 . O parsed_2nbi 1 44 1 2 . . . . . . . . . 228 . N parsed_2nbi 1 45 1 1 . . . . . . . . . 410 . O parsed_2nbi 1 45 1 2 . . . . . . . . . 413 . HN parsed_2nbi 1 46 1 1 . . . . . . . . . 410 . O parsed_2nbi 1 46 1 2 . . . . . . . . . 413 . N parsed_2nbi 1 47 1 1 . . . . . . . . . 430 . O parsed_2nbi 1 47 1 2 . . . . . . . . . 432 . HN parsed_2nbi 1 48 1 1 . . . . . . . . . 430 . O parsed_2nbi 1 48 1 2 . . . . . . . . . 432 . N parsed_2nbi 1 49 1 1 . . . . . . . . . 303 . HN parsed_2nbi 1 49 1 2 . . . . . . . . . 300 . O parsed_2nbi 1 50 1 1 . . . . . . . . . 312 . HE parsed_2nbi 1 50 1 2 . . . . . . . . . 313 . O parsed_2nbi 1 51 1 1 . . . . . . . . . 321 . HN parsed_2nbi 1 51 1 2 . . . . . . . . . 316 . O parsed_2nbi 1 52 1 1 . . . . . . . . . 323 . HN parsed_2nbi 1 52 1 2 . . . . . . . . . 316 . O parsed_2nbi 1 53 1 1 . . . . . . . . . 358 . HN parsed_2nbi 1 53 1 2 . . . . . . . . . 355 . O parsed_2nbi 1 54 1 1 . . . . . . . . . 367 . HN parsed_2nbi 1 54 1 2 . . . . . . . . . 364 . O parsed_2nbi 1 55 1 1 . . . . . . . . . 309 . O parsed_2nbi 1 55 1 2 . . . . . . . . . 355 . HN parsed_2nbi 1 56 1 1 . . . . . . . . . 309 . O parsed_2nbi 1 56 1 2 . . . . . . . . . 355 . N parsed_2nbi 1 57 1 1 . . . . . . . . . 301 . O parsed_2nbi 1 57 1 2 . . . . . . . . . 304 . HN parsed_2nbi 1 58 1 1 . . . . . . . . . 301 . O parsed_2nbi 1 58 1 2 . . . . . . . . . 304 . N parsed_2nbi 1 59 1 1 . . . . . . . . . 300 . O parsed_2nbi 1 59 1 2 . . . . . . . . . 304 . HN parsed_2nbi 1 60 1 1 . . . . . . . . . 300 . O parsed_2nbi 1 60 1 2 . . . . . . . . . 304 . N parsed_2nbi 1 61 1 1 . . . . . . . . . 325 . O parsed_2nbi 1 61 1 2 . . . . . . . . . 328 . HN parsed_2nbi 1 62 1 1 . . . . . . . . . 325 . O parsed_2nbi 1 62 1 2 . . . . . . . . . 328 . N parsed_2nbi 1 63 1 1 . . . . . . . . . 343 . O parsed_2nbi 1 63 1 2 . . . . . . . . . 345 . HN parsed_2nbi 1 64 1 1 . . . . . . . . . 343 . O parsed_2nbi 1 64 1 2 . . . . . . . . . 345 . N parsed_2nbi 1 65 1 1 . . . . . . . . . 323 . O parsed_2nbi 1 65 1 2 . . . . . . . . . 326 . HN parsed_2nbi 1 66 1 1 . . . . . . . . . 323 . O parsed_2nbi 1 66 1 2 . . . . . . . . . 326 . N parsed_2nbi 1 67 1 1 . . . . . . . . . 427 . O parsed_2nbi 1 67 1 2 . . . . . . . . . 418 . HZ parsed_2nbi 1 68 1 1 . . . . . . . . . 398 . O parsed_2nbi 1 68 1 2 . . . . . . . . . 442 . HN parsed_2nbi 1 69 1 1 . . . . . . . . . 398 . O parsed_2nbi 1 69 1 2 . . . . . . . . . 442 . N parsed_2nbi 1 70 1 1 . . . . . . . . . 390 . O parsed_2nbi 1 70 1 2 . . . . . . . . . 393 . HN parsed_2nbi 1 71 1 1 . . . . . . . . . 390 . O parsed_2nbi 1 71 1 2 . . . . . . . . . 393 . N parsed_2nbi 1 72 1 1 . . . . . . . . . 403 . O parsed_2nbi 1 72 1 2 . . . . . . . . . 405 . HN parsed_2nbi 1 73 1 1 . . . . . . . . . 403 . O parsed_2nbi 1 73 1 2 . . . . . . . . . 405 . N parsed_2nbi 1 74 1 1 . . . . . . . . . 396 . O parsed_2nbi 1 74 1 2 . . . . . . . . . 401 . HN parsed_2nbi 1 75 1 1 . . . . . . . . . 396 . O parsed_2nbi 1 75 1 2 . . . . . . . . . 401 . N parsed_2nbi 1 76 1 1 . . . . . . . . . 452 . O parsed_2nbi 1 76 1 2 . . . . . . . . . 449 . HN parsed_2nbi 1 77 1 1 . . . . . . . . . 452 . O parsed_2nbi 1 77 1 2 . . . . . . . . . 449 . N parsed_2nbi 1 78 1 1 . . . . . . . . . 389 . O parsed_2nbi 1 78 1 2 . . . . . . . . . 393 . HN parsed_2nbi 1 79 1 1 . . . . . . . . . 389 . O parsed_2nbi 1 79 1 2 . . . . . . . . . 393 . N parsed_2nbi 1 80 1 1 . . . . . . . . . 412 . O parsed_2nbi 1 80 1 2 . . . . . . . . . 415 . HN parsed_2nbi 1 81 1 1 . . . . . . . . . 412 . O parsed_2nbi 1 81 1 2 . . . . . . . . . 415 . N parsed_2nbi 1 82 1 1 . . . . . . . . . 410 . O parsed_2nbi 1 82 1 2 . . . . . . . . . 413 . HN parsed_2nbi 1 83 1 1 . . . . . . . . . 410 . O parsed_2nbi 1 83 1 2 . . . . . . . . . 413 . N parsed_2nbi 1 84 1 1 . . . . . . . . . 414 . O parsed_2nbi 1 84 1 2 . . . . . . . . . 416 . HN parsed_2nbi 1 85 1 1 . . . . . . . . . 414 . O parsed_2nbi 1 85 1 2 . . . . . . . . . 416 . N parsed_2nbi 1 86 1 1 . . . . . . . . . 430 . O parsed_2nbi 1 86 1 2 . . . . . . . . . 432 . HN parsed_2nbi 1 87 1 1 . . . . . . . . . 430 . O parsed_2nbi 1 87 1 2 . . . . . . . . . 432 . N parsed_2nbi 1 88 1 1 . . . . . . . . . 411 . O parsed_2nbi 1 88 1 2 . . . . . . . . . 414 . HN parsed_2nbi 1 89 1 1 . . . . . . . . . 411 . O parsed_2nbi 1 89 1 2 . . . . . . . . . 414 . N parsed_2nbi 1 90 1 1 . . . . . . . . . 392 . HN parsed_2nbi 1 90 1 2 . . . . . . . . . 389 . O parsed_2nbi 1 91 1 1 . . . . . . . . . 396 . HN parsed_2nbi 1 91 1 2 . . . . . . . . . 394 . O parsed_2nbi 1 92 1 1 . . . . . . . . . 401 . HE parsed_2nbi 1 92 1 2 . . . . . . . . . 402 . O parsed_2nbi 1 93 1 1 . . . . . . . . . 408 . HN parsed_2nbi 1 93 1 2 . . . . . . . . . 405 . O parsed_2nbi 1 94 1 1 . . . . . . . . . 409 . HN parsed_2nbi 1 94 1 2 . . . . . . . . . 405 . O parsed_2nbi 1 95 1 1 . . . . . . . . . 410 . HN parsed_2nbi 1 95 1 2 . . . . . . . . . 405 . O parsed_2nbi 1 96 1 1 . . . . . . . . . 410 . HE parsed_2nbi 1 96 1 2 . . . . . . . . . 409 . O parsed_2nbi 1 97 1 1 . . . . . . . . . 421 . HD21 parsed_2nbi 1 97 1 2 . . . . . . . . . 420 . O parsed_2nbi 1 98 1 1 . . . . . . . . . 433 . HN parsed_2nbi 1 98 1 2 . . . . . . . . . 431 . O parsed_2nbi 1 99 1 1 . . . . . . . . . 428 . HN parsed_2nbi 1 99 1 2 . . . . . . . . . 403 . O parsed_2nbi 1 100 1 1 . . . . . . . . . 445 . HN parsed_2nbi 1 100 1 2 . . . . . . . . . 442 . O parsed_2nbi 1 101 1 1 . . . . . . . . . 449 . HN parsed_2nbi 1 101 1 2 . . . . . . . . . 453 . OG1 parsed_2nbi 1 102 1 1 . . . . . . . . . 454 . HN parsed_2nbi 1 102 1 2 . . . . . . . . . 451 . O parsed_2nbi 1 103 1 1 . . . . . . . . . 520 . HN parsed_2nbi 1 103 1 2 . . . . . . . . . 518 . O parsed_2nbi 1 104 1 1 . . . . . . . . . 516 . HE parsed_2nbi 1 104 1 2 . . . . . . . . . 517 . O parsed_2nbi 1 105 1 1 . . . . . . . . . 525 . HN parsed_2nbi 1 105 1 2 . . . . . . . . . 520 . O parsed_2nbi 1 106 1 1 . . . . . . . . . 545 . HN parsed_2nbi 1 106 1 2 . . . . . . . . . 518 . O parsed_2nbi 1 107 1 1 . . . . . . . . . 562 . HN parsed_2nbi 1 107 1 2 . . . . . . . . . 559 . O parsed_2nbi 1 108 1 1 . . . . . . . . . 571 . HN parsed_2nbi 1 108 1 2 . . . . . . . . . 568 . O parsed_2nbi 1 109 1 1 . . . . . . . . . 527 . HN parsed_2nbi 1 109 1 2 . . . . . . . . . 520 . O parsed_2nbi 1 110 1 1 . . . . . . . . . 513 . O parsed_2nbi 1 110 1 2 . . . . . . . . . 559 . HN parsed_2nbi 1 111 1 1 . . . . . . . . . 513 . O parsed_2nbi 1 111 1 2 . . . . . . . . . 559 . N parsed_2nbi 1 112 1 1 . . . . . . . . . 505 . O parsed_2nbi 1 112 1 2 . . . . . . . . . 508 . HN parsed_2nbi 1 113 1 1 . . . . . . . . . 505 . O parsed_2nbi 1 113 1 2 . . . . . . . . . 508 . N parsed_2nbi 1 114 1 1 . . . . . . . . . 518 . O parsed_2nbi 1 114 1 2 . . . . . . . . . 520 . HN parsed_2nbi 1 115 1 1 . . . . . . . . . 518 . O parsed_2nbi 1 115 1 2 . . . . . . . . . 520 . N parsed_2nbi 1 116 1 1 . . . . . . . . . 527 . O parsed_2nbi 1 116 1 2 . . . . . . . . . 530 . HN parsed_2nbi 1 117 1 1 . . . . . . . . . 527 . O parsed_2nbi 1 117 1 2 . . . . . . . . . 530 . N parsed_2nbi 1 118 1 1 . . . . . . . . . 94 . HA parsed_2nbi 1 118 1 2 . . . . . . . . . 95 . HN parsed_2nbi 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 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1 2 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1 3 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1 4 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1 5 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1 6 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1 7 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1 8 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1 9 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1 10 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 11 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 12 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 13 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 14 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 15 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 16 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 17 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 18 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 19 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 20 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 21 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 22 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1 23 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1 24 1 . . . . . 2.204448 1.873781 2.535115 parsed_2nbi 1 25 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1 26 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1 27 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1 28 1 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1 29 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1 30 1 . . . . . 1.724115 1.650000 1.982732 parsed_2nbi 1 31 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1 32 1 . . . . . 2.208285 1.877042 2.539528 parsed_2nbi 1 33 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1 34 1 . . . . . 2.0 1.5 2.3 parsed_2nbi 1 35 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 36 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 37 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 38 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 39 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 40 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 41 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 42 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 43 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 44 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 45 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 46 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 47 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 48 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 49 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1 50 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1 51 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1 52 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1 53 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1 54 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1 55 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 56 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 57 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 58 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 59 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 60 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 61 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 62 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 63 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 64 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 65 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 66 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 67 1 . . . . . 2.0 1.5 2.3 parsed_2nbi 1 68 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 69 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 70 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 71 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 72 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 73 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 74 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 75 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 76 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 77 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 78 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 79 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 80 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 81 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 82 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 83 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 84 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 85 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 86 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 87 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 88 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 89 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 90 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1 91 1 . . . . . 1.650000 1.650000 1.886989 parsed_2nbi 1 92 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1 93 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1 94 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1 95 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1 96 1 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1 97 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1 98 1 . . . . . 1.724115 1.650000 1.982732 parsed_2nbi 1 99 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1 100 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1 101 1 . . . . . 2.208285 1.877042 2.539528 parsed_2nbi 1 102 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1 103 1 . . . . . 2.204448 1.873781 2.535115 parsed_2nbi 1 104 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1 105 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1 106 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1 107 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1 108 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1 109 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1 110 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 111 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 112 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 113 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 114 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 115 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 116 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1 117 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1 118 1 . . . . . 2.193646 1.864599 2.522693 parsed_2nbi 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 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 1 83 1 175 parsed_2nbi 1 2 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 2 83 2 175 parsed_2nbi 1 3 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 3 83 3 174 parsed_2nbi 1 4 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 4 83 4 175 parsed_2nbi 1 5 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 5 83 5 175 parsed_2nbi 1 6 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 6 85 6 177 parsed_2nbi 1 7 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 7 83 7 175 parsed_2nbi 1 8 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 8 83 8 174 parsed_2nbi 1 9 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 9 83 9 175 parsed_2nbi 1 10 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 22 83 22 175 parsed_2nbi 1 11 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 23 83 23 175 parsed_2nbi 1 12 "Samplesize=1 P_HB=1.00 stddev=0.16533 cdev=0.16533 KST=-1.00000 !HBOND angle=31.61 +-13.50" 24 83 24 175 parsed_2nbi 1 13 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 25 83 25 174 parsed_2nbi 1 14 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 26 83 26 175 parsed_2nbi 1 15 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 27 83 27 174 parsed_2nbi 1 16 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 28 83 28 175 parsed_2nbi 1 17 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 29 85 29 177 parsed_2nbi 1 18 "Samplesize=1 P_HB=1.00 stddev=0.12931 cdev=0.12931 KST=-1.00000 !HBOND angle=24.45 +-13.50" 30 83 30 175 parsed_2nbi 1 19 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 31 83 31 174 parsed_2nbi 1 20 "Samplesize=1 P_HB=1.00 stddev=0.16562 cdev=0.16562 KST=-1.00000 !HBOND angle=12.68 +-13.50" 32 85 32 177 parsed_2nbi 1 21 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 33 83 33 175 parsed_2nbi 1 22 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 49 83 49 175 parsed_2nbi 1 23 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 50 83 50 175 parsed_2nbi 1 24 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 51 83 51 174 parsed_2nbi 1 25 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 52 83 52 174 parsed_2nbi 1 26 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 53 83 53 174 parsed_2nbi 1 27 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 54 83 54 175 parsed_2nbi 1 28 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 90 83 90 175 parsed_2nbi 1 29 "Samplesize=1 P_HB=1.00 stddev=0.11849 cdev=0.11849 KST=-1.00000 !HBOND angle=22.94 +-13.50" 91 83 91 175 parsed_2nbi 1 30 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 92 83 92 175 parsed_2nbi 1 31 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 93 83 93 174 parsed_2nbi 1 32 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 94 83 94 175 parsed_2nbi 1 33 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 95 83 95 174 parsed_2nbi 1 34 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 96 83 96 175 parsed_2nbi 1 35 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 97 85 97 177 parsed_2nbi 1 36 "Samplesize=1 P_HB=1.00 stddev=0.12931 cdev=0.12931 KST=-1.00000 !HBOND angle=24.45 +-13.50" 98 83 98 175 parsed_2nbi 1 37 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 99 83 99 175 parsed_2nbi 1 38 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 100 83 100 174 parsed_2nbi 1 39 "Samplesize=1 P_HB=1.00 stddev=0.16562 cdev=0.16562 KST=-1.00000 !HBOND angle=12.68 +-13.50" 101 85 101 177 parsed_2nbi 1 40 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 102 83 102 175 parsed_2nbi 1 41 "Samplesize=1 P_HB=1.00 stddev=0.16533 cdev=0.16533 KST=-1.00000 !HBOND angle=31.61 +-13.50" 103 83 103 175 parsed_2nbi 1 42 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 104 83 104 175 parsed_2nbi 1 43 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 105 83 105 174 parsed_2nbi 1 44 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 106 83 106 175 parsed_2nbi 1 45 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 107 83 107 174 parsed_2nbi 1 46 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 108 83 108 175 parsed_2nbi 1 47 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 109 83 109 174 parsed_2nbi 1 48 "Samplesize=1 stddev=0.16452 cdev=0.16452 KST=-1.00000" 117 154 117 209 parsed_2nbi 1 stop_ save_
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