NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
51941 | 2kbx | 16063 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 46 |
data_2kbx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kbx _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_2kbx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kbx _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 2kbx "Master copy" parsed_2kbx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kbx _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 2kbx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kbx 1 1 2kbx.mr . . XPLOR/CNS 2 distance NOE simple 1151 parsed_2kbx 1 1 2kbx.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_2kbx 1 1 2kbx.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2kbx 1 1 2kbx.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kbx 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2kbx _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2kbx 1 2 1 . . . parsed_2kbx 1 3 1 . . . parsed_2kbx 1 4 1 . . . parsed_2kbx 1 5 1 . . . parsed_2kbx 1 6 1 . . . parsed_2kbx 1 7 1 . . . parsed_2kbx 1 8 1 . . . parsed_2kbx 1 9 1 . . . parsed_2kbx 1 10 1 . . . parsed_2kbx 1 11 1 . . . parsed_2kbx 1 12 1 . . . parsed_2kbx 1 13 1 . . . parsed_2kbx 1 14 1 . . . parsed_2kbx 1 15 1 . . . parsed_2kbx 1 16 1 . . . parsed_2kbx 1 17 1 . . . parsed_2kbx 1 18 1 . . . parsed_2kbx 1 19 1 . . . parsed_2kbx 1 20 1 . . . parsed_2kbx 1 21 1 . . . parsed_2kbx 1 22 1 . . . parsed_2kbx 1 23 1 . . . parsed_2kbx 1 24 1 . . . parsed_2kbx 1 25 1 . . . parsed_2kbx 1 26 1 . . . parsed_2kbx 1 27 1 . . . parsed_2kbx 1 28 1 . . . parsed_2kbx 1 29 1 . . . parsed_2kbx 1 30 1 . . . parsed_2kbx 1 31 1 . . . parsed_2kbx 1 32 1 . . . parsed_2kbx 1 33 1 . . . parsed_2kbx 1 34 1 . . . parsed_2kbx 1 35 1 . . . parsed_2kbx 1 36 1 . . . parsed_2kbx 1 37 1 . . . parsed_2kbx 1 38 1 . . . parsed_2kbx 1 39 1 . . . parsed_2kbx 1 40 1 . . . parsed_2kbx 1 41 1 . . . parsed_2kbx 1 42 1 . . . parsed_2kbx 1 43 1 . . . parsed_2kbx 1 44 1 . . . parsed_2kbx 1 45 1 . . . parsed_2kbx 1 46 1 . . . parsed_2kbx 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 . . . . . . . . . 210 . N parsed_2kbx 1 1 1 2 . . . . . . . . . 215 . O parsed_2kbx 1 2 1 1 . . . . . . . . . 210 . HN parsed_2kbx 1 2 1 2 . . . . . . . . . 215 . O parsed_2kbx 1 3 1 1 . . . . . . . . . 214 . N parsed_2kbx 1 3 1 2 . . . . . . . . . 210 . O parsed_2kbx 1 4 1 1 . . . . . . . . . 214 . HN parsed_2kbx 1 4 1 2 . . . . . . . . . 210 . O parsed_2kbx 1 5 1 1 . . . . . . . . . 217 . N parsed_2kbx 1 5 1 2 . . . . . . . . . 208 . O parsed_2kbx 1 6 1 1 . . . . . . . . . 217 . HN parsed_2kbx 1 6 1 2 . . . . . . . . . 208 . O parsed_2kbx 1 7 1 1 . . . . . . . . . 224 . N parsed_2kbx 1 7 1 2 . . . . . . . . . 231 . O parsed_2kbx 1 8 1 1 . . . . . . . . . 224 . HN parsed_2kbx 1 8 1 2 . . . . . . . . . 231 . O parsed_2kbx 1 9 1 1 . . . . . . . . . 231 . N parsed_2kbx 1 9 1 2 . . . . . . . . . 224 . O parsed_2kbx 1 10 1 1 . . . . . . . . . 231 . HN parsed_2kbx 1 10 1 2 . . . . . . . . . 224 . O parsed_2kbx 1 11 1 1 . . . . . . . . . 226 . N parsed_2kbx 1 11 1 2 . . . . . . . . . 229 . O parsed_2kbx 1 12 1 1 . . . . . . . . . 226 . HN parsed_2kbx 1 12 1 2 . . . . . . . . . 229 . O parsed_2kbx 1 13 1 1 . . . . . . . . . 238 . N parsed_2kbx 1 13 1 2 . . . . . . . . . 243 . O parsed_2kbx 1 14 1 1 . . . . . . . . . 238 . HN parsed_2kbx 1 14 1 2 . . . . . . . . . 243 . O parsed_2kbx 1 15 1 1 . . . . . . . . . 245 . N parsed_2kbx 1 15 1 2 . . . . . . . . . 236 . O parsed_2kbx 1 16 1 1 . . . . . . . . . 245 . HN parsed_2kbx 1 16 1 2 . . . . . . . . . 236 . O parsed_2kbx 1 17 1 1 . . . . . . . . . 243 . N parsed_2kbx 1 17 1 2 . . . . . . . . . 238 . O parsed_2kbx 1 18 1 1 . . . . . . . . . 243 . HN parsed_2kbx 1 18 1 2 . . . . . . . . . 238 . O parsed_2kbx 1 19 1 1 . . . . . . . . . 251 . N parsed_2kbx 1 19 1 2 . . . . . . . . . 258 . O parsed_2kbx 1 20 1 1 . . . . . . . . . 251 . HN parsed_2kbx 1 20 1 2 . . . . . . . . . 258 . O parsed_2kbx 1 21 1 1 . . . . . . . . . 258 . N parsed_2kbx 1 21 1 2 . . . . . . . . . 251 . O parsed_2kbx 1 22 1 1 . . . . . . . . . 258 . HN parsed_2kbx 1 22 1 2 . . . . . . . . . 251 . O parsed_2kbx 1 23 1 1 . . . . . . . . . 253 . N parsed_2kbx 1 23 1 2 . . . . . . . . . 256 . O parsed_2kbx 1 24 1 1 . . . . . . . . . 253 . HN parsed_2kbx 1 24 1 2 . . . . . . . . . 256 . O parsed_2kbx 1 25 1 1 . . . . . . . . . 256 . N parsed_2kbx 1 25 1 2 . . . . . . . . . 253 . O parsed_2kbx 1 26 1 1 . . . . . . . . . 256 . HN parsed_2kbx 1 26 1 2 . . . . . . . . . 253 . O parsed_2kbx 1 27 1 1 . . . . . . . . . 264 . HN parsed_2kbx 1 27 1 2 . . . . . . . . . 260 . O parsed_2kbx 1 28 1 1 . . . . . . . . . 264 . N parsed_2kbx 1 28 1 2 . . . . . . . . . 260 . O parsed_2kbx 1 29 1 1 . . . . . . . . . 264 . HN parsed_2kbx 1 29 1 2 . . . . . . . . . 261 . O parsed_2kbx 1 30 1 1 . . . . . . . . . 264 . N parsed_2kbx 1 30 1 2 . . . . . . . . . 261 . O parsed_2kbx 1 31 1 1 . . . . . . . . . 265 . HN parsed_2kbx 1 31 1 2 . . . . . . . . . 262 . O parsed_2kbx 1 32 1 1 . . . . . . . . . 265 . N parsed_2kbx 1 32 1 2 . . . . . . . . . 262 . O parsed_2kbx 1 33 1 1 . . . . . . . . . 265 . HN parsed_2kbx 1 33 1 2 . . . . . . . . . 261 . O parsed_2kbx 1 34 1 1 . . . . . . . . . 265 . N parsed_2kbx 1 34 1 2 . . . . . . . . . 261 . O parsed_2kbx 1 35 1 1 . . . . . . . . . 266 . HN parsed_2kbx 1 35 1 2 . . . . . . . . . 262 . O parsed_2kbx 1 36 1 1 . . . . . . . . . 266 . N parsed_2kbx 1 36 1 2 . . . . . . . . . 262 . O parsed_2kbx 1 37 1 1 . . . . . . . . . 266 . HN parsed_2kbx 1 37 1 2 . . . . . . . . . 263 . O parsed_2kbx 1 38 1 1 . . . . . . . . . 266 . N parsed_2kbx 1 38 1 2 . . . . . . . . . 263 . O parsed_2kbx 1 39 1 1 . . . . . . . . . 267 . HN parsed_2kbx 1 39 1 2 . . . . . . . . . 264 . O parsed_2kbx 1 40 1 1 . . . . . . . . . 267 . N parsed_2kbx 1 40 1 2 . . . . . . . . . 264 . O parsed_2kbx 1 41 1 1 . . . . . . . . . 267 . HN parsed_2kbx 1 41 1 2 . . . . . . . . . 263 . O parsed_2kbx 1 42 1 1 . . . . . . . . . 267 . N parsed_2kbx 1 42 1 2 . . . . . . . . . 263 . O parsed_2kbx 1 43 1 1 . . . . . . . . . 268 . HN parsed_2kbx 1 43 1 2 . . . . . . . . . 264 . O parsed_2kbx 1 44 1 1 . . . . . . . . . 268 . N parsed_2kbx 1 44 1 2 . . . . . . . . . 264 . O parsed_2kbx 1 45 1 1 . . . . . . . . . 268 . HN parsed_2kbx 1 45 1 2 . . . . . . . . . 265 . O parsed_2kbx 1 46 1 1 . . . . . . . . . 268 . N parsed_2kbx 1 46 1 2 . . . . . . . . . 265 . O parsed_2kbx 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 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 2 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 3 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 4 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 5 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 6 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 7 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 8 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 9 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 10 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 11 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 12 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 13 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 14 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 15 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 16 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 17 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 18 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 19 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 20 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 21 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 22 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 23 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 24 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 25 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 26 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 27 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 28 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 29 1 . . . . . 1.8 1.5 2.6 parsed_2kbx 1 30 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 31 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 32 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 33 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 34 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 35 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 36 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 37 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 38 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 39 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 40 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 41 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 42 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 43 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 44 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 1 45 1 . . . . . 1.8 1.5 2.3 parsed_2kbx 1 46 1 . . . . . 2.8 2.4 3.3 parsed_2kbx 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 ; H-bond restraints, added manualy. Sheet1 assign (resid 208 and name N) (resid 217 and name O) 2.8 0.4 0.5 assign (resid 208 and name HN) (resid 217 and name O) 1.8 0.3 0.5 ; 1 1 5 67 parsed_2kbx 1 2 Sheet2 16 1 16 9 parsed_2kbx 1 3 ; assign (resid 233 and name N) (resid 222 and name O) 2.8 0.4 0.5 assign (resid 233 and name HN) (resid 222 and name O) 1.8 0.3 0.5 Sheet3 ; 27 1 30 9 parsed_2kbx 1 4 ; ##assign (resid 236 and name N) (resid 245 and name O) 2.8 0.4 0.5 ##assign (resid 236 and name HN) (resid 245 and name O) 1.8 0.3 0.5 Sheet4 ; 41 1 44 9 parsed_2kbx 1 5 Helix 58 1 58 8 parsed_2kbx 1 6 ; assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 110 and (hydro or name n* or name o*)) 5.0 3.8 1.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 131 and (hydro or name n* or name o*)) 5.0 3.8 1.0 ##assign ## ((hydro or name n* or name o*) ## and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 ## or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) ## (resid 132 and (hydro or name n* or name o*)) ## 6.0 3.8 2.0 ##assign ## ((hydro or name n* or name o*) ## and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 ## or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) ## (resid 134 and (hydro or name n* or name o*)) ## 6.0 3.8 2.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 138 and (hydro or name n* or name o*)) 5.0 3.8 1.0 ##assign ## ((hydro or name n* or name o*) ## and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 ## or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) ## (resid 139 and (hydro or name n* or name o*)) ## 5.0 3.8 1.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 141 and (hydro or name n* or name o*)) 5.0 3.8 1.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 142 and (hydro or name n* or name o*)) 6.0 3.8 2.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 144 and (hydro or name n* or name o*)) 5.0 3.8 1.0 assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 146 and (hydro or name n* or name o*)) 5.0 3.8 1.0 ; 302 1 374 17 parsed_2kbx 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 ; assign ((hydro or name n* or name o*) and (resid 4 or resid 31:33 or resid 40 or resid 43 or resid 65:68 or resid 73 or resid 76:77 or resid 98:99 or resid 101 or resid 106 or resid 109:110 or resid 131:132 or resid 134 or resid 138:139 or resid 141:142 or resid 144 or resid 146 )) (resid 242 and (hydro or name n* or name o*)) 6.0 3.8 2.0 ; 130 1 136 15 parsed_2kbx 1 2 ; assign ((hydro or name n* or name o*) and (resid 4 or resid 31:33 or resid 40 or resid 43 or resid 65:68 or resid 73 or resid 76:77 or resid 98:99 or resid 101 or resid 106 or resid 109:110 or resid 131:132 or resid 134 or resid 138:139 or resid 141:142 or resid 144 or resid 146 )) (resid 256 and (hydro or name n* or name o*)) 5.0 3.8 1.0 ; 162 1 168 15 parsed_2kbx 1 3 ; assign ((hydro or name n* or name o*) and (resid 4 or resid 31:33 or resid 40 or resid 43 or resid 65:68 or resid 73 or resid 76:77 or resid 98:99 or resid 101 or resid 106 or resid 109:110 or resid 131:132 or resid 134 or resid 138:139 or resid 141:142 or resid 144 or resid 146 )) (resid 265 and (hydro or name n* or name o*)) 6.0 3.8 2.0 ; 194 1 200 15 parsed_2kbx 1 4 ; assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 43 and (hydro or name n* or name o*)) 5.0 3.8 1.0 ; 241 1 246 15 parsed_2kbx 1 5 ; assign ((hydro or name n* or name o*) and (resid 212 or resid 214 or resid 215 or resid 237 or resid 239:240 or resid 242 or resid 243 or resid 244 or resid 255:257 or resid 261 or resid 263 or resid 265 or resid 266 )) (resid 109 and (hydro or name n* or name o*)) 6.0 3.8 2.0 ; 294 1 299 15 parsed_2kbx 1 stop_ save_
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