data_2235 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2235 _Entry.Title ; Evidence for a Tetrahedral Intermediate Complex during Serpin-Proteinase Interactions ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nancy Matheson . R. . 2235 2 Herman 'van Halbeek' . . . 2235 3 James Travis . . . 2235 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2235 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1 2235 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2235 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2235 1 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2235 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2235 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Matheson, Nancy R., van Halbeek, Herman, Travis, James, "Evidence for a Tetrahedral Intermediate Complex during Serpin-Proteinase Interactions," J. Biol. Chem. 266 (21), 13489-13491 (1991). ; _Citation.Title ; Evidence for a Tetrahedral Intermediate Complex during Serpin-Proteinase Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 266 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13489 _Citation.Page_last 13491 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nancy Matheson . R. . 2235 1 2 Herman 'van Halbeek' . . . 2235 1 3 James Travis . . . 2235 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_serpin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_serpin _Assembly.Entry_ID 2235 _Assembly.ID 1 _Assembly.Name serpin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 serpin 1 $serpin . . . . . . . . . 2235 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID serpin system 2235 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_serpin _Entity.Sf_category entity _Entity.Sf_framecode serpin _Entity.Entry_ID 2235 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name serpin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 358 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID serpin common 2235 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . X . 2235 1 2 . X . 2235 1 3 . X . 2235 1 4 . X . 2235 1 5 . X . 2235 1 6 . X . 2235 1 7 . X . 2235 1 8 . X . 2235 1 9 . X . 2235 1 10 . X . 2235 1 11 . X . 2235 1 12 . X . 2235 1 13 . X . 2235 1 14 . X . 2235 1 15 . X . 2235 1 16 . X . 2235 1 17 . X . 2235 1 18 . X . 2235 1 19 . X . 2235 1 20 . X . 2235 1 21 . X . 2235 1 22 . X . 2235 1 23 . X . 2235 1 24 . X . 2235 1 25 . X . 2235 1 26 . X . 2235 1 27 . X . 2235 1 28 . X . 2235 1 29 . X . 2235 1 30 . X . 2235 1 31 . X . 2235 1 32 . X . 2235 1 33 . X . 2235 1 34 . X . 2235 1 35 . X . 2235 1 36 . X . 2235 1 37 . X . 2235 1 38 . X . 2235 1 39 . X . 2235 1 40 . X . 2235 1 41 . X . 2235 1 42 . X . 2235 1 43 . X . 2235 1 44 . X . 2235 1 45 . X . 2235 1 46 . X . 2235 1 47 . X . 2235 1 48 . X . 2235 1 49 . X . 2235 1 50 . X . 2235 1 51 . X . 2235 1 52 . X . 2235 1 53 . X . 2235 1 54 . X . 2235 1 55 . X . 2235 1 56 . X . 2235 1 57 . X . 2235 1 58 . X . 2235 1 59 . X . 2235 1 60 . X . 2235 1 61 . X . 2235 1 62 . X . 2235 1 63 . X . 2235 1 64 . X . 2235 1 65 . X . 2235 1 66 . X . 2235 1 67 . X . 2235 1 68 . X . 2235 1 69 . X . 2235 1 70 . X . 2235 1 71 . X . 2235 1 72 . X . 2235 1 73 . X . 2235 1 74 . X . 2235 1 75 . X . 2235 1 76 . X . 2235 1 77 . X . 2235 1 78 . X . 2235 1 79 . X . 2235 1 80 . X . 2235 1 81 . X . 2235 1 82 . X . 2235 1 83 . X . 2235 1 84 . X . 2235 1 85 . X . 2235 1 86 . X . 2235 1 87 . X . 2235 1 88 . X . 2235 1 89 . X . 2235 1 90 . X . 2235 1 91 . X . 2235 1 92 . X . 2235 1 93 . X . 2235 1 94 . X . 2235 1 95 . X . 2235 1 96 . X . 2235 1 97 . X . 2235 1 98 . X . 2235 1 99 . X . 2235 1 100 . X . 2235 1 101 . X . 2235 1 102 . X . 2235 1 103 . X . 2235 1 104 . X . 2235 1 105 . X . 2235 1 106 . X . 2235 1 107 . X . 2235 1 108 . X . 2235 1 109 . X . 2235 1 110 . X . 2235 1 111 . X . 2235 1 112 . X . 2235 1 113 . X . 2235 1 114 . X . 2235 1 115 . X . 2235 1 116 . X . 2235 1 117 . X . 2235 1 118 . X . 2235 1 119 . X . 2235 1 120 . X . 2235 1 121 . X . 2235 1 122 . X . 2235 1 123 . X . 2235 1 124 . X . 2235 1 125 . X . 2235 1 126 . X . 2235 1 127 . X . 2235 1 128 . X . 2235 1 129 . X . 2235 1 130 . X . 2235 1 131 . X . 2235 1 132 . X . 2235 1 133 . X . 2235 1 134 . X . 2235 1 135 . X . 2235 1 136 . X . 2235 1 137 . X . 2235 1 138 . X . 2235 1 139 . X . 2235 1 140 . X . 2235 1 141 . X . 2235 1 142 . X . 2235 1 143 . X . 2235 1 144 . X . 2235 1 145 . X . 2235 1 146 . X . 2235 1 147 . X . 2235 1 148 . X . 2235 1 149 . X . 2235 1 150 . X . 2235 1 151 . X . 2235 1 152 . X . 2235 1 153 . X . 2235 1 154 . X . 2235 1 155 . X . 2235 1 156 . X . 2235 1 157 . X . 2235 1 158 . X . 2235 1 159 . X . 2235 1 160 . X . 2235 1 161 . X . 2235 1 162 . X . 2235 1 163 . X . 2235 1 164 . X . 2235 1 165 . X . 2235 1 166 . X . 2235 1 167 . X . 2235 1 168 . X . 2235 1 169 . X . 2235 1 170 . X . 2235 1 171 . X . 2235 1 172 . X . 2235 1 173 . X . 2235 1 174 . X . 2235 1 175 . X . 2235 1 176 . X . 2235 1 177 . X . 2235 1 178 . X . 2235 1 179 . X . 2235 1 180 . X . 2235 1 181 . X . 2235 1 182 . X . 2235 1 183 . X . 2235 1 184 . X . 2235 1 185 . X . 2235 1 186 . X . 2235 1 187 . X . 2235 1 188 . X . 2235 1 189 . X . 2235 1 190 . X . 2235 1 191 . X . 2235 1 192 . X . 2235 1 193 . X . 2235 1 194 . X . 2235 1 195 . X . 2235 1 196 . X . 2235 1 197 . X . 2235 1 198 . X . 2235 1 199 . X . 2235 1 200 . X . 2235 1 201 . X . 2235 1 202 . X . 2235 1 203 . X . 2235 1 204 . X . 2235 1 205 . X . 2235 1 206 . X . 2235 1 207 . X . 2235 1 208 . X . 2235 1 209 . X . 2235 1 210 . X . 2235 1 211 . X . 2235 1 212 . X . 2235 1 213 . X . 2235 1 214 . X . 2235 1 215 . X . 2235 1 216 . X . 2235 1 217 . X . 2235 1 218 . X . 2235 1 219 . X . 2235 1 220 . X . 2235 1 221 . X . 2235 1 222 . X . 2235 1 223 . X . 2235 1 224 . X . 2235 1 225 . X . 2235 1 226 . X . 2235 1 227 . X . 2235 1 228 . X . 2235 1 229 . X . 2235 1 230 . X . 2235 1 231 . X . 2235 1 232 . X . 2235 1 233 . X . 2235 1 234 . X . 2235 1 235 . X . 2235 1 236 . X . 2235 1 237 . X . 2235 1 238 . X . 2235 1 239 . X . 2235 1 240 . X . 2235 1 241 . X . 2235 1 242 . X . 2235 1 243 . X . 2235 1 244 . X . 2235 1 245 . X . 2235 1 246 . X . 2235 1 247 . X . 2235 1 248 . X . 2235 1 249 . X . 2235 1 250 . X . 2235 1 251 . X . 2235 1 252 . X . 2235 1 253 . X . 2235 1 254 . X . 2235 1 255 . X . 2235 1 256 . X . 2235 1 257 . X . 2235 1 258 . X . 2235 1 259 . X . 2235 1 260 . X . 2235 1 261 . X . 2235 1 262 . X . 2235 1 263 . X . 2235 1 264 . X . 2235 1 265 . X . 2235 1 266 . X . 2235 1 267 . X . 2235 1 268 . X . 2235 1 269 . X . 2235 1 270 . X . 2235 1 271 . X . 2235 1 272 . X . 2235 1 273 . X . 2235 1 274 . X . 2235 1 275 . X . 2235 1 276 . X . 2235 1 277 . X . 2235 1 278 . X . 2235 1 279 . X . 2235 1 280 . X . 2235 1 281 . X . 2235 1 282 . X . 2235 1 283 . X . 2235 1 284 . X . 2235 1 285 . X . 2235 1 286 . X . 2235 1 287 . X . 2235 1 288 . X . 2235 1 289 . X . 2235 1 290 . X . 2235 1 291 . X . 2235 1 292 . X . 2235 1 293 . X . 2235 1 294 . X . 2235 1 295 . X . 2235 1 296 . X . 2235 1 297 . X . 2235 1 298 . X . 2235 1 299 . X . 2235 1 300 . X . 2235 1 301 . X . 2235 1 302 . X . 2235 1 303 . X . 2235 1 304 . X . 2235 1 305 . X . 2235 1 306 . X . 2235 1 307 . X . 2235 1 308 . X . 2235 1 309 . X . 2235 1 310 . X . 2235 1 311 . X . 2235 1 312 . X . 2235 1 313 . X . 2235 1 314 . X . 2235 1 315 . X . 2235 1 316 . X . 2235 1 317 . X . 2235 1 318 . X . 2235 1 319 . X . 2235 1 320 . X . 2235 1 321 . X . 2235 1 322 . X . 2235 1 323 . X . 2235 1 324 . X . 2235 1 325 . X . 2235 1 326 . X . 2235 1 327 . X . 2235 1 328 . X . 2235 1 329 . X . 2235 1 330 . X . 2235 1 331 . X . 2235 1 332 . X . 2235 1 333 . X . 2235 1 334 . X . 2235 1 335 . X . 2235 1 336 . X . 2235 1 337 . X . 2235 1 338 . X . 2235 1 339 . X . 2235 1 340 . X . 2235 1 341 . X . 2235 1 342 . X . 2235 1 343 . X . 2235 1 344 . X . 2235 1 345 . X . 2235 1 346 . X . 2235 1 347 . X . 2235 1 348 . X . 2235 1 349 . X . 2235 1 350 . X . 2235 1 351 . X . 2235 1 352 . X . 2235 1 353 . X . 2235 1 354 . X . 2235 1 355 . X . 2235 1 356 . X . 2235 1 357 . X . 2235 1 358 . MET . 2235 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . X 1 1 2235 1 . X 2 2 2235 1 . X 3 3 2235 1 . X 4 4 2235 1 . X 5 5 2235 1 . X 6 6 2235 1 . X 7 7 2235 1 . X 8 8 2235 1 . X 9 9 2235 1 . X 10 10 2235 1 . X 11 11 2235 1 . X 12 12 2235 1 . X 13 13 2235 1 . X 14 14 2235 1 . X 15 15 2235 1 . X 16 16 2235 1 . X 17 17 2235 1 . X 18 18 2235 1 . X 19 19 2235 1 . X 20 20 2235 1 . X 21 21 2235 1 . X 22 22 2235 1 . X 23 23 2235 1 . X 24 24 2235 1 . X 25 25 2235 1 . X 26 26 2235 1 . X 27 27 2235 1 . X 28 28 2235 1 . X 29 29 2235 1 . X 30 30 2235 1 . X 31 31 2235 1 . X 32 32 2235 1 . X 33 33 2235 1 . X 34 34 2235 1 . X 35 35 2235 1 . X 36 36 2235 1 . X 37 37 2235 1 . X 38 38 2235 1 . X 39 39 2235 1 . X 40 40 2235 1 . X 41 41 2235 1 . X 42 42 2235 1 . X 43 43 2235 1 . X 44 44 2235 1 . X 45 45 2235 1 . X 46 46 2235 1 . X 47 47 2235 1 . X 48 48 2235 1 . X 49 49 2235 1 . X 50 50 2235 1 . X 51 51 2235 1 . X 52 52 2235 1 . X 53 53 2235 1 . X 54 54 2235 1 . X 55 55 2235 1 . X 56 56 2235 1 . X 57 57 2235 1 . X 58 58 2235 1 . X 59 59 2235 1 . X 60 60 2235 1 . X 61 61 2235 1 . X 62 62 2235 1 . X 63 63 2235 1 . X 64 64 2235 1 . X 65 65 2235 1 . X 66 66 2235 1 . X 67 67 2235 1 . X 68 68 2235 1 . X 69 69 2235 1 . X 70 70 2235 1 . X 71 71 2235 1 . X 72 72 2235 1 . X 73 73 2235 1 . X 74 74 2235 1 . X 75 75 2235 1 . X 76 76 2235 1 . X 77 77 2235 1 . X 78 78 2235 1 . X 79 79 2235 1 . X 80 80 2235 1 . X 81 81 2235 1 . X 82 82 2235 1 . X 83 83 2235 1 . X 84 84 2235 1 . X 85 85 2235 1 . X 86 86 2235 1 . X 87 87 2235 1 . X 88 88 2235 1 . X 89 89 2235 1 . X 90 90 2235 1 . X 91 91 2235 1 . X 92 92 2235 1 . X 93 93 2235 1 . X 94 94 2235 1 . X 95 95 2235 1 . X 96 96 2235 1 . X 97 97 2235 1 . X 98 98 2235 1 . X 99 99 2235 1 . X 100 100 2235 1 . X 101 101 2235 1 . X 102 102 2235 1 . X 103 103 2235 1 . X 104 104 2235 1 . X 105 105 2235 1 . X 106 106 2235 1 . X 107 107 2235 1 . X 108 108 2235 1 . X 109 109 2235 1 . X 110 110 2235 1 . X 111 111 2235 1 . X 112 112 2235 1 . X 113 113 2235 1 . X 114 114 2235 1 . X 115 115 2235 1 . X 116 116 2235 1 . X 117 117 2235 1 . X 118 118 2235 1 . X 119 119 2235 1 . X 120 120 2235 1 . X 121 121 2235 1 . X 122 122 2235 1 . X 123 123 2235 1 . X 124 124 2235 1 . X 125 125 2235 1 . X 126 126 2235 1 . X 127 127 2235 1 . X 128 128 2235 1 . X 129 129 2235 1 . X 130 130 2235 1 . X 131 131 2235 1 . X 132 132 2235 1 . X 133 133 2235 1 . X 134 134 2235 1 . X 135 135 2235 1 . X 136 136 2235 1 . X 137 137 2235 1 . X 138 138 2235 1 . X 139 139 2235 1 . X 140 140 2235 1 . X 141 141 2235 1 . X 142 142 2235 1 . X 143 143 2235 1 . X 144 144 2235 1 . X 145 145 2235 1 . X 146 146 2235 1 . X 147 147 2235 1 . X 148 148 2235 1 . X 149 149 2235 1 . X 150 150 2235 1 . X 151 151 2235 1 . X 152 152 2235 1 . X 153 153 2235 1 . X 154 154 2235 1 . X 155 155 2235 1 . X 156 156 2235 1 . X 157 157 2235 1 . X 158 158 2235 1 . X 159 159 2235 1 . X 160 160 2235 1 . X 161 161 2235 1 . X 162 162 2235 1 . X 163 163 2235 1 . X 164 164 2235 1 . X 165 165 2235 1 . X 166 166 2235 1 . X 167 167 2235 1 . X 168 168 2235 1 . X 169 169 2235 1 . X 170 170 2235 1 . X 171 171 2235 1 . X 172 172 2235 1 . X 173 173 2235 1 . X 174 174 2235 1 . X 175 175 2235 1 . X 176 176 2235 1 . X 177 177 2235 1 . X 178 178 2235 1 . X 179 179 2235 1 . X 180 180 2235 1 . X 181 181 2235 1 . X 182 182 2235 1 . X 183 183 2235 1 . X 184 184 2235 1 . X 185 185 2235 1 . X 186 186 2235 1 . X 187 187 2235 1 . X 188 188 2235 1 . X 189 189 2235 1 . X 190 190 2235 1 . X 191 191 2235 1 . X 192 192 2235 1 . X 193 193 2235 1 . X 194 194 2235 1 . X 195 195 2235 1 . X 196 196 2235 1 . X 197 197 2235 1 . X 198 198 2235 1 . X 199 199 2235 1 . X 200 200 2235 1 . X 201 201 2235 1 . X 202 202 2235 1 . X 203 203 2235 1 . X 204 204 2235 1 . X 205 205 2235 1 . X 206 206 2235 1 . X 207 207 2235 1 . X 208 208 2235 1 . X 209 209 2235 1 . X 210 210 2235 1 . X 211 211 2235 1 . X 212 212 2235 1 . X 213 213 2235 1 . X 214 214 2235 1 . X 215 215 2235 1 . X 216 216 2235 1 . X 217 217 2235 1 . X 218 218 2235 1 . X 219 219 2235 1 . X 220 220 2235 1 . X 221 221 2235 1 . X 222 222 2235 1 . X 223 223 2235 1 . X 224 224 2235 1 . X 225 225 2235 1 . X 226 226 2235 1 . X 227 227 2235 1 . X 228 228 2235 1 . X 229 229 2235 1 . X 230 230 2235 1 . X 231 231 2235 1 . X 232 232 2235 1 . X 233 233 2235 1 . X 234 234 2235 1 . X 235 235 2235 1 . X 236 236 2235 1 . X 237 237 2235 1 . X 238 238 2235 1 . X 239 239 2235 1 . X 240 240 2235 1 . X 241 241 2235 1 . X 242 242 2235 1 . X 243 243 2235 1 . X 244 244 2235 1 . X 245 245 2235 1 . X 246 246 2235 1 . X 247 247 2235 1 . X 248 248 2235 1 . X 249 249 2235 1 . X 250 250 2235 1 . X 251 251 2235 1 . X 252 252 2235 1 . X 253 253 2235 1 . X 254 254 2235 1 . X 255 255 2235 1 . X 256 256 2235 1 . X 257 257 2235 1 . X 258 258 2235 1 . X 259 259 2235 1 . X 260 260 2235 1 . X 261 261 2235 1 . X 262 262 2235 1 . X 263 263 2235 1 . X 264 264 2235 1 . X 265 265 2235 1 . X 266 266 2235 1 . X 267 267 2235 1 . X 268 268 2235 1 . X 269 269 2235 1 . X 270 270 2235 1 . X 271 271 2235 1 . X 272 272 2235 1 . X 273 273 2235 1 . X 274 274 2235 1 . X 275 275 2235 1 . X 276 276 2235 1 . X 277 277 2235 1 . X 278 278 2235 1 . X 279 279 2235 1 . X 280 280 2235 1 . X 281 281 2235 1 . X 282 282 2235 1 . X 283 283 2235 1 . X 284 284 2235 1 . X 285 285 2235 1 . X 286 286 2235 1 . X 287 287 2235 1 . X 288 288 2235 1 . X 289 289 2235 1 . X 290 290 2235 1 . X 291 291 2235 1 . X 292 292 2235 1 . X 293 293 2235 1 . X 294 294 2235 1 . X 295 295 2235 1 . X 296 296 2235 1 . X 297 297 2235 1 . X 298 298 2235 1 . X 299 299 2235 1 . X 300 300 2235 1 . X 301 301 2235 1 . X 302 302 2235 1 . X 303 303 2235 1 . X 304 304 2235 1 . X 305 305 2235 1 . X 306 306 2235 1 . X 307 307 2235 1 . X 308 308 2235 1 . X 309 309 2235 1 . X 310 310 2235 1 . X 311 311 2235 1 . X 312 312 2235 1 . X 313 313 2235 1 . X 314 314 2235 1 . X 315 315 2235 1 . X 316 316 2235 1 . X 317 317 2235 1 . X 318 318 2235 1 . X 319 319 2235 1 . X 320 320 2235 1 . X 321 321 2235 1 . X 322 322 2235 1 . X 323 323 2235 1 . X 324 324 2235 1 . X 325 325 2235 1 . X 326 326 2235 1 . X 327 327 2235 1 . X 328 328 2235 1 . X 329 329 2235 1 . X 330 330 2235 1 . X 331 331 2235 1 . X 332 332 2235 1 . X 333 333 2235 1 . X 334 334 2235 1 . X 335 335 2235 1 . X 336 336 2235 1 . X 337 337 2235 1 . X 338 338 2235 1 . X 339 339 2235 1 . X 340 340 2235 1 . X 341 341 2235 1 . X 342 342 2235 1 . X 343 343 2235 1 . X 344 344 2235 1 . X 345 345 2235 1 . X 346 346 2235 1 . X 347 347 2235 1 . X 348 348 2235 1 . X 349 349 2235 1 . X 350 350 2235 1 . X 351 351 2235 1 . X 352 352 2235 1 . X 353 353 2235 1 . X 354 354 2235 1 . X 355 355 2235 1 . X 356 356 2235 1 . X 357 357 2235 1 . MET 358 358 2235 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 2235 _Entity_natural_src_list.ID 1 save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 2235 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $serpin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2235 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2235 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2235 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . na 2235 1 temperature 277 . K 2235 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2235 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2235 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2235 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 2235 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2235 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C . 'suberic acid bis(N-hydroxy-succinimide ester)' CH3 . . . . ppm 0 . . . . . . . . . . . . 2235 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2235 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2235 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 358 358 MET C C 13 134 . . 1 . . . . . . . . 2235 1 stop_ save_