data_51059 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51059 _Entry.Title ; NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-17 _Entry.Accession_date 2021-08-17 _Entry.Last_release_date 2021-08-18 _Entry.Original_release_date 2021-08-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Saeko Yanaka . . . 0000-0002-3513-5701 51059 2 Hirokazu Yagi . . . 0000-0001-9296-0225 51059 3 Rina Yogo . . . 0000-0002-1595-0194 51059 4 Masayoshi Onitsuka . . . 0000-0003-4220-1401 51059 5 Koichi Kato . . . 0000-0001-7187-9612 51059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 180 51059 '1H chemical shifts' 180 51059 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 2 . . 2022-03-11 2021-08-17 update BMRB 'update entry citation' 51059 1 . . 2022-03-11 2021-08-17 original author 'original release' 51059 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51059 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34978013 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Glutamine-free mammalian expression of recombinant glycoproteins with uniform isotope labeling: an application for NMR analysis of pharmaceutically relevant Fc glycoforms of human immunoglobulin G1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 76 _Citation.Journal_issue 1-2 _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 17 _Citation.Page_last 22 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Saeko Yanaka . . . . 51059 1 2 Hirokazu Yagi . . . . 51059 1 3 Rina Yogo . . . . 51059 1 4 Masayoshi Onitsuka . . . . 51059 1 5 Koichi Kato . . . . 51059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51059 _Assembly.ID 1 _Assembly.Name 'Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _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 'entity_1, chain 1' 1 $entity_1 . . yes native no no . . . 51059 1 2 'entity_1, chain 2' 1 $entity_1 . . yes native no no . . . 51059 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 2 . 1 CYS 2 2 SG . . . . . . . . . . . . 51059 1 2 disulfide single . 1 . 1 CYS 5 5 SG . 2 . 1 CYS 5 5 SG . . . . . . . . . . . . 51059 1 3 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 51059 1 4 disulfide single . 1 . 1 CYS 143 143 SG . 1 . 1 CYS 143 143 SG . . . . . . . . . . . . 51059 1 5 disulfide single . 2 . 1 CYS 37 37 SG . 2 . 1 CYS 37 37 SG . . . . . . . . . . . . 51059 1 6 disulfide single . 2 . 1 CYS 143 143 SG . 2 . 1 CYS 143 143 SG . . . . . . . . . . . . 51059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; TCPPCPAPELLGGPSVFLFP PKPKDTLMISRTPEVTCVVV DVSHEDPEVKFNWYVDGVEV HNAKTKPREEQYNSTYRVVS VLTVLHQDWLNGKEYKCKVS NKALPAPIEKTISKAKGQPR EPQVYTLPPSRDELTKNQVS LTCLVKGFYPSDIAVEWESN GQPENNYKTTPPVLDSDGSF FLYSKLTVDKSRWQQGNVFS CSVMHEALHNHYTQKSLSLS PG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 222 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 1 225 THR . 51059 1 2 226 CYS . 51059 1 3 227 PRO . 51059 1 4 228 PRO . 51059 1 5 229 CYS . 51059 1 6 230 PRO . 51059 1 7 231 ALA . 51059 1 8 232 PRO . 51059 1 9 233 GLU . 51059 1 10 234 LEU . 51059 1 11 235 LEU . 51059 1 12 236 GLY . 51059 1 13 237 GLY . 51059 1 14 238 PRO . 51059 1 15 239 SER . 51059 1 16 240 VAL . 51059 1 17 241 PHE . 51059 1 18 242 LEU . 51059 1 19 243 PHE . 51059 1 20 244 PRO . 51059 1 21 245 PRO . 51059 1 22 246 LYS . 51059 1 23 247 PRO . 51059 1 24 248 LYS . 51059 1 25 249 ASP . 51059 1 26 250 THR . 51059 1 27 251 LEU . 51059 1 28 252 MET . 51059 1 29 253 ILE . 51059 1 30 254 SER . 51059 1 31 255 ARG . 51059 1 32 256 THR . 51059 1 33 257 PRO . 51059 1 34 258 GLU . 51059 1 35 259 VAL . 51059 1 36 260 THR . 51059 1 37 261 CYS . 51059 1 38 262 VAL . 51059 1 39 263 VAL . 51059 1 40 264 VAL . 51059 1 41 265 ASP . 51059 1 42 266 VAL . 51059 1 43 267 SER . 51059 1 44 268 HIS . 51059 1 45 269 GLU . 51059 1 46 270 ASP . 51059 1 47 271 PRO . 51059 1 48 272 GLU . 51059 1 49 273 VAL . 51059 1 50 274 LYS . 51059 1 51 275 PHE . 51059 1 52 276 ASN . 51059 1 53 277 TRP . 51059 1 54 278 TYR . 51059 1 55 279 VAL . 51059 1 56 280 ASP . 51059 1 57 281 GLY . 51059 1 58 282 VAL . 51059 1 59 283 GLU . 51059 1 60 284 VAL . 51059 1 61 285 HIS . 51059 1 62 286 ASN . 51059 1 63 287 ALA . 51059 1 64 288 LYS . 51059 1 65 289 THR . 51059 1 66 290 LYS . 51059 1 67 291 PRO . 51059 1 68 292 ARG . 51059 1 69 293 GLU . 51059 1 70 294 GLU . 51059 1 71 295 GLN . 51059 1 72 296 TYR . 51059 1 73 297 ASN . 51059 1 74 298 SER . 51059 1 75 299 THR . 51059 1 76 300 TYR . 51059 1 77 301 ARG . 51059 1 78 302 VAL . 51059 1 79 303 VAL . 51059 1 80 304 SER . 51059 1 81 305 VAL . 51059 1 82 306 LEU . 51059 1 83 307 THR . 51059 1 84 308 VAL . 51059 1 85 309 LEU . 51059 1 86 310 HIS . 51059 1 87 311 GLN . 51059 1 88 312 ASP . 51059 1 89 313 TRP . 51059 1 90 314 LEU . 51059 1 91 315 ASN . 51059 1 92 316 GLY . 51059 1 93 317 LYS . 51059 1 94 318 GLU . 51059 1 95 319 TYR . 51059 1 96 320 LYS . 51059 1 97 321 CYS . 51059 1 98 322 LYS . 51059 1 99 323 VAL . 51059 1 100 324 SER . 51059 1 101 325 ASN . 51059 1 102 326 LYS . 51059 1 103 327 ALA . 51059 1 104 328 LEU . 51059 1 105 329 PRO . 51059 1 106 330 ALA . 51059 1 107 331 PRO . 51059 1 108 332 ILE . 51059 1 109 333 GLU . 51059 1 110 334 LYS . 51059 1 111 335 THR . 51059 1 112 336 ILE . 51059 1 113 337 SER . 51059 1 114 338 LYS . 51059 1 115 339 ALA . 51059 1 116 340 LYS . 51059 1 117 341 GLY . 51059 1 118 342 GLN . 51059 1 119 343 PRO . 51059 1 120 344 ARG . 51059 1 121 345 GLU . 51059 1 122 346 PRO . 51059 1 123 347 GLN . 51059 1 124 348 VAL . 51059 1 125 349 TYR . 51059 1 126 350 THR . 51059 1 127 351 LEU . 51059 1 128 352 PRO . 51059 1 129 353 PRO . 51059 1 130 354 SER . 51059 1 131 355 ARG . 51059 1 132 356 ASP . 51059 1 133 357 GLU . 51059 1 134 358 LEU . 51059 1 135 359 THR . 51059 1 136 360 LYS . 51059 1 137 361 ASN . 51059 1 138 362 GLN . 51059 1 139 363 VAL . 51059 1 140 364 SER . 51059 1 141 365 LEU . 51059 1 142 366 THR . 51059 1 143 367 CYS . 51059 1 144 368 LEU . 51059 1 145 369 VAL . 51059 1 146 370 LYS . 51059 1 147 371 GLY . 51059 1 148 372 PHE . 51059 1 149 373 TYR . 51059 1 150 374 PRO . 51059 1 151 375 SER . 51059 1 152 376 ASP . 51059 1 153 377 ILE . 51059 1 154 378 ALA . 51059 1 155 379 VAL . 51059 1 156 380 GLU . 51059 1 157 381 TRP . 51059 1 158 382 GLU . 51059 1 159 383 SER . 51059 1 160 384 ASN . 51059 1 161 385 GLY . 51059 1 162 386 GLN . 51059 1 163 387 PRO . 51059 1 164 388 GLU . 51059 1 165 389 ASN . 51059 1 166 390 ASN . 51059 1 167 391 TYR . 51059 1 168 392 LYS . 51059 1 169 393 THR . 51059 1 170 394 THR . 51059 1 171 395 PRO . 51059 1 172 396 PRO . 51059 1 173 397 VAL . 51059 1 174 398 LEU . 51059 1 175 399 ASP . 51059 1 176 400 SER . 51059 1 177 401 ASP . 51059 1 178 402 GLY . 51059 1 179 403 SER . 51059 1 180 404 PHE . 51059 1 181 405 PHE . 51059 1 182 406 LEU . 51059 1 183 407 TYR . 51059 1 184 408 SER . 51059 1 185 409 LYS . 51059 1 186 410 LEU . 51059 1 187 411 THR . 51059 1 188 412 VAL . 51059 1 189 413 ASP . 51059 1 190 414 LYS . 51059 1 191 415 SER . 51059 1 192 416 ARG . 51059 1 193 417 TRP . 51059 1 194 418 GLN . 51059 1 195 419 GLN . 51059 1 196 420 GLY . 51059 1 197 421 ASN . 51059 1 198 422 VAL . 51059 1 199 423 PHE . 51059 1 200 424 SER . 51059 1 201 425 CYS . 51059 1 202 426 SER . 51059 1 203 427 VAL . 51059 1 204 428 MET . 51059 1 205 429 HIS . 51059 1 206 430 GLU . 51059 1 207 431 ALA . 51059 1 208 432 LEU . 51059 1 209 433 HIS . 51059 1 210 434 ASN . 51059 1 211 435 HIS . 51059 1 212 436 TYR . 51059 1 213 437 THR . 51059 1 214 438 GLN . 51059 1 215 439 LYS . 51059 1 216 440 SER . 51059 1 217 441 LEU . 51059 1 218 442 SER . 51059 1 219 443 LEU . 51059 1 220 444 SER . 51059 1 221 445 PRO . 51059 1 222 446 GLY . 51059 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 . THR 1 1 51059 1 . CYS 2 2 51059 1 . PRO 3 3 51059 1 . PRO 4 4 51059 1 . CYS 5 5 51059 1 . PRO 6 6 51059 1 . ALA 7 7 51059 1 . PRO 8 8 51059 1 . GLU 9 9 51059 1 . LEU 10 10 51059 1 . LEU 11 11 51059 1 . GLY 12 12 51059 1 . GLY 13 13 51059 1 . PRO 14 14 51059 1 . SER 15 15 51059 1 . VAL 16 16 51059 1 . PHE 17 17 51059 1 . LEU 18 18 51059 1 . PHE 19 19 51059 1 . PRO 20 20 51059 1 . PRO 21 21 51059 1 . LYS 22 22 51059 1 . PRO 23 23 51059 1 . LYS 24 24 51059 1 . ASP 25 25 51059 1 . THR 26 26 51059 1 . LEU 27 27 51059 1 . MET 28 28 51059 1 . ILE 29 29 51059 1 . SER 30 30 51059 1 . ARG 31 31 51059 1 . THR 32 32 51059 1 . PRO 33 33 51059 1 . GLU 34 34 51059 1 . VAL 35 35 51059 1 . THR 36 36 51059 1 . CYS 37 37 51059 1 . VAL 38 38 51059 1 . VAL 39 39 51059 1 . VAL 40 40 51059 1 . ASP 41 41 51059 1 . VAL 42 42 51059 1 . SER 43 43 51059 1 . HIS 44 44 51059 1 . GLU 45 45 51059 1 . ASP 46 46 51059 1 . PRO 47 47 51059 1 . GLU 48 48 51059 1 . VAL 49 49 51059 1 . LYS 50 50 51059 1 . PHE 51 51 51059 1 . ASN 52 52 51059 1 . TRP 53 53 51059 1 . TYR 54 54 51059 1 . VAL 55 55 51059 1 . ASP 56 56 51059 1 . GLY 57 57 51059 1 . VAL 58 58 51059 1 . GLU 59 59 51059 1 . VAL 60 60 51059 1 . HIS 61 61 51059 1 . ASN 62 62 51059 1 . ALA 63 63 51059 1 . LYS 64 64 51059 1 . THR 65 65 51059 1 . LYS 66 66 51059 1 . PRO 67 67 51059 1 . ARG 68 68 51059 1 . GLU 69 69 51059 1 . GLU 70 70 51059 1 . GLN 71 71 51059 1 . TYR 72 72 51059 1 . ASN 73 73 51059 1 . SER 74 74 51059 1 . THR 75 75 51059 1 . TYR 76 76 51059 1 . ARG 77 77 51059 1 . VAL 78 78 51059 1 . VAL 79 79 51059 1 . SER 80 80 51059 1 . VAL 81 81 51059 1 . LEU 82 82 51059 1 . THR 83 83 51059 1 . VAL 84 84 51059 1 . LEU 85 85 51059 1 . HIS 86 86 51059 1 . GLN 87 87 51059 1 . ASP 88 88 51059 1 . TRP 89 89 51059 1 . LEU 90 90 51059 1 . ASN 91 91 51059 1 . GLY 92 92 51059 1 . LYS 93 93 51059 1 . GLU 94 94 51059 1 . TYR 95 95 51059 1 . LYS 96 96 51059 1 . CYS 97 97 51059 1 . LYS 98 98 51059 1 . VAL 99 99 51059 1 . SER 100 100 51059 1 . ASN 101 101 51059 1 . LYS 102 102 51059 1 . ALA 103 103 51059 1 . LEU 104 104 51059 1 . PRO 105 105 51059 1 . ALA 106 106 51059 1 . PRO 107 107 51059 1 . ILE 108 108 51059 1 . GLU 109 109 51059 1 . LYS 110 110 51059 1 . THR 111 111 51059 1 . ILE 112 112 51059 1 . SER 113 113 51059 1 . LYS 114 114 51059 1 . ALA 115 115 51059 1 . LYS 116 116 51059 1 . GLY 117 117 51059 1 . GLN 118 118 51059 1 . PRO 119 119 51059 1 . ARG 120 120 51059 1 . GLU 121 121 51059 1 . PRO 122 122 51059 1 . GLN 123 123 51059 1 . VAL 124 124 51059 1 . TYR 125 125 51059 1 . THR 126 126 51059 1 . LEU 127 127 51059 1 . PRO 128 128 51059 1 . PRO 129 129 51059 1 . SER 130 130 51059 1 . ARG 131 131 51059 1 . ASP 132 132 51059 1 . GLU 133 133 51059 1 . LEU 134 134 51059 1 . THR 135 135 51059 1 . LYS 136 136 51059 1 . ASN 137 137 51059 1 . GLN 138 138 51059 1 . VAL 139 139 51059 1 . SER 140 140 51059 1 . LEU 141 141 51059 1 . THR 142 142 51059 1 . CYS 143 143 51059 1 . LEU 144 144 51059 1 . VAL 145 145 51059 1 . LYS 146 146 51059 1 . GLY 147 147 51059 1 . PHE 148 148 51059 1 . TYR 149 149 51059 1 . PRO 150 150 51059 1 . SER 151 151 51059 1 . ASP 152 152 51059 1 . ILE 153 153 51059 1 . ALA 154 154 51059 1 . VAL 155 155 51059 1 . GLU 156 156 51059 1 . TRP 157 157 51059 1 . GLU 158 158 51059 1 . SER 159 159 51059 1 . ASN 160 160 51059 1 . GLY 161 161 51059 1 . GLN 162 162 51059 1 . PRO 163 163 51059 1 . GLU 164 164 51059 1 . ASN 165 165 51059 1 . ASN 166 166 51059 1 . TYR 167 167 51059 1 . LYS 168 168 51059 1 . THR 169 169 51059 1 . THR 170 170 51059 1 . PRO 171 171 51059 1 . PRO 172 172 51059 1 . VAL 173 173 51059 1 . LEU 174 174 51059 1 . ASP 175 175 51059 1 . SER 176 176 51059 1 . ASP 177 177 51059 1 . GLY 178 178 51059 1 . SER 179 179 51059 1 . PHE 180 180 51059 1 . PHE 181 181 51059 1 . LEU 182 182 51059 1 . TYR 183 183 51059 1 . SER 184 184 51059 1 . LYS 185 185 51059 1 . LEU 186 186 51059 1 . THR 187 187 51059 1 . VAL 188 188 51059 1 . ASP 189 189 51059 1 . LYS 190 190 51059 1 . SER 191 191 51059 1 . ARG 192 192 51059 1 . TRP 193 193 51059 1 . GLN 194 194 51059 1 . GLN 195 195 51059 1 . GLY 196 196 51059 1 . ASN 197 197 51059 1 . VAL 198 198 51059 1 . PHE 199 199 51059 1 . SER 200 200 51059 1 . CYS 201 201 51059 1 . SER 202 202 51059 1 . VAL 203 203 51059 1 . MET 204 204 51059 1 . HIS 205 205 51059 1 . GLU 206 206 51059 1 . ALA 207 207 51059 1 . LEU 208 208 51059 1 . HIS 209 209 51059 1 . ASN 210 210 51059 1 . HIS 211 211 51059 1 . TYR 212 212 51059 1 . THR 213 213 51059 1 . GLN 214 214 51059 1 . LYS 215 215 51059 1 . SER 216 216 51059 1 . LEU 217 217 51059 1 . SER 218 218 51059 1 . LEU 219 219 51059 1 . SER 220 220 51059 1 . PRO 221 221 51059 1 . GLY 222 222 51059 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51059 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51059 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51059 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Chinese hamster ovary cells' . . . . . . . . plasmid . . 'Mammalian PowerExpress system vector' . . . 51059 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51059 _Sample.ID 1 _Sample.Name 'Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform' '[U-100% 15N]' . . 1 $entity_1 . . 10 . . mg/mL . . . . 51059 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51059 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51059 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR measurement condition' _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 'ionic strength' 50 . mM 51059 1 pH 6.0 . pH 51059 1 pressure 1 . atm 51059 1 temperature 315 . K 51059 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51059 _Software.ID 1 _Software.Type . _Software.Name 'TOPSPIN, NMRview' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51059 1 collection . 51059 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE 800 US' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51059 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51059 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0468 external direct 1 . . . . . 51059 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51059 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 51059 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51059 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 CYS H H 1 8.2022 0.05 . 1 . . . . . 226 CYS H . 51059 1 2 . 1 . 1 2 2 CYS N N 15 118.95 0.05 . 1 . . . . . 226 CYS N . 51059 1 3 . 1 . 1 7 7 ALA H H 1 8.2925 0.05 . 1 . . . . . 231 ALA H . 51059 1 4 . 1 . 1 7 7 ALA N N 15 125.77 0.05 . 1 . . . . . 231 ALA N . 51059 1 5 . 1 . 1 9 9 GLU H H 1 8.5854 0.05 . 1 . . . . . 233 GLU H . 51059 1 6 . 1 . 1 9 9 GLU N N 15 120.36 0.05 . 1 . . . . . 233 GLU N . 51059 1 7 . 1 . 1 11 11 LEU H H 1 8.1311 0.05 . 1 . . . . . 235 LEU H . 51059 1 8 . 1 . 1 11 11 LEU N N 15 123.30 0.05 . 1 . . . . . 235 LEU N . 51059 1 9 . 1 . 1 12 12 GLY H H 1 8.3890 0.05 . 1 . . . . . 236 GLY H . 51059 1 10 . 1 . 1 12 12 GLY N N 15 109.54 0.05 . 1 . . . . . 236 GLY N . 51059 1 11 . 1 . 1 13 13 GLY H H 1 8.0072 0.05 . 1 . . . . . 237 GLY H . 51059 1 12 . 1 . 1 13 13 GLY N N 15 108.48 0.05 . 1 . . . . . 237 GLY N . 51059 1 13 . 1 . 1 15 15 SER H H 1 8.1038 0.05 . 1 . . . . . 239 SER H . 51059 1 14 . 1 . 1 15 15 SER N N 15 113.69 0.05 . 1 . . . . . 239 SER N . 51059 1 15 . 1 . 1 16 16 VAL H H 1 7.9699 0.05 . 1 . . . . . 240 VAL H . 51059 1 16 . 1 . 1 16 16 VAL N N 15 121.55 0.05 . 1 . . . . . 240 VAL N . 51059 1 17 . 1 . 1 17 17 PHE H H 1 9.4575 0.05 . 1 . . . . . 241 PHE H . 51059 1 18 . 1 . 1 17 17 PHE N N 15 124.52 0.05 . 1 . . . . . 241 PHE N . 51059 1 19 . 1 . 1 18 18 LEU H H 1 8.2693 0.05 . 1 . . . . . 242 LEU H . 51059 1 20 . 1 . 1 18 18 LEU N N 15 124.95 0.05 . 1 . . . . . 242 LEU N . 51059 1 21 . 1 . 1 19 19 PHE H H 1 9.3530 0.05 . 1 . . . . . 243 PHE H . 51059 1 22 . 1 . 1 19 19 PHE N N 15 123.91 0.05 . 1 . . . . . 243 PHE N . 51059 1 23 . 1 . 1 22 22 LYS H H 1 8.6625 0.05 . 1 . . . . . 246 LYS H . 51059 1 24 . 1 . 1 22 22 LYS N N 15 122.31 0.05 . 1 . . . . . 246 LYS N . 51059 1 25 . 1 . 1 24 24 LYS H H 1 8.8677 0.05 . 1 . . . . . 248 LYS H . 51059 1 26 . 1 . 1 24 24 LYS N N 15 115.63 0.05 . 1 . . . . . 248 LYS N . 51059 1 27 . 1 . 1 26 26 THR H H 1 7.1085 0.05 . 1 . . . . . 250 THR H . 51059 1 28 . 1 . 1 26 26 THR N N 15 104.62 0.05 . 1 . . . . . 250 THR N . 51059 1 29 . 1 . 1 27 27 LEU H H 1 7.1525 0.05 . 1 . . . . . 251 LEU H . 51059 1 30 . 1 . 1 27 27 LEU N N 15 117.49 0.05 . 1 . . . . . 251 LEU N . 51059 1 31 . 1 . 1 28 28 MET H H 1 7.2914 0.05 . 1 . . . . . 252 MET H . 51059 1 32 . 1 . 1 28 28 MET N N 15 119.10 0.05 . 1 . . . . . 252 MET N . 51059 1 33 . 1 . 1 29 29 ILE H H 1 8.2816 0.05 . 1 . . . . . 253 ILE H . 51059 1 34 . 1 . 1 29 29 ILE N N 15 123.01 0.05 . 1 . . . . . 253 ILE N . 51059 1 35 . 1 . 1 31 31 ARG H H 1 7.8310 0.05 . 1 . . . . . 255 ARG H . 51059 1 36 . 1 . 1 31 31 ARG N N 15 122.94 0.05 . 1 . . . . . 255 ARG N . 51059 1 37 . 1 . 1 32 32 THR H H 1 8.4608 0.05 . 1 . . . . . 256 THR H . 51059 1 38 . 1 . 1 32 32 THR N N 15 115.54 0.05 . 1 . . . . . 256 THR N . 51059 1 39 . 1 . 1 34 34 GLU H H 1 7.7699 0.05 . 1 . . . . . 258 GLU H . 51059 1 40 . 1 . 1 34 34 GLU N N 15 117.73 0.05 . 1 . . . . . 258 GLU N . 51059 1 41 . 1 . 1 35 35 VAL H H 1 8.6192 0.05 . 1 . . . . . 259 VAL H . 51059 1 42 . 1 . 1 35 35 VAL N N 15 120.46 0.05 . 1 . . . . . 259 VAL N . 51059 1 43 . 1 . 1 36 36 THR H H 1 7.9978 0.05 . 1 . . . . . 260 THR H . 51059 1 44 . 1 . 1 36 36 THR N N 15 119.59 0.05 . 1 . . . . . 260 THR N . 51059 1 45 . 1 . 1 37 37 CYS H H 1 10.108 0.05 . 1 . . . . . 261 CYS H . 51059 1 46 . 1 . 1 37 37 CYS N N 15 131.12 0.05 . 1 . . . . . 261 CYS N . 51059 1 47 . 1 . 1 38 38 VAL H H 1 9.6594 0.05 . 1 . . . . . 262 VAL H . 51059 1 48 . 1 . 1 38 38 VAL N N 15 127.30 0.05 . 1 . . . . . 262 VAL N . 51059 1 49 . 1 . 1 39 39 VAL H H 1 9.4524 0.05 . 1 . . . . . 263 VAL H . 51059 1 50 . 1 . 1 39 39 VAL N N 15 127.49 0.05 . 1 . . . . . 263 VAL N . 51059 1 51 . 1 . 1 40 40 VAL H H 1 8.9888 0.05 . 1 . . . . . 264 VAL H . 51059 1 52 . 1 . 1 40 40 VAL N N 15 119.31 0.05 . 1 . . . . . 264 VAL N . 51059 1 53 . 1 . 1 42 42 VAL H H 1 7.8812 0.05 . 1 . . . . . 266 VAL H . 51059 1 54 . 1 . 1 42 42 VAL N N 15 117.99 0.05 . 1 . . . . . 266 VAL N . 51059 1 55 . 1 . 1 43 43 SER H H 1 8.5791 0.05 . 1 . . . . . 267 SER H . 51059 1 56 . 1 . 1 43 43 SER N N 15 123.76 0.05 . 1 . . . . . 267 SER N . 51059 1 57 . 1 . 1 44 44 HIS H H 1 8.8718 0.05 . 1 . . . . . 268 HIS H . 51059 1 58 . 1 . 1 44 44 HIS N N 15 118.13 0.05 . 1 . . . . . 268 HIS N . 51059 1 59 . 1 . 1 45 45 GLU H H 1 8.2975 0.05 . 1 . . . . . 269 GLU H . 51059 1 60 . 1 . 1 45 45 GLU N N 15 116.98 0.05 . 1 . . . . . 269 GLU N . 51059 1 61 . 1 . 1 46 46 ASP H H 1 7.3019 0.05 . 1 . . . . . 270 ASP H . 51059 1 62 . 1 . 1 46 46 ASP N N 15 116.55 0.05 . 1 . . . . . 270 ASP N . 51059 1 63 . 1 . 1 48 48 GLU H H 1 7.7345 0.05 . 1 . . . . . 272 GLU H . 51059 1 64 . 1 . 1 48 48 GLU N N 15 119.24 0.05 . 1 . . . . . 272 GLU N . 51059 1 65 . 1 . 1 50 50 LYS H H 1 8.2881 0.05 . 1 . . . . . 274 LYS H . 51059 1 66 . 1 . 1 50 50 LYS N N 15 126.49 0.05 . 1 . . . . . 274 LYS N . 51059 1 67 . 1 . 1 52 52 ASN H H 1 9.3009 0.05 . 1 . . . . . 276 ASN H . 51059 1 68 . 1 . 1 52 52 ASN N N 15 120.60 0.05 . 1 . . . . . 276 ASN N . 51059 1 69 . 1 . 1 53 53 TRP H H 1 8.8780 0.05 . 1 . . . . . 277 TRP H . 51059 1 70 . 1 . 1 53 53 TRP N N 15 122.96 0.05 . 1 . . . . . 277 TRP N . 51059 1 71 . 1 . 1 54 54 TYR H H 1 9.2164 0.05 . 1 . . . . . 278 TYR H . 51059 1 72 . 1 . 1 54 54 TYR N N 15 116.61 0.05 . 1 . . . . . 278 TYR N . 51059 1 73 . 1 . 1 55 55 VAL H H 1 8.9745 0.05 . 1 . . . . . 279 VAL H . 51059 1 74 . 1 . 1 55 55 VAL N N 15 121.88 0.05 . 1 . . . . . 279 VAL N . 51059 1 75 . 1 . 1 56 56 ASP H H 1 9.9539 0.05 . 1 . . . . . 280 ASP H . 51059 1 76 . 1 . 1 56 56 ASP N N 15 131.61 0.05 . 1 . . . . . 280 ASP N . 51059 1 77 . 1 . 1 57 57 GLY H H 1 9.0805 0.05 . 1 . . . . . 281 GLY H . 51059 1 78 . 1 . 1 57 57 GLY N N 15 102.23 0.05 . 1 . . . . . 281 GLY N . 51059 1 79 . 1 . 1 58 58 VAL H H 1 7.9967 0.05 . 1 . . . . . 282 VAL H . 51059 1 80 . 1 . 1 58 58 VAL N N 15 124.02 0.05 . 1 . . . . . 282 VAL N . 51059 1 81 . 1 . 1 59 59 GLU H H 1 8.9308 0.05 . 1 . . . . . 283 GLU H . 51059 1 82 . 1 . 1 59 59 GLU N N 15 129.74 0.05 . 1 . . . . . 283 GLU N . 51059 1 83 . 1 . 1 60 60 VAL H H 1 8.2201 0.05 . 1 . . . . . 284 VAL H . 51059 1 84 . 1 . 1 60 60 VAL N N 15 118.89 0.05 . 1 . . . . . 284 VAL N . 51059 1 85 . 1 . 1 62 62 ASN H H 1 8.1513 0.05 . 1 . . . . . 286 ASN H . 51059 1 86 . 1 . 1 62 62 ASN N N 15 115.83 0.05 . 1 . . . . . 286 ASN N . 51059 1 87 . 1 . 1 63 63 ALA H H 1 8.1524 0.05 . 1 . . . . . 287 ALA H . 51059 1 88 . 1 . 1 63 63 ALA N N 15 123.91 0.05 . 1 . . . . . 287 ALA N . 51059 1 89 . 1 . 1 64 64 LYS H H 1 8.5564 0.05 . 1 . . . . . 288 LYS H . 51059 1 90 . 1 . 1 64 64 LYS N N 15 120.73 0.05 . 1 . . . . . 288 LYS N . 51059 1 91 . 1 . 1 65 65 THR H H 1 8.6722 0.05 . 1 . . . . . 289 THR H . 51059 1 92 . 1 . 1 65 65 THR N N 15 122.67 0.05 . 1 . . . . . 289 THR N . 51059 1 93 . 1 . 1 66 66 LYS H H 1 8.9091 0.05 . 1 . . . . . 290 LYS H . 51059 1 94 . 1 . 1 66 66 LYS N N 15 129.49 0.05 . 1 . . . . . 290 LYS N . 51059 1 95 . 1 . 1 68 68 ARG H H 1 8.5146 0.05 . 1 . . . . . 292 ARG H . 51059 1 96 . 1 . 1 68 68 ARG N N 15 122.55 0.05 . 1 . . . . . 292 ARG N . 51059 1 97 . 1 . 1 69 69 GLU H H 1 8.8273 0.05 . 1 . . . . . 293 GLU H . 51059 1 98 . 1 . 1 69 69 GLU N N 15 121.55 0.05 . 1 . . . . . 293 GLU N . 51059 1 99 . 1 . 1 70 70 GLU H H 1 9.2814 0.05 . 1 . . . . . 294 GLU H . 51059 1 100 . 1 . 1 70 70 GLU N N 15 127.01 0.05 . 1 . . . . . 294 GLU N . 51059 1 101 . 1 . 1 71 71 GLN H H 1 8.4377 0.05 . 1 . . . . . 295 GLN H . 51059 1 102 . 1 . 1 71 71 GLN N N 15 123.61 0.05 . 1 . . . . . 295 GLN N . 51059 1 103 . 1 . 1 72 72 TYR H H 1 8.9679 0.05 . 1 . . . . . 296 TYR H . 51059 1 104 . 1 . 1 72 72 TYR N N 15 120.50 0.05 . 1 . . . . . 296 TYR N . 51059 1 105 . 1 . 1 73 73 ASN H H 1 7.1881 0.05 . 1 . . . . . 297 ASN H . 51059 1 106 . 1 . 1 73 73 ASN N N 15 115.00 0.05 . 1 . . . . . 297 ASN N . 51059 1 107 . 1 . 1 74 74 SER H H 1 7.9551 0.05 . 1 . . . . . 298 SER H . 51059 1 108 . 1 . 1 74 74 SER N N 15 109.03 0.05 . 1 . . . . . 298 SER N . 51059 1 109 . 1 . 1 75 75 THR H H 1 6.8992 0.05 . 1 . . . . . 299 THR H . 51059 1 110 . 1 . 1 75 75 THR N N 15 105.48 0.05 . 1 . . . . . 299 THR N . 51059 1 111 . 1 . 1 76 76 TYR H H 1 9.3727 0.05 . 1 . . . . . 300 TYR H . 51059 1 112 . 1 . 1 76 76 TYR N N 15 116.15 0.05 . 1 . . . . . 300 TYR N . 51059 1 113 . 1 . 1 77 77 ARG H H 1 8.7484 0.05 . 1 . . . . . 301 ARG H . 51059 1 114 . 1 . 1 77 77 ARG N N 15 122.73 0.05 . 1 . . . . . 301 ARG N . 51059 1 115 . 1 . 1 78 78 VAL H H 1 9.4020 0.05 . 1 . . . . . 302 VAL H . 51059 1 116 . 1 . 1 78 78 VAL N N 15 127.05 0.05 . 1 . . . . . 302 VAL N . 51059 1 117 . 1 . 1 79 79 VAL H H 1 8.3535 0.05 . 1 . . . . . 303 VAL H . 51059 1 118 . 1 . 1 79 79 VAL N N 15 127.22 0.05 . 1 . . . . . 303 VAL N . 51059 1 119 . 1 . 1 80 80 SER H H 1 9.0408 0.05 . 1 . . . . . 304 SER H . 51059 1 120 . 1 . 1 80 80 SER N N 15 120.73 0.05 . 1 . . . . . 304 SER N . 51059 1 121 . 1 . 1 81 81 VAL H H 1 8.7279 0.05 . 1 . . . . . 305 VAL H . 51059 1 122 . 1 . 1 81 81 VAL N N 15 126.41 0.05 . 1 . . . . . 305 VAL N . 51059 1 123 . 1 . 1 82 82 LEU H H 1 8.5534 0.05 . 1 . . . . . 306 LEU H . 51059 1 124 . 1 . 1 82 82 LEU N N 15 130.19 0.05 . 1 . . . . . 306 LEU N . 51059 1 125 . 1 . 1 83 83 THR H H 1 7.9962 0.05 . 1 . . . . . 307 THR H . 51059 1 126 . 1 . 1 83 83 THR N N 15 122.73 0.05 . 1 . . . . . 307 THR N . 51059 1 127 . 1 . 1 84 84 VAL H H 1 7.9107 0.05 . 1 . . . . . 308 VAL H . 51059 1 128 . 1 . 1 84 84 VAL N N 15 120.47 0.05 . 1 . . . . . 308 VAL N . 51059 1 129 . 1 . 1 85 85 LEU H H 1 8.4281 0.05 . 1 . . . . . 309 LEU H . 51059 1 130 . 1 . 1 85 85 LEU N N 15 122.31 0.05 . 1 . . . . . 309 LEU N . 51059 1 131 . 1 . 1 87 87 GLN H H 1 9.1742 0.05 . 1 . . . . . 311 GLN H . 51059 1 132 . 1 . 1 87 87 GLN N N 15 113.25 0.05 . 1 . . . . . 311 GLN N . 51059 1 133 . 1 . 1 88 88 ASP H H 1 7.0320 0.05 . 1 . . . . . 312 ASP H . 51059 1 134 . 1 . 1 88 88 ASP N N 15 119.83 0.05 . 1 . . . . . 312 ASP N . 51059 1 135 . 1 . 1 89 89 TRP H H 1 7.7369 0.05 . 1 . . . . . 313 TRP H . 51059 1 136 . 1 . 1 89 89 TRP N N 15 118.95 0.05 . 1 . . . . . 313 TRP N . 51059 1 137 . 1 . 1 90 90 LEU H H 1 8.3182 0.05 . 1 . . . . . 314 LEU H . 51059 1 138 . 1 . 1 90 90 LEU N N 15 115.93 0.05 . 1 . . . . . 314 LEU N . 51059 1 139 . 1 . 1 91 91 ASN H H 1 8.1017 0.05 . 1 . . . . . 315 ASN H . 51059 1 140 . 1 . 1 91 91 ASN N N 15 115.76 0.05 . 1 . . . . . 315 ASN N . 51059 1 141 . 1 . 1 92 92 GLY H H 1 7.7594 0.05 . 1 . . . . . 316 GLY H . 51059 1 142 . 1 . 1 92 92 GLY N N 15 107.19 0.05 . 1 . . . . . 316 GLY N . 51059 1 143 . 1 . 1 93 93 LYS H H 1 7.4541 0.05 . 1 . . . . . 317 LYS H . 51059 1 144 . 1 . 1 93 93 LYS N N 15 118.55 0.05 . 1 . . . . . 317 LYS N . 51059 1 145 . 1 . 1 94 94 GLU H H 1 8.5419 0.05 . 1 . . . . . 318 GLU H . 51059 1 146 . 1 . 1 94 94 GLU N N 15 119.43 0.05 . 1 . . . . . 318 GLU N . 51059 1 147 . 1 . 1 95 95 TYR H H 1 9.1434 0.05 . 1 . . . . . 319 TYR H . 51059 1 148 . 1 . 1 95 95 TYR N N 15 127.12 0.05 . 1 . . . . . 319 TYR N . 51059 1 149 . 1 . 1 96 96 LYS H H 1 9.4521 0.05 . 1 . . . . . 320 LYS H . 51059 1 150 . 1 . 1 96 96 LYS N N 15 123.82 0.05 . 1 . . . . . 320 LYS N . 51059 1 151 . 1 . 1 97 97 CYS H H 1 8.7180 0.05 . 1 . . . . . 321 CYS H . 51059 1 152 . 1 . 1 97 97 CYS N N 15 125.52 0.05 . 1 . . . . . 321 CYS N . 51059 1 153 . 1 . 1 98 98 LYS H H 1 9.1134 0.05 . 1 . . . . . 322 LYS H . 51059 1 154 . 1 . 1 98 98 LYS N N 15 128.61 0.05 . 1 . . . . . 322 LYS N . 51059 1 155 . 1 . 1 99 99 VAL H H 1 9.2271 0.05 . 1 . . . . . 323 VAL H . 51059 1 156 . 1 . 1 99 99 VAL N N 15 128.61 0.05 . 1 . . . . . 323 VAL N . 51059 1 157 . 1 . 1 100 100 SER H H 1 8.3980 0.05 . 1 . . . . . 324 SER H . 51059 1 158 . 1 . 1 100 100 SER N N 15 118.66 0.05 . 1 . . . . . 324 SER N . 51059 1 159 . 1 . 1 101 101 ASN H H 1 8.1796 0.05 . 1 . . . . . 325 ASN H . 51059 1 160 . 1 . 1 101 101 ASN N N 15 121.09 0.05 . 1 . . . . . 325 ASN N . 51059 1 161 . 1 . 1 103 103 ALA H H 1 7.8380 0.05 . 1 . . . . . 327 ALA H . 51059 1 162 . 1 . 1 103 103 ALA N N 15 118.91 0.05 . 1 . . . . . 327 ALA N . 51059 1 163 . 1 . 1 104 104 LEU H H 1 7.6888 0.05 . 1 . . . . . 328 LEU H . 51059 1 164 . 1 . 1 104 104 LEU N N 15 118.58 0.05 . 1 . . . . . 328 LEU N . 51059 1 165 . 1 . 1 106 106 ALA H H 1 7.3155 0.05 . 1 . . . . . 330 ALA H . 51059 1 166 . 1 . 1 106 106 ALA N N 15 118.43 0.05 . 1 . . . . . 330 ALA N . 51059 1 167 . 1 . 1 108 108 ILE H H 1 8.3526 0.05 . 1 . . . . . 332 ILE H . 51059 1 168 . 1 . 1 108 108 ILE N N 15 121.68 0.05 . 1 . . . . . 332 ILE N . 51059 1 169 . 1 . 1 110 110 LYS H H 1 8.7108 0.05 . 1 . . . . . 334 LYS H . 51059 1 170 . 1 . 1 110 110 LYS N N 15 121.95 0.05 . 1 . . . . . 334 LYS N . 51059 1 171 . 1 . 1 111 111 THR H H 1 8.2842 0.05 . 1 . . . . . 335 THR H . 51059 1 172 . 1 . 1 111 111 THR N N 15 113.12 0.05 . 1 . . . . . 335 THR N . 51059 1 173 . 1 . 1 112 112 ILE H H 1 9.4039 0.05 . 1 . . . . . 336 ILE H . 51059 1 174 . 1 . 1 112 112 ILE N N 15 121.60 0.05 . 1 . . . . . 336 ILE N . 51059 1 175 . 1 . 1 113 113 SER H H 1 7.7184 0.05 . 1 . . . . . 337 SER H . 51059 1 176 . 1 . 1 113 113 SER N N 15 115.04 0.05 . 1 . . . . . 337 SER N . 51059 1 177 . 1 . 1 114 114 LYS H H 1 8.7310 0.05 . 1 . . . . . 338 LYS H . 51059 1 178 . 1 . 1 114 114 LYS N N 15 124.80 0.05 . 1 . . . . . 338 LYS N . 51059 1 179 . 1 . 1 115 115 ALA H H 1 8.6661 0.05 . 1 . . . . . 339 ALA H . 51059 1 180 . 1 . 1 115 115 ALA N N 15 129.05 0.05 . 1 . . . . . 339 ALA N . 51059 1 181 . 1 . 1 116 116 LYS H H 1 8.4040 0.05 . 1 . . . . . 340 LYS H . 51059 1 182 . 1 . 1 116 116 LYS N N 15 120.92 0.05 . 1 . . . . . 340 LYS N . 51059 1 183 . 1 . 1 117 117 GLY H H 1 8.5144 0.05 . 1 . . . . . 341 GLY H . 51059 1 184 . 1 . 1 117 117 GLY N N 15 111.25 0.05 . 1 . . . . . 341 GLY N . 51059 1 185 . 1 . 1 118 118 GLN H H 1 8.1773 0.05 . 1 . . . . . 342 GLN H . 51059 1 186 . 1 . 1 118 118 GLN N N 15 122.40 0.05 . 1 . . . . . 342 GLN N . 51059 1 187 . 1 . 1 120 120 ARG H H 1 9.4602 0.05 . 1 . . . . . 344 ARG H . 51059 1 188 . 1 . 1 120 120 ARG N N 15 122.43 0.05 . 1 . . . . . 344 ARG N . 51059 1 189 . 1 . 1 121 121 GLU H H 1 8.6641 0.05 . 1 . . . . . 345 GLU H . 51059 1 190 . 1 . 1 121 121 GLU N N 15 124.11 0.05 . 1 . . . . . 345 GLU N . 51059 1 191 . 1 . 1 123 123 GLN H H 1 7.9036 0.05 . 1 . . . . . 347 GLN H . 51059 1 192 . 1 . 1 123 123 GLN N N 15 122.37 0.05 . 1 . . . . . 347 GLN N . 51059 1 193 . 1 . 1 124 124 VAL H H 1 7.8426 0.05 . 1 . . . . . 348 VAL H . 51059 1 194 . 1 . 1 124 124 VAL N N 15 122.38 0.05 . 1 . . . . . 348 VAL N . 51059 1 195 . 1 . 1 125 125 TYR H H 1 9.3851 0.05 . 1 . . . . . 349 TYR H . 51059 1 196 . 1 . 1 125 125 TYR N N 15 124.94 0.05 . 1 . . . . . 349 TYR N . 51059 1 197 . 1 . 1 126 126 THR H H 1 8.6807 0.05 . 1 . . . . . 350 THR H . 51059 1 198 . 1 . 1 126 126 THR N N 15 112.29 0.05 . 1 . . . . . 350 THR N . 51059 1 199 . 1 . 1 127 127 LEU H H 1 9.4889 0.05 . 1 . . . . . 351 LEU H . 51059 1 200 . 1 . 1 127 127 LEU N N 15 124.42 0.05 . 1 . . . . . 351 LEU N . 51059 1 201 . 1 . 1 130 130 SER H H 1 8.9427 0.05 . 1 . . . . . 354 SER H . 51059 1 202 . 1 . 1 130 130 SER N N 15 117.63 0.05 . 1 . . . . . 354 SER N . 51059 1 203 . 1 . 1 131 131 ARG H H 1 9.0551 0.05 . 1 . . . . . 355 ARG H . 51059 1 204 . 1 . 1 131 131 ARG N N 15 128.27 0.05 . 1 . . . . . 355 ARG N . 51059 1 205 . 1 . 1 132 132 ASP H H 1 8.3911 0.05 . 1 . . . . . 356 ASP H . 51059 1 206 . 1 . 1 132 132 ASP N N 15 117.67 0.05 . 1 . . . . . 356 ASP N . 51059 1 207 . 1 . 1 134 134 LEU H H 1 7.2403 0.05 . 1 . . . . . 358 LEU H . 51059 1 208 . 1 . 1 134 134 LEU N N 15 114.39 0.05 . 1 . . . . . 358 LEU N . 51059 1 209 . 1 . 1 135 135 THR H H 1 7.0499 0.05 . 1 . . . . . 359 THR H . 51059 1 210 . 1 . 1 135 135 THR N N 15 106.89 0.05 . 1 . . . . . 359 THR N . 51059 1 211 . 1 . 1 136 136 LYS H H 1 7.9351 0.05 . 1 . . . . . 360 LYS H . 51059 1 212 . 1 . 1 136 136 LYS N N 15 122.39 0.05 . 1 . . . . . 360 LYS N . 51059 1 213 . 1 . 1 138 138 GLN H H 1 7.4773 0.05 . 1 . . . . . 362 GLN H . 51059 1 214 . 1 . 1 138 138 GLN N N 15 118.22 0.05 . 1 . . . . . 362 GLN N . 51059 1 215 . 1 . 1 139 139 VAL H H 1 8.7045 0.05 . 1 . . . . . 363 VAL H . 51059 1 216 . 1 . 1 139 139 VAL N N 15 111.01 0.05 . 1 . . . . . 363 VAL N . 51059 1 217 . 1 . 1 140 140 SER H H 1 8.8902 0.05 . 1 . . . . . 364 SER H . 51059 1 218 . 1 . 1 140 140 SER N N 15 114.95 0.05 . 1 . . . . . 364 SER N . 51059 1 219 . 1 . 1 141 141 LEU H H 1 9.3273 0.05 . 1 . . . . . 365 LEU H . 51059 1 220 . 1 . 1 141 141 LEU N N 15 128.83 0.05 . 1 . . . . . 365 LEU N . 51059 1 221 . 1 . 1 142 142 THR H H 1 7.9727 0.05 . 1 . . . . . 366 THR H . 51059 1 222 . 1 . 1 142 142 THR N N 15 117.91 0.05 . 1 . . . . . 366 THR N . 51059 1 223 . 1 . 1 143 143 CYS H H 1 9.7992 0.05 . 1 . . . . . 367 CYS H . 51059 1 224 . 1 . 1 143 143 CYS N N 15 128.85 0.05 . 1 . . . . . 367 CYS N . 51059 1 225 . 1 . 1 144 144 LEU H H 1 9.4776 0.05 . 1 . . . . . 368 LEU H . 51059 1 226 . 1 . 1 144 144 LEU N N 15 131.42 0.05 . 1 . . . . . 368 LEU N . 51059 1 227 . 1 . 1 145 145 VAL H H 1 8.3149 0.05 . 1 . . . . . 369 VAL H . 51059 1 228 . 1 . 1 145 145 VAL N N 15 127.20 0.05 . 1 . . . . . 369 VAL N . 51059 1 229 . 1 . 1 146 146 LYS H H 1 9.3460 0.05 . 1 . . . . . 370 LYS H . 51059 1 230 . 1 . 1 146 146 LYS N N 15 122.64 0.05 . 1 . . . . . 370 LYS N . 51059 1 231 . 1 . 1 147 147 GLY H H 1 8.3455 0.05 . 1 . . . . . 371 GLY H . 51059 1 232 . 1 . 1 147 147 GLY N N 15 111.11 0.05 . 1 . . . . . 371 GLY N . 51059 1 233 . 1 . 1 148 148 PHE H H 1 7.8099 0.05 . 1 . . . . . 372 PHE H . 51059 1 234 . 1 . 1 148 148 PHE N N 15 111.43 0.05 . 1 . . . . . 372 PHE N . 51059 1 235 . 1 . 1 149 149 TYR H H 1 8.3622 0.05 . 1 . . . . . 373 TYR H . 51059 1 236 . 1 . 1 149 149 TYR N N 15 119.93 0.05 . 1 . . . . . 373 TYR N . 51059 1 237 . 1 . 1 151 151 SER H H 1 8.3152 0.05 . 1 . . . . . 375 SER H . 51059 1 238 . 1 . 1 151 151 SER N N 15 112.04 0.05 . 1 . . . . . 375 SER N . 51059 1 239 . 1 . 1 152 152 ASP H H 1 6.7951 0.05 . 1 . . . . . 376 ASP H . 51059 1 240 . 1 . 1 152 152 ASP N N 15 120.66 0.05 . 1 . . . . . 376 ASP N . 51059 1 241 . 1 . 1 153 153 ILE H H 1 7.9967 0.05 . 1 . . . . . 377 ILE H . 51059 1 242 . 1 . 1 153 153 ILE N N 15 124.02 0.05 . 1 . . . . . 377 ILE N . 51059 1 243 . 1 . 1 154 154 ALA H H 1 8.1804 0.05 . 1 . . . . . 378 ALA H . 51059 1 244 . 1 . 1 154 154 ALA N N 15 126.46 0.05 . 1 . . . . . 378 ALA N . 51059 1 245 . 1 . 1 156 156 GLU H H 1 8.9182 0.05 . 1 . . . . . 380 GLU H . 51059 1 246 . 1 . 1 156 156 GLU N N 15 125.85 0.05 . 1 . . . . . 380 GLU N . 51059 1 247 . 1 . 1 157 157 TRP H H 1 6.1843 0.05 . 1 . . . . . 381 TRP H . 51059 1 248 . 1 . 1 157 157 TRP N N 15 114.86 0.05 . 1 . . . . . 381 TRP N . 51059 1 249 . 1 . 1 158 158 GLU H H 1 9.1438 0.05 . 1 . . . . . 382 GLU H . 51059 1 250 . 1 . 1 158 158 GLU N N 15 118.50 0.05 . 1 . . . . . 382 GLU N . 51059 1 251 . 1 . 1 159 159 SER H H 1 8.9823 0.05 . 1 . . . . . 383 SER H . 51059 1 252 . 1 . 1 159 159 SER N N 15 113.13 0.05 . 1 . . . . . 383 SER N . 51059 1 253 . 1 . 1 160 160 ASN H H 1 9.4637 0.05 . 1 . . . . . 384 ASN H . 51059 1 254 . 1 . 1 160 160 ASN N N 15 126.54 0.05 . 1 . . . . . 384 ASN N . 51059 1 255 . 1 . 1 161 161 GLY H H 1 8.7678 0.05 . 1 . . . . . 385 GLY H . 51059 1 256 . 1 . 1 161 161 GLY N N 15 103.82 0.05 . 1 . . . . . 385 GLY N . 51059 1 257 . 1 . 1 162 162 GLN H H 1 7.9835 0.05 . 1 . . . . . 386 GLN H . 51059 1 258 . 1 . 1 162 162 GLN N N 15 119.93 0.05 . 1 . . . . . 386 GLN N . 51059 1 259 . 1 . 1 165 165 ASN H H 1 8.4664 0.05 . 1 . . . . . 389 ASN H . 51059 1 260 . 1 . 1 165 165 ASN N N 15 115.76 0.05 . 1 . . . . . 389 ASN N . 51059 1 261 . 1 . 1 167 167 TYR H H 1 7.5936 0.05 . 1 . . . . . 391 TYR H . 51059 1 262 . 1 . 1 167 167 TYR N N 15 115.45 0.05 . 1 . . . . . 391 TYR N . 51059 1 263 . 1 . 1 168 168 LYS H H 1 8.5287 0.05 . 1 . . . . . 392 LYS H . 51059 1 264 . 1 . 1 168 168 LYS N N 15 119.44 0.05 . 1 . . . . . 392 LYS N . 51059 1 265 . 1 . 1 169 169 THR H H 1 9.1272 0.05 . 1 . . . . . 393 THR H . 51059 1 266 . 1 . 1 169 169 THR N N 15 121.18 0.05 . 1 . . . . . 393 THR N . 51059 1 267 . 1 . 1 170 170 THR H H 1 9.6122 0.05 . 1 . . . . . 394 THR H . 51059 1 268 . 1 . 1 170 170 THR N N 15 118.29 0.05 . 1 . . . . . 394 THR N . 51059 1 269 . 1 . 1 173 173 VAL H H 1 9.3004 0.05 . 1 . . . . . 397 VAL H . 51059 1 270 . 1 . 1 173 173 VAL N N 15 126.45 0.05 . 1 . . . . . 397 VAL N . 51059 1 271 . 1 . 1 174 174 LEU H H 1 8.3905 0.05 . 1 . . . . . 398 LEU H . 51059 1 272 . 1 . 1 174 174 LEU N N 15 128.03 0.05 . 1 . . . . . 398 LEU N . 51059 1 273 . 1 . 1 175 175 ASP H H 1 9.6119 0.05 . 1 . . . . . 399 ASP H . 51059 1 274 . 1 . 1 175 175 ASP N N 15 128.91 0.05 . 1 . . . . . 399 ASP N . 51059 1 275 . 1 . 1 176 176 SER H H 1 9.8540 0.05 . 1 . . . . . 400 SER H . 51059 1 276 . 1 . 1 176 176 SER N N 15 116.38 0.05 . 1 . . . . . 400 SER N . 51059 1 277 . 1 . 1 177 177 ASP H H 1 7.6487 0.05 . 1 . . . . . 401 ASP H . 51059 1 278 . 1 . 1 177 177 ASP N N 15 117.68 0.05 . 1 . . . . . 401 ASP N . 51059 1 279 . 1 . 1 178 178 GLY H H 1 7.7346 0.05 . 1 . . . . . 402 GLY H . 51059 1 280 . 1 . 1 178 178 GLY N N 15 107.73 0.05 . 1 . . . . . 402 GLY N . 51059 1 281 . 1 . 1 179 179 SER H H 1 7.5885 0.05 . 1 . . . . . 403 SER H . 51059 1 282 . 1 . 1 179 179 SER N N 15 114.99 0.05 . 1 . . . . . 403 SER N . 51059 1 283 . 1 . 1 180 180 PHE H H 1 8.7434 0.05 . 1 . . . . . 404 PHE H . 51059 1 284 . 1 . 1 180 180 PHE N N 15 115.67 0.05 . 1 . . . . . 404 PHE N . 51059 1 285 . 1 . 1 181 181 PHE H H 1 8.7704 0.05 . 1 . . . . . 405 PHE H . 51059 1 286 . 1 . 1 181 181 PHE N N 15 111.78 0.05 . 1 . . . . . 405 PHE N . 51059 1 287 . 1 . 1 182 182 LEU H H 1 9.6147 0.05 . 1 . . . . . 406 LEU H . 51059 1 288 . 1 . 1 182 182 LEU N N 15 114.86 0.05 . 1 . . . . . 406 LEU N . 51059 1 289 . 1 . 1 183 183 TYR H H 1 8.1513 0.05 . 1 . . . . . 407 TYR H . 51059 1 290 . 1 . 1 183 183 TYR N N 15 115.83 0.05 . 1 . . . . . 407 TYR N . 51059 1 291 . 1 . 1 184 184 SER H H 1 9.4027 0.05 . 1 . . . . . 408 SER H . 51059 1 292 . 1 . 1 184 184 SER N N 15 114.56 0.05 . 1 . . . . . 408 SER N . 51059 1 293 . 1 . 1 185 185 LYS H H 1 9.6031 0.05 . 1 . . . . . 409 LYS H . 51059 1 294 . 1 . 1 185 185 LYS N N 15 131.37 0.05 . 1 . . . . . 409 LYS N . 51059 1 295 . 1 . 1 186 186 LEU H H 1 9.3302 0.05 . 1 . . . . . 410 LEU H . 51059 1 296 . 1 . 1 186 186 LEU N N 15 134.47 0.05 . 1 . . . . . 410 LEU N . 51059 1 297 . 1 . 1 188 188 VAL H H 1 8.5073 0.05 . 1 . . . . . 412 VAL H . 51059 1 298 . 1 . 1 188 188 VAL N N 15 119.72 0.05 . 1 . . . . . 412 VAL N . 51059 1 299 . 1 . 1 190 190 LYS H H 1 8.7812 0.05 . 1 . . . . . 414 LYS H . 51059 1 300 . 1 . 1 190 190 LYS N N 15 126.99 0.05 . 1 . . . . . 414 LYS N . 51059 1 301 . 1 . 1 191 191 SER H H 1 8.8702 0.05 . 1 . . . . . 415 SER H . 51059 1 302 . 1 . 1 191 191 SER N N 15 113.57 0.05 . 1 . . . . . 415 SER N . 51059 1 303 . 1 . 1 192 192 ARG H H 1 7.5006 0.05 . 1 . . . . . 416 ARG H . 51059 1 304 . 1 . 1 192 192 ARG N N 15 120.28 0.05 . 1 . . . . . 416 ARG N . 51059 1 305 . 1 . 1 193 193 TRP H H 1 7.5563 0.05 . 1 . . . . . 417 TRP H . 51059 1 306 . 1 . 1 193 193 TRP N N 15 119.58 0.05 . 1 . . . . . 417 TRP N . 51059 1 307 . 1 . 1 194 194 GLN H H 1 8.6034 0.05 . 1 . . . . . 418 GLN H . 51059 1 308 . 1 . 1 194 194 GLN N N 15 115.44 0.05 . 1 . . . . . 418 GLN N . 51059 1 309 . 1 . 1 195 195 GLN H H 1 7.7722 0.05 . 1 . . . . . 419 GLN H . 51059 1 310 . 1 . 1 195 195 GLN N N 15 115.88 0.05 . 1 . . . . . 419 GLN N . 51059 1 311 . 1 . 1 196 196 GLY H H 1 7.6425 0.05 . 1 . . . . . 420 GLY H . 51059 1 312 . 1 . 1 196 196 GLY N N 15 105.26 0.05 . 1 . . . . . 420 GLY N . 51059 1 313 . 1 . 1 197 197 ASN H H 1 6.9274 0.05 . 1 . . . . . 421 ASN H . 51059 1 314 . 1 . 1 197 197 ASN N N 15 116.24 0.05 . 1 . . . . . 421 ASN N . 51059 1 315 . 1 . 1 198 198 VAL H H 1 8.3677 0.05 . 1 . . . . . 422 VAL H . 51059 1 316 . 1 . 1 198 198 VAL N N 15 121.26 0.05 . 1 . . . . . 422 VAL N . 51059 1 317 . 1 . 1 199 199 PHE H H 1 9.1602 0.05 . 1 . . . . . 423 PHE H . 51059 1 318 . 1 . 1 199 199 PHE N N 15 128.64 0.05 . 1 . . . . . 423 PHE N . 51059 1 319 . 1 . 1 200 200 SER H H 1 9.5912 0.05 . 1 . . . . . 424 SER H . 51059 1 320 . 1 . 1 200 200 SER N N 15 115.43 0.05 . 1 . . . . . 424 SER N . 51059 1 321 . 1 . 1 201 201 CYS H H 1 8.6791 0.05 . 1 . . . . . 425 CYS H . 51059 1 322 . 1 . 1 201 201 CYS N N 15 126.58 0.05 . 1 . . . . . 425 CYS N . 51059 1 323 . 1 . 1 202 202 SER H H 1 8.8863 0.05 . 1 . . . . . 426 SER H . 51059 1 324 . 1 . 1 202 202 SER N N 15 123.90 0.05 . 1 . . . . . 426 SER N . 51059 1 325 . 1 . 1 203 203 VAL H H 1 8.5468 0.05 . 1 . . . . . 427 VAL H . 51059 1 326 . 1 . 1 203 203 VAL N N 15 124.02 0.05 . 1 . . . . . 427 VAL N . 51059 1 327 . 1 . 1 204 204 MET H H 1 8.8101 0.05 . 1 . . . . . 428 MET H . 51059 1 328 . 1 . 1 204 204 MET N N 15 123.50 0.05 . 1 . . . . . 428 MET N . 51059 1 329 . 1 . 1 205 205 HIS H H 1 7.1824 0.05 . 1 . . . . . 429 HIS H . 51059 1 330 . 1 . 1 205 205 HIS N N 15 120.23 0.05 . 1 . . . . . 429 HIS N . 51059 1 331 . 1 . 1 206 206 GLU H H 1 8.7699 0.05 . 1 . . . . . 430 GLU H . 51059 1 332 . 1 . 1 206 206 GLU N N 15 126.13 0.05 . 1 . . . . . 430 GLU N . 51059 1 333 . 1 . 1 207 207 ALA H H 1 10.552 0.05 . 1 . . . . . 431 ALA H . 51059 1 334 . 1 . 1 207 207 ALA N N 15 124.40 0.05 . 1 . . . . . 431 ALA N . 51059 1 335 . 1 . 1 208 208 LEU H H 1 7.2893 0.05 . 1 . . . . . 432 LEU H . 51059 1 336 . 1 . 1 208 208 LEU N N 15 116.71 0.05 . 1 . . . . . 432 LEU N . 51059 1 337 . 1 . 1 209 209 HIS H H 1 8.0333 0.05 . 1 . . . . . 433 HIS H . 51059 1 338 . 1 . 1 209 209 HIS N N 15 121.08 0.05 . 1 . . . . . 433 HIS N . 51059 1 339 . 1 . 1 211 211 HIS H H 1 8.5552 0.05 . 1 . . . . . 435 HIS H . 51059 1 340 . 1 . 1 211 211 HIS N N 15 108.83 0.05 . 1 . . . . . 435 HIS N . 51059 1 341 . 1 . 1 212 212 TYR H H 1 7.4151 0.05 . 1 . . . . . 436 TYR H . 51059 1 342 . 1 . 1 212 212 TYR N N 15 118.70 0.05 . 1 . . . . . 436 TYR N . 51059 1 343 . 1 . 1 213 213 THR H H 1 8.4495 0.05 . 1 . . . . . 437 THR H . 51059 1 344 . 1 . 1 213 213 THR N N 15 120.98 0.05 . 1 . . . . . 437 THR N . 51059 1 345 . 1 . 1 214 214 GLN H H 1 7.7450 0.05 . 1 . . . . . 438 GLN H . 51059 1 346 . 1 . 1 214 214 GLN N N 15 120.02 0.05 . 1 . . . . . 438 GLN N . 51059 1 347 . 1 . 1 215 215 LYS H H 1 8.5598 0.05 . 1 . . . . . 439 LYS H . 51059 1 348 . 1 . 1 215 215 LYS N N 15 123.47 0.05 . 1 . . . . . 439 LYS N . 51059 1 349 . 1 . 1 216 216 SER H H 1 8.7076 0.05 . 1 . . . . . 440 SER H . 51059 1 350 . 1 . 1 216 216 SER N N 15 118.84 0.05 . 1 . . . . . 440 SER N . 51059 1 351 . 1 . 1 217 217 LEU H H 1 9.5676 0.05 . 1 . . . . . 441 LEU H . 51059 1 352 . 1 . 1 217 217 LEU N N 15 124.41 0.05 . 1 . . . . . 441 LEU N . 51059 1 353 . 1 . 1 218 218 SER H H 1 8.3650 0.05 . 1 . . . . . 442 SER H . 51059 1 354 . 1 . 1 218 218 SER N N 15 115.96 0.05 . 1 . . . . . 442 SER N . 51059 1 355 . 1 . 1 219 219 LEU H H 1 8.7095 0.05 . 1 . . . . . 443 LEU H . 51059 1 356 . 1 . 1 219 219 LEU N N 15 124.47 0.05 . 1 . . . . . 443 LEU N . 51059 1 357 . 1 . 1 220 220 SER H H 1 8.2522 0.05 . 1 . . . . . 444 SER H . 51059 1 358 . 1 . 1 220 220 SER N N 15 119.80 0.05 . 1 . . . . . 444 SER N . 51059 1 359 . 1 . 1 222 222 GLY H H 1 7.9618 0.05 . 1 . . . . . 446 GLY H . 51059 1 360 . 1 . 1 222 222 GLY N N 15 115.30 0.05 . 1 . . . . . 446 GLY N . 51059 1 stop_ save_