data_52921 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52921 _Entry.Title ; NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) glycoform-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-21 _Entry.Accession_date 2025-02-21 _Entry.Last_release_date 2025-02-21 _Entry.Original_release_date 2025-02-21 _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 52921 2 Koichi Kato . . . 0000-0001-7187-9612 52921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 32 52921 '15N chemical shifts' 186 52921 '1H chemical shifts' 208 52921 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 1 . . 2025-07-22 . original BMRB . 52921 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52917 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, non-galactosylated (FG0) glycoform' 52921 BMRB 52918 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, galactosylated (FG2) glycoform' 52921 BMRB 52919 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, galactosylated (G2) glycoform' 52921 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52921 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34978013 _Citation.DOI 10.1007/s10858-021-00387-5 _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 'Journal of biomolecular NMR' _Citation.Journal_volume 76 _Citation.Journal_issue 1-2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 S. . . . 52921 1 2 Hirokazu Yagi H. . . . 52921 1 3 Rina Yogo R. . . . 52921 1 4 Masayoshi Onitsuka M. . . . 52921 1 5 Koichi Kato K. . . . 52921 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 52921 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploring Glycoform-Dependent Dynamic Modulations in the Fc Region of Human Immunoglobulin G via Computational and Experimental Approaches ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 . . . . 52921 2 2 Yoshitake Sakae . . . . 52921 2 3 Yohei Miyanoiri . . . . 52921 2 4 Takumi Yamaguchi . . . . 52921 2 5 Yukiko Isono . . . . 52921 2 6 Sachiko Kondo . . . . 52921 2 7 Miyuki Iwasaki . . . . 52921 2 8 Masayoshi Onitsuka . . . . 52921 2 9 Hirokazu Yagi . . . . 52921 2 10 Koichi Kato . . . . 52921 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52921 _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 1 _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 1 $entity_1 . . yes native no no . . . 52921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52921 _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 GQNENNYKTTPPVLDSDGSF FLYSKLTVDKSRWQQGNVFS CSVMHEALHNHYTQKSLSLS PGKXXXXXXX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 230 _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 'Glycan residues exist in the molecule' _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 . 52921 1 2 226 CYS . 52921 1 3 227 PRO . 52921 1 4 228 PRO . 52921 1 5 229 CYS . 52921 1 6 230 PRO . 52921 1 7 231 ALA . 52921 1 8 232 PRO . 52921 1 9 233 GLU . 52921 1 10 234 LEU . 52921 1 11 235 LEU . 52921 1 12 236 GLY . 52921 1 13 237 GLY . 52921 1 14 238 PRO . 52921 1 15 239 SER . 52921 1 16 240 VAL . 52921 1 17 241 PHE . 52921 1 18 242 LEU . 52921 1 19 243 PHE . 52921 1 20 244 PRO . 52921 1 21 245 PRO . 52921 1 22 246 LYS . 52921 1 23 247 PRO . 52921 1 24 248 LYS . 52921 1 25 249 ASP . 52921 1 26 250 THR . 52921 1 27 251 LEU . 52921 1 28 252 MET . 52921 1 29 253 ILE . 52921 1 30 254 SER . 52921 1 31 255 ARG . 52921 1 32 256 THR . 52921 1 33 257 PRO . 52921 1 34 258 GLU . 52921 1 35 259 VAL . 52921 1 36 260 THR . 52921 1 37 261 CYS . 52921 1 38 262 VAL . 52921 1 39 263 VAL . 52921 1 40 264 VAL . 52921 1 41 265 ASP . 52921 1 42 266 VAL . 52921 1 43 267 SER . 52921 1 44 268 HIS . 52921 1 45 269 GLU . 52921 1 46 270 ASP . 52921 1 47 271 PRO . 52921 1 48 272 GLU . 52921 1 49 273 VAL . 52921 1 50 274 LYS . 52921 1 51 275 PHE . 52921 1 52 276 ASN . 52921 1 53 277 TRP . 52921 1 54 278 TYR . 52921 1 55 279 VAL . 52921 1 56 280 ASP . 52921 1 57 281 GLY . 52921 1 58 282 VAL . 52921 1 59 283 GLU . 52921 1 60 284 VAL . 52921 1 61 285 HIS . 52921 1 62 286 ASN . 52921 1 63 287 ALA . 52921 1 64 288 LYS . 52921 1 65 289 THR . 52921 1 66 290 LYS . 52921 1 67 291 PRO . 52921 1 68 292 ARG . 52921 1 69 293 GLU . 52921 1 70 294 GLU . 52921 1 71 295 GLN . 52921 1 72 296 TYR . 52921 1 73 297 ASN . 52921 1 74 298 SER . 52921 1 75 299 THR . 52921 1 76 300 TYR . 52921 1 77 301 ARG . 52921 1 78 302 VAL . 52921 1 79 303 VAL . 52921 1 80 304 SER . 52921 1 81 305 VAL . 52921 1 82 306 LEU . 52921 1 83 307 THR . 52921 1 84 308 VAL . 52921 1 85 309 LEU . 52921 1 86 310 HIS . 52921 1 87 311 GLN . 52921 1 88 312 ASP . 52921 1 89 313 TRP . 52921 1 90 314 LEU . 52921 1 91 315 ASN . 52921 1 92 316 GLY . 52921 1 93 317 LYS . 52921 1 94 318 GLU . 52921 1 95 319 TYR . 52921 1 96 320 LYS . 52921 1 97 321 CYS . 52921 1 98 322 LYS . 52921 1 99 323 VAL . 52921 1 100 324 SER . 52921 1 101 325 ASN . 52921 1 102 326 LYS . 52921 1 103 327 ALA . 52921 1 104 328 LEU . 52921 1 105 329 PRO . 52921 1 106 330 ALA . 52921 1 107 331 PRO . 52921 1 108 332 ILE . 52921 1 109 333 GLU . 52921 1 110 334 LYS . 52921 1 111 335 THR . 52921 1 112 336 ILE . 52921 1 113 337 SER . 52921 1 114 338 LYS . 52921 1 115 339 ALA . 52921 1 116 340 LYS . 52921 1 117 341 GLY . 52921 1 118 342 GLN . 52921 1 119 343 PRO . 52921 1 120 344 ARG . 52921 1 121 345 GLU . 52921 1 122 346 PRO . 52921 1 123 347 GLN . 52921 1 124 348 VAL . 52921 1 125 349 TYR . 52921 1 126 350 THR . 52921 1 127 351 LEU . 52921 1 128 352 PRO . 52921 1 129 353 PRO . 52921 1 130 354 SER . 52921 1 131 355 ARG . 52921 1 132 356 ASP . 52921 1 133 357 GLU . 52921 1 134 358 LEU . 52921 1 135 359 THR . 52921 1 136 360 LYS . 52921 1 137 361 ASN . 52921 1 138 362 GLN . 52921 1 139 363 VAL . 52921 1 140 364 SER . 52921 1 141 365 LEU . 52921 1 142 366 THR . 52921 1 143 367 CYS . 52921 1 144 368 LEU . 52921 1 145 369 VAL . 52921 1 146 370 LYS . 52921 1 147 371 GLY . 52921 1 148 372 PHE . 52921 1 149 373 TYR . 52921 1 150 374 PRO . 52921 1 151 375 SER . 52921 1 152 376 ASP . 52921 1 153 377 ILE . 52921 1 154 378 ALA . 52921 1 155 379 VAL . 52921 1 156 380 GLU . 52921 1 157 381 TRP . 52921 1 158 382 GLU . 52921 1 159 383 SER . 52921 1 160 384 ASN . 52921 1 161 385 GLY . 52921 1 162 386 GLN . 52921 1 163 387 ASN . 52921 1 164 388 GLU . 52921 1 165 389 ASN . 52921 1 166 390 ASN . 52921 1 167 391 TYR . 52921 1 168 392 LYS . 52921 1 169 393 THR . 52921 1 170 394 THR . 52921 1 171 395 PRO . 52921 1 172 396 PRO . 52921 1 173 397 VAL . 52921 1 174 398 LEU . 52921 1 175 399 ASP . 52921 1 176 400 SER . 52921 1 177 401 ASP . 52921 1 178 402 GLY . 52921 1 179 403 SER . 52921 1 180 404 PHE . 52921 1 181 405 PHE . 52921 1 182 406 LEU . 52921 1 183 407 TYR . 52921 1 184 408 SER . 52921 1 185 409 LYS . 52921 1 186 410 LEU . 52921 1 187 411 THR . 52921 1 188 412 VAL . 52921 1 189 413 ASP . 52921 1 190 414 LYS . 52921 1 191 415 SER . 52921 1 192 416 ARG . 52921 1 193 417 TRP . 52921 1 194 418 GLN . 52921 1 195 419 GLN . 52921 1 196 420 GLY . 52921 1 197 421 ASN . 52921 1 198 422 VAL . 52921 1 199 423 PHE . 52921 1 200 424 SER . 52921 1 201 425 CYS . 52921 1 202 426 SER . 52921 1 203 427 VAL . 52921 1 204 428 MET . 52921 1 205 429 HIS . 52921 1 206 430 GLU . 52921 1 207 431 ALA . 52921 1 208 432 LEU . 52921 1 209 433 HIS . 52921 1 210 434 ASN . 52921 1 211 435 HIS . 52921 1 212 436 TYR . 52921 1 213 437 THR . 52921 1 214 438 GLN . 52921 1 215 439 LYS . 52921 1 216 440 SER . 52921 1 217 441 LEU . 52921 1 218 442 SER . 52921 1 219 443 LEU . 52921 1 220 444 SER . 52921 1 221 445 PRO . 52921 1 222 446 GLY . 52921 1 223 447 LYS . 52921 1 224 448 GN1 . 52921 1 225 449 GN2 . 52921 1 226 450 M3 . 52921 1 227 451 M4 . 52921 1 228 452 GN5 . 52921 1 229 453 M4 . 52921 1 230 454 GN5 . 52921 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 52921 1 . CYS 2 2 52921 1 . PRO 3 3 52921 1 . PRO 4 4 52921 1 . CYS 5 5 52921 1 . PRO 6 6 52921 1 . ALA 7 7 52921 1 . PRO 8 8 52921 1 . GLU 9 9 52921 1 . LEU 10 10 52921 1 . LEU 11 11 52921 1 . GLY 12 12 52921 1 . GLY 13 13 52921 1 . PRO 14 14 52921 1 . SER 15 15 52921 1 . VAL 16 16 52921 1 . PHE 17 17 52921 1 . LEU 18 18 52921 1 . PHE 19 19 52921 1 . PRO 20 20 52921 1 . PRO 21 21 52921 1 . LYS 22 22 52921 1 . PRO 23 23 52921 1 . LYS 24 24 52921 1 . ASP 25 25 52921 1 . THR 26 26 52921 1 . LEU 27 27 52921 1 . MET 28 28 52921 1 . ILE 29 29 52921 1 . SER 30 30 52921 1 . ARG 31 31 52921 1 . THR 32 32 52921 1 . PRO 33 33 52921 1 . GLU 34 34 52921 1 . VAL 35 35 52921 1 . THR 36 36 52921 1 . CYS 37 37 52921 1 . VAL 38 38 52921 1 . VAL 39 39 52921 1 . VAL 40 40 52921 1 . ASP 41 41 52921 1 . VAL 42 42 52921 1 . SER 43 43 52921 1 . HIS 44 44 52921 1 . GLU 45 45 52921 1 . ASP 46 46 52921 1 . PRO 47 47 52921 1 . GLU 48 48 52921 1 . VAL 49 49 52921 1 . LYS 50 50 52921 1 . PHE 51 51 52921 1 . ASN 52 52 52921 1 . TRP 53 53 52921 1 . TYR 54 54 52921 1 . VAL 55 55 52921 1 . ASP 56 56 52921 1 . GLY 57 57 52921 1 . VAL 58 58 52921 1 . GLU 59 59 52921 1 . VAL 60 60 52921 1 . HIS 61 61 52921 1 . ASN 62 62 52921 1 . ALA 63 63 52921 1 . LYS 64 64 52921 1 . THR 65 65 52921 1 . LYS 66 66 52921 1 . PRO 67 67 52921 1 . ARG 68 68 52921 1 . GLU 69 69 52921 1 . GLU 70 70 52921 1 . GLN 71 71 52921 1 . TYR 72 72 52921 1 . ASN 73 73 52921 1 . SER 74 74 52921 1 . THR 75 75 52921 1 . TYR 76 76 52921 1 . ARG 77 77 52921 1 . VAL 78 78 52921 1 . VAL 79 79 52921 1 . SER 80 80 52921 1 . VAL 81 81 52921 1 . LEU 82 82 52921 1 . THR 83 83 52921 1 . VAL 84 84 52921 1 . LEU 85 85 52921 1 . HIS 86 86 52921 1 . GLN 87 87 52921 1 . ASP 88 88 52921 1 . TRP 89 89 52921 1 . LEU 90 90 52921 1 . ASN 91 91 52921 1 . GLY 92 92 52921 1 . LYS 93 93 52921 1 . GLU 94 94 52921 1 . TYR 95 95 52921 1 . LYS 96 96 52921 1 . CYS 97 97 52921 1 . LYS 98 98 52921 1 . VAL 99 99 52921 1 . SER 100 100 52921 1 . ASN 101 101 52921 1 . LYS 102 102 52921 1 . ALA 103 103 52921 1 . LEU 104 104 52921 1 . PRO 105 105 52921 1 . ALA 106 106 52921 1 . PRO 107 107 52921 1 . ILE 108 108 52921 1 . GLU 109 109 52921 1 . LYS 110 110 52921 1 . THR 111 111 52921 1 . ILE 112 112 52921 1 . SER 113 113 52921 1 . LYS 114 114 52921 1 . ALA 115 115 52921 1 . LYS 116 116 52921 1 . GLY 117 117 52921 1 . GLN 118 118 52921 1 . PRO 119 119 52921 1 . ARG 120 120 52921 1 . GLU 121 121 52921 1 . PRO 122 122 52921 1 . GLN 123 123 52921 1 . VAL 124 124 52921 1 . TYR 125 125 52921 1 . THR 126 126 52921 1 . LEU 127 127 52921 1 . PRO 128 128 52921 1 . PRO 129 129 52921 1 . SER 130 130 52921 1 . ARG 131 131 52921 1 . ASP 132 132 52921 1 . GLU 133 133 52921 1 . LEU 134 134 52921 1 . THR 135 135 52921 1 . LYS 136 136 52921 1 . ASN 137 137 52921 1 . GLN 138 138 52921 1 . VAL 139 139 52921 1 . SER 140 140 52921 1 . LEU 141 141 52921 1 . THR 142 142 52921 1 . CYS 143 143 52921 1 . LEU 144 144 52921 1 . VAL 145 145 52921 1 . LYS 146 146 52921 1 . GLY 147 147 52921 1 . PHE 148 148 52921 1 . TYR 149 149 52921 1 . PRO 150 150 52921 1 . SER 151 151 52921 1 . ASP 152 152 52921 1 . ILE 153 153 52921 1 . ALA 154 154 52921 1 . VAL 155 155 52921 1 . GLU 156 156 52921 1 . TRP 157 157 52921 1 . GLU 158 158 52921 1 . SER 159 159 52921 1 . ASN 160 160 52921 1 . GLY 161 161 52921 1 . GLN 162 162 52921 1 . ASN 163 163 52921 1 . GLU 164 164 52921 1 . ASN 165 165 52921 1 . ASN 166 166 52921 1 . TYR 167 167 52921 1 . LYS 168 168 52921 1 . THR 169 169 52921 1 . THR 170 170 52921 1 . PRO 171 171 52921 1 . PRO 172 172 52921 1 . VAL 173 173 52921 1 . LEU 174 174 52921 1 . ASP 175 175 52921 1 . SER 176 176 52921 1 . ASP 177 177 52921 1 . GLY 178 178 52921 1 . SER 179 179 52921 1 . PHE 180 180 52921 1 . PHE 181 181 52921 1 . LEU 182 182 52921 1 . TYR 183 183 52921 1 . SER 184 184 52921 1 . LYS 185 185 52921 1 . LEU 186 186 52921 1 . THR 187 187 52921 1 . VAL 188 188 52921 1 . ASP 189 189 52921 1 . LYS 190 190 52921 1 . SER 191 191 52921 1 . ARG 192 192 52921 1 . TRP 193 193 52921 1 . GLN 194 194 52921 1 . GLN 195 195 52921 1 . GLY 196 196 52921 1 . ASN 197 197 52921 1 . VAL 198 198 52921 1 . PHE 199 199 52921 1 . SER 200 200 52921 1 . CYS 201 201 52921 1 . SER 202 202 52921 1 . VAL 203 203 52921 1 . MET 204 204 52921 1 . HIS 205 205 52921 1 . GLU 206 206 52921 1 . ALA 207 207 52921 1 . LEU 208 208 52921 1 . HIS 209 209 52921 1 . ASN 210 210 52921 1 . HIS 211 211 52921 1 . TYR 212 212 52921 1 . THR 213 213 52921 1 . GLN 214 214 52921 1 . LYS 215 215 52921 1 . SER 216 216 52921 1 . LEU 217 217 52921 1 . SER 218 218 52921 1 . LEU 219 219 52921 1 . SER 220 220 52921 1 . PRO 221 221 52921 1 . GLY 222 222 52921 1 . LYS 223 223 52921 1 . GN1 224 224 52921 1 . GN2 225 225 52921 1 . M3 226 226 52921 1 . M4 227 227 52921 1 . GN5 228 228 52921 1 . M4 229 229 52921 1 . GN5 230 230 52921 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 52921 _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 . . . . . . . . . . . . . 52921 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 52921 _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' 'Cricetulus griseus' . . . Cricetulus griseus . . . none . . none . . . 52921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52921 _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 . . 0.4 . . mM . . . . 52921 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52921 1 3 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 52921 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 52921 _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 pH 6.7 0.7 pH 52921 1 pressure 1 . atm 52921 1 temperature 315 . K 52921 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52921 _Software.ID 1 _Software.Type . _Software.Name 'TOPSPIN, SPARKY' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52921 1 collection . 52921 1 'data analysis' . 52921 1 processing . 52921 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 52921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE 800, AVANCE NEO 800' _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 52921 _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 . . . . . . . . . . . . . . . . . 52921 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 3 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 4 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 5 '1H-13C HMBC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 6 '2D 1H-13C HSQC-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 7 '2D COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 1 8 '2D TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52921 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 52921 _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 C 13 na 'methyl carbons' . . . . ppm -2.487 na direct 1 . . . . . 52921 1 H 1 DSS 'methyl protons' . . . . ppm 0.074 external direct 1 . . . . . 52921 1 N 15 na nitrogen . . . . ppm -4.515 na direct 1 . . . . . 52921 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 52921 _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' . . . 52921 1 2 '3D HNCO' . . . 52921 1 3 '3D HCACO' . . . 52921 1 4 '3D HCCH-COSY' . . . 52921 1 5 '1H-13C HMBC' . . . 52921 1 6 '2D 1H-13C HSQC-TOCSY' . . . 52921 1 7 '2D COSY' . . . 52921 1 8 '2D TOCSY' . . . 52921 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 . . 52921 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 . 52921 1 2 . 1 . 1 2 2 CYS N N 15 118.95 0.05 . 1 . . . . . 226 CYS N . 52921 1 3 . 1 . 1 7 7 ALA H H 1 8.2925 0.05 . 1 . . . . . 231 ALA H . 52921 1 4 . 1 . 1 7 7 ALA N N 15 125.77 0.05 . 1 . . . . . 231 ALA N . 52921 1 5 . 1 . 1 9 9 GLU H H 1 8.5854 0.05 . 1 . . . . . 233 GLU H . 52921 1 6 . 1 . 1 9 9 GLU N N 15 120.36 0.05 . 1 . . . . . 233 GLU N . 52921 1 7 . 1 . 1 11 11 LEU H H 1 8.1311 0.05 . 1 . . . . . 235 LEU H . 52921 1 8 . 1 . 1 11 11 LEU N N 15 123.30 0.05 . 1 . . . . . 235 LEU N . 52921 1 9 . 1 . 1 12 12 GLY H H 1 8.3890 0.05 . 1 . . . . . 236 GLY H . 52921 1 10 . 1 . 1 12 12 GLY N N 15 109.54 0.05 . 1 . . . . . 236 GLY N . 52921 1 11 . 1 . 1 13 13 GLY H H 1 8.0072 0.05 . 1 . . . . . 237 GLY H . 52921 1 12 . 1 . 1 13 13 GLY N N 15 108.48 0.05 . 1 . . . . . 237 GLY N . 52921 1 13 . 1 . 1 15 15 SER H H 1 8.1038 0.05 . 1 . . . . . 239 SER H . 52921 1 14 . 1 . 1 15 15 SER N N 15 113.69 0.05 . 1 . . . . . 239 SER N . 52921 1 15 . 1 . 1 16 16 VAL H H 1 7.9699 0.05 . 1 . . . . . 240 VAL H . 52921 1 16 . 1 . 1 16 16 VAL N N 15 121.55 0.05 . 1 . . . . . 240 VAL N . 52921 1 17 . 1 . 1 17 17 PHE H H 1 9.4575 0.05 . 1 . . . . . 241 PHE H . 52921 1 18 . 1 . 1 17 17 PHE N N 15 124.52 0.05 . 1 . . . . . 241 PHE N . 52921 1 19 . 1 . 1 18 18 LEU H H 1 8.2693 0.05 . 1 . . . . . 242 LEU H . 52921 1 20 . 1 . 1 18 18 LEU N N 15 124.95 0.05 . 1 . . . . . 242 LEU N . 52921 1 21 . 1 . 1 19 19 PHE H H 1 9.3530 0.05 . 1 . . . . . 243 PHE H . 52921 1 22 . 1 . 1 19 19 PHE N N 15 123.91 0.05 . 1 . . . . . 243 PHE N . 52921 1 23 . 1 . 1 22 22 LYS H H 1 8.6625 0.05 . 1 . . . . . 246 LYS H . 52921 1 24 . 1 . 1 22 22 LYS N N 15 122.31 0.05 . 1 . . . . . 246 LYS N . 52921 1 25 . 1 . 1 24 24 LYS H H 1 8.8677 0.05 . 1 . . . . . 248 LYS H . 52921 1 26 . 1 . 1 24 24 LYS N N 15 115.63 0.05 . 1 . . . . . 248 LYS N . 52921 1 27 . 1 . 1 26 26 THR H H 1 7.1085 0.05 . 1 . . . . . 250 THR H . 52921 1 28 . 1 . 1 26 26 THR N N 15 104.62 0.05 . 1 . . . . . 250 THR N . 52921 1 29 . 1 . 1 27 27 LEU H H 1 7.1525 0.05 . 1 . . . . . 251 LEU H . 52921 1 30 . 1 . 1 27 27 LEU N N 15 117.49 0.05 . 1 . . . . . 251 LEU N . 52921 1 31 . 1 . 1 28 28 MET H H 1 7.2914 0.05 . 1 . . . . . 252 MET H . 52921 1 32 . 1 . 1 28 28 MET N N 15 119.10 0.05 . 1 . . . . . 252 MET N . 52921 1 33 . 1 . 1 29 29 ILE H H 1 8.2816 0.05 . 1 . . . . . 253 ILE H . 52921 1 34 . 1 . 1 29 29 ILE N N 15 123.01 0.05 . 1 . . . . . 253 ILE N . 52921 1 35 . 1 . 1 31 31 ARG H H 1 7.8310 0.05 . 1 . . . . . 255 ARG H . 52921 1 36 . 1 . 1 31 31 ARG N N 15 122.94 0.05 . 1 . . . . . 255 ARG N . 52921 1 37 . 1 . 1 32 32 THR H H 1 8.4608 0.05 . 1 . . . . . 256 THR H . 52921 1 38 . 1 . 1 32 32 THR N N 15 115.54 0.05 . 1 . . . . . 256 THR N . 52921 1 39 . 1 . 1 34 34 GLU H H 1 7.7699 0.05 . 1 . . . . . 258 GLU H . 52921 1 40 . 1 . 1 34 34 GLU N N 15 117.73 0.05 . 1 . . . . . 258 GLU N . 52921 1 41 . 1 . 1 35 35 VAL H H 1 8.6192 0.05 . 1 . . . . . 259 VAL H . 52921 1 42 . 1 . 1 35 35 VAL N N 15 120.46 0.05 . 1 . . . . . 259 VAL N . 52921 1 43 . 1 . 1 36 36 THR H H 1 7.9978 0.05 . 1 . . . . . 260 THR H . 52921 1 44 . 1 . 1 36 36 THR N N 15 119.59 0.05 . 1 . . . . . 260 THR N . 52921 1 45 . 1 . 1 37 37 CYS H H 1 10.108 0.05 . 1 . . . . . 261 CYS H . 52921 1 46 . 1 . 1 37 37 CYS N N 15 131.12 0.05 . 1 . . . . . 261 CYS N . 52921 1 47 . 1 . 1 38 38 VAL H H 1 9.6594 0.05 . 1 . . . . . 262 VAL H . 52921 1 48 . 1 . 1 38 38 VAL N N 15 127.30 0.05 . 1 . . . . . 262 VAL N . 52921 1 49 . 1 . 1 39 39 VAL H H 1 9.4524 0.05 . 1 . . . . . 263 VAL H . 52921 1 50 . 1 . 1 39 39 VAL N N 15 127.49 0.05 . 1 . . . . . 263 VAL N . 52921 1 51 . 1 . 1 40 40 VAL H H 1 8.9888 0.05 . 1 . . . . . 264 VAL H . 52921 1 52 . 1 . 1 40 40 VAL N N 15 119.31 0.05 . 1 . . . . . 264 VAL N . 52921 1 53 . 1 . 1 42 42 VAL H H 1 7.8812 0.05 . 1 . . . . . 266 VAL H . 52921 1 54 . 1 . 1 42 42 VAL N N 15 117.99 0.05 . 1 . . . . . 266 VAL N . 52921 1 55 . 1 . 1 43 43 SER H H 1 8.5791 0.05 . 1 . . . . . 267 SER H . 52921 1 56 . 1 . 1 43 43 SER N N 15 123.76 0.05 . 1 . . . . . 267 SER N . 52921 1 57 . 1 . 1 44 44 HIS H H 1 8.8718 0.05 . 1 . . . . . 268 HIS H . 52921 1 58 . 1 . 1 44 44 HIS N N 15 118.13 0.05 . 1 . . . . . 268 HIS N . 52921 1 59 . 1 . 1 45 45 GLU H H 1 8.2975 0.05 . 1 . . . . . 269 GLU H . 52921 1 60 . 1 . 1 45 45 GLU N N 15 116.98 0.05 . 1 . . . . . 269 GLU N . 52921 1 61 . 1 . 1 46 46 ASP H H 1 7.3019 0.05 . 1 . . . . . 270 ASP H . 52921 1 62 . 1 . 1 46 46 ASP N N 15 116.55 0.05 . 1 . . . . . 270 ASP N . 52921 1 63 . 1 . 1 48 48 GLU H H 1 7.7345 0.05 . 1 . . . . . 272 GLU H . 52921 1 64 . 1 . 1 48 48 GLU N N 15 119.24 0.05 . 1 . . . . . 272 GLU N . 52921 1 65 . 1 . 1 50 50 LYS H H 1 8.2881 0.05 . 1 . . . . . 274 LYS H . 52921 1 66 . 1 . 1 50 50 LYS N N 15 126.49 0.05 . 1 . . . . . 274 LYS N . 52921 1 67 . 1 . 1 52 52 ASN H H 1 9.3009 0.05 . 1 . . . . . 276 ASN H . 52921 1 68 . 1 . 1 52 52 ASN N N 15 120.60 0.05 . 1 . . . . . 276 ASN N . 52921 1 69 . 1 . 1 53 53 TRP H H 1 8.8780 0.05 . 1 . . . . . 277 TRP H . 52921 1 70 . 1 . 1 53 53 TRP N N 15 122.96 0.05 . 1 . . . . . 277 TRP N . 52921 1 71 . 1 . 1 54 54 TYR H H 1 9.2164 0.05 . 1 . . . . . 278 TYR H . 52921 1 72 . 1 . 1 54 54 TYR N N 15 116.61 0.05 . 1 . . . . . 278 TYR N . 52921 1 73 . 1 . 1 55 55 VAL H H 1 8.9745 0.05 . 1 . . . . . 279 VAL H . 52921 1 74 . 1 . 1 55 55 VAL N N 15 121.88 0.05 . 1 . . . . . 279 VAL N . 52921 1 75 . 1 . 1 56 56 ASP H H 1 9.9539 0.05 . 1 . . . . . 280 ASP H . 52921 1 76 . 1 . 1 56 56 ASP N N 15 131.61 0.05 . 1 . . . . . 280 ASP N . 52921 1 77 . 1 . 1 57 57 GLY H H 1 9.0805 0.05 . 1 . . . . . 281 GLY H . 52921 1 78 . 1 . 1 57 57 GLY N N 15 102.23 0.05 . 1 . . . . . 281 GLY N . 52921 1 79 . 1 . 1 58 58 VAL H H 1 7.9967 0.05 . 1 . . . . . 282 VAL H . 52921 1 80 . 1 . 1 58 58 VAL N N 15 124.02 0.05 . 1 . . . . . 282 VAL N . 52921 1 81 . 1 . 1 59 59 GLU H H 1 8.9308 0.05 . 1 . . . . . 283 GLU H . 52921 1 82 . 1 . 1 59 59 GLU N N 15 129.74 0.05 . 1 . . . . . 283 GLU N . 52921 1 83 . 1 . 1 60 60 VAL H H 1 8.2201 0.05 . 1 . . . . . 284 VAL H . 52921 1 84 . 1 . 1 60 60 VAL N N 15 118.89 0.05 . 1 . . . . . 284 VAL N . 52921 1 85 . 1 . 1 62 62 ASN H H 1 8.1513 0.05 . 1 . . . . . 286 ASN H . 52921 1 86 . 1 . 1 62 62 ASN N N 15 115.83 0.05 . 1 . . . . . 286 ASN N . 52921 1 87 . 1 . 1 63 63 ALA H H 1 8.1524 0.05 . 1 . . . . . 287 ALA H . 52921 1 88 . 1 . 1 63 63 ALA N N 15 123.91 0.05 . 1 . . . . . 287 ALA N . 52921 1 89 . 1 . 1 64 64 LYS H H 1 8.5564 0.05 . 1 . . . . . 288 LYS H . 52921 1 90 . 1 . 1 64 64 LYS N N 15 120.73 0.05 . 1 . . . . . 288 LYS N . 52921 1 91 . 1 . 1 65 65 THR H H 1 8.6722 0.05 . 1 . . . . . 289 THR H . 52921 1 92 . 1 . 1 65 65 THR N N 15 122.67 0.05 . 1 . . . . . 289 THR N . 52921 1 93 . 1 . 1 66 66 LYS H H 1 8.9091 0.05 . 1 . . . . . 290 LYS H . 52921 1 94 . 1 . 1 66 66 LYS N N 15 129.49 0.05 . 1 . . . . . 290 LYS N . 52921 1 95 . 1 . 1 68 68 ARG H H 1 8.5146 0.05 . 1 . . . . . 292 ARG H . 52921 1 96 . 1 . 1 68 68 ARG N N 15 122.55 0.05 . 1 . . . . . 292 ARG N . 52921 1 97 . 1 . 1 69 69 GLU H H 1 8.8273 0.05 . 1 . . . . . 293 GLU H . 52921 1 98 . 1 . 1 69 69 GLU N N 15 121.55 0.05 . 1 . . . . . 293 GLU N . 52921 1 99 . 1 . 1 70 70 GLU H H 1 9.2814 0.05 . 1 . . . . . 294 GLU H . 52921 1 100 . 1 . 1 70 70 GLU N N 15 127.01 0.05 . 1 . . . . . 294 GLU N . 52921 1 101 . 1 . 1 71 71 GLN H H 1 8.4377 0.05 . 1 . . . . . 295 GLN H . 52921 1 102 . 1 . 1 71 71 GLN N N 15 123.61 0.05 . 1 . . . . . 295 GLN N . 52921 1 103 . 1 . 1 72 72 TYR H H 1 8.9679 0.05 . 1 . . . . . 296 TYR H . 52921 1 104 . 1 . 1 72 72 TYR N N 15 120.50 0.05 . 1 . . . . . 296 TYR N . 52921 1 105 . 1 . 1 73 73 ASN H H 1 7.1881 0.05 . 1 . . . . . 297 ASN H . 52921 1 106 . 1 . 1 73 73 ASN N N 15 115.00 0.05 . 1 . . . . . 297 ASN N . 52921 1 107 . 1 . 1 74 74 SER H H 1 7.9551 0.05 . 1 . . . . . 298 SER H . 52921 1 108 . 1 . 1 74 74 SER N N 15 109.03 0.05 . 1 . . . . . 298 SER N . 52921 1 109 . 1 . 1 75 75 THR H H 1 6.8992 0.05 . 1 . . . . . 299 THR H . 52921 1 110 . 1 . 1 75 75 THR N N 15 105.48 0.05 . 1 . . . . . 299 THR N . 52921 1 111 . 1 . 1 76 76 TYR H H 1 9.3727 0.05 . 1 . . . . . 300 TYR H . 52921 1 112 . 1 . 1 76 76 TYR N N 15 116.15 0.05 . 1 . . . . . 300 TYR N . 52921 1 113 . 1 . 1 77 77 ARG H H 1 8.7484 0.05 . 1 . . . . . 301 ARG H . 52921 1 114 . 1 . 1 77 77 ARG N N 15 122.73 0.05 . 1 . . . . . 301 ARG N . 52921 1 115 . 1 . 1 78 78 VAL H H 1 9.4020 0.05 . 1 . . . . . 302 VAL H . 52921 1 116 . 1 . 1 78 78 VAL N N 15 127.05 0.05 . 1 . . . . . 302 VAL N . 52921 1 117 . 1 . 1 79 79 VAL H H 1 8.3535 0.05 . 1 . . . . . 303 VAL H . 52921 1 118 . 1 . 1 79 79 VAL N N 15 127.22 0.05 . 1 . . . . . 303 VAL N . 52921 1 119 . 1 . 1 80 80 SER H H 1 9.0408 0.05 . 1 . . . . . 304 SER H . 52921 1 120 . 1 . 1 80 80 SER N N 15 120.73 0.05 . 1 . . . . . 304 SER N . 52921 1 121 . 1 . 1 81 81 VAL H H 1 8.7279 0.05 . 1 . . . . . 305 VAL H . 52921 1 122 . 1 . 1 81 81 VAL N N 15 126.41 0.05 . 1 . . . . . 305 VAL N . 52921 1 123 . 1 . 1 82 82 LEU H H 1 8.5534 0.05 . 1 . . . . . 306 LEU H . 52921 1 124 . 1 . 1 82 82 LEU N N 15 130.19 0.05 . 1 . . . . . 306 LEU N . 52921 1 125 . 1 . 1 83 83 THR H H 1 7.9962 0.05 . 1 . . . . . 307 THR H . 52921 1 126 . 1 . 1 83 83 THR N N 15 122.73 0.05 . 1 . . . . . 307 THR N . 52921 1 127 . 1 . 1 84 84 VAL H H 1 7.9107 0.05 . 1 . . . . . 308 VAL H . 52921 1 128 . 1 . 1 84 84 VAL N N 15 120.47 0.05 . 1 . . . . . 308 VAL N . 52921 1 129 . 1 . 1 85 85 LEU H H 1 8.4281 0.05 . 1 . . . . . 309 LEU H . 52921 1 130 . 1 . 1 85 85 LEU N N 15 122.31 0.05 . 1 . . . . . 309 LEU N . 52921 1 131 . 1 . 1 87 87 GLN H H 1 9.1742 0.05 . 1 . . . . . 311 GLN H . 52921 1 132 . 1 . 1 87 87 GLN N N 15 113.25 0.05 . 1 . . . . . 311 GLN N . 52921 1 133 . 1 . 1 88 88 ASP H H 1 7.0320 0.05 . 1 . . . . . 312 ASP H . 52921 1 134 . 1 . 1 88 88 ASP N N 15 119.83 0.05 . 1 . . . . . 312 ASP N . 52921 1 135 . 1 . 1 89 89 TRP H H 1 7.7369 0.05 . 1 . . . . . 313 TRP H . 52921 1 136 . 1 . 1 89 89 TRP N N 15 118.95 0.05 . 1 . . . . . 313 TRP N . 52921 1 137 . 1 . 1 90 90 LEU H H 1 8.3182 0.05 . 1 . . . . . 314 LEU H . 52921 1 138 . 1 . 1 90 90 LEU N N 15 115.93 0.05 . 1 . . . . . 314 LEU N . 52921 1 139 . 1 . 1 91 91 ASN H H 1 8.1017 0.05 . 1 . . . . . 315 ASN H . 52921 1 140 . 1 . 1 91 91 ASN N N 15 115.76 0.05 . 1 . . . . . 315 ASN N . 52921 1 141 . 1 . 1 92 92 GLY H H 1 7.7594 0.05 . 1 . . . . . 316 GLY H . 52921 1 142 . 1 . 1 92 92 GLY N N 15 107.19 0.05 . 1 . . . . . 316 GLY N . 52921 1 143 . 1 . 1 93 93 LYS H H 1 7.4541 0.05 . 1 . . . . . 317 LYS H . 52921 1 144 . 1 . 1 93 93 LYS N N 15 118.55 0.05 . 1 . . . . . 317 LYS N . 52921 1 145 . 1 . 1 94 94 GLU H H 1 8.5419 0.05 . 1 . . . . . 318 GLU H . 52921 1 146 . 1 . 1 94 94 GLU N N 15 119.43 0.05 . 1 . . . . . 318 GLU N . 52921 1 147 . 1 . 1 95 95 TYR H H 1 9.1434 0.05 . 1 . . . . . 319 TYR H . 52921 1 148 . 1 . 1 95 95 TYR N N 15 127.12 0.05 . 1 . . . . . 319 TYR N . 52921 1 149 . 1 . 1 96 96 LYS H H 1 9.4521 0.05 . 1 . . . . . 320 LYS H . 52921 1 150 . 1 . 1 96 96 LYS N N 15 123.82 0.05 . 1 . . . . . 320 LYS N . 52921 1 151 . 1 . 1 97 97 CYS H H 1 8.7180 0.05 . 1 . . . . . 321 CYS H . 52921 1 152 . 1 . 1 97 97 CYS N N 15 125.52 0.05 . 1 . . . . . 321 CYS N . 52921 1 153 . 1 . 1 98 98 LYS H H 1 9.1134 0.05 . 1 . . . . . 322 LYS H . 52921 1 154 . 1 . 1 98 98 LYS N N 15 128.61 0.05 . 1 . . . . . 322 LYS N . 52921 1 155 . 1 . 1 99 99 VAL H H 1 9.2271 0.05 . 1 . . . . . 323 VAL H . 52921 1 156 . 1 . 1 99 99 VAL N N 15 128.61 0.05 . 1 . . . . . 323 VAL N . 52921 1 157 . 1 . 1 100 100 SER H H 1 8.3980 0.05 . 1 . . . . . 324 SER H . 52921 1 158 . 1 . 1 100 100 SER N N 15 118.66 0.05 . 1 . . . . . 324 SER N . 52921 1 159 . 1 . 1 101 101 ASN H H 1 8.1796 0.05 . 1 . . . . . 325 ASN H . 52921 1 160 . 1 . 1 101 101 ASN N N 15 121.09 0.05 . 1 . . . . . 325 ASN N . 52921 1 161 . 1 . 1 103 103 ALA H H 1 7.8380 0.05 . 1 . . . . . 327 ALA H . 52921 1 162 . 1 . 1 103 103 ALA N N 15 118.91 0.05 . 1 . . . . . 327 ALA N . 52921 1 163 . 1 . 1 104 104 LEU H H 1 7.6888 0.05 . 1 . . . . . 328 LEU H . 52921 1 164 . 1 . 1 104 104 LEU N N 15 118.58 0.05 . 1 . . . . . 328 LEU N . 52921 1 165 . 1 . 1 106 106 ALA H H 1 7.3155 0.05 . 1 . . . . . 330 ALA H . 52921 1 166 . 1 . 1 106 106 ALA N N 15 118.43 0.05 . 1 . . . . . 330 ALA N . 52921 1 167 . 1 . 1 108 108 ILE H H 1 8.3526 0.05 . 1 . . . . . 332 ILE H . 52921 1 168 . 1 . 1 108 108 ILE N N 15 121.68 0.05 . 1 . . . . . 332 ILE N . 52921 1 169 . 1 . 1 110 110 LYS H H 1 8.7108 0.05 . 1 . . . . . 334 LYS H . 52921 1 170 . 1 . 1 110 110 LYS N N 15 121.95 0.05 . 1 . . . . . 334 LYS N . 52921 1 171 . 1 . 1 111 111 THR H H 1 8.2842 0.05 . 1 . . . . . 335 THR H . 52921 1 172 . 1 . 1 111 111 THR N N 15 113.12 0.05 . 1 . . . . . 335 THR N . 52921 1 173 . 1 . 1 112 112 ILE H H 1 9.4039 0.05 . 1 . . . . . 336 ILE H . 52921 1 174 . 1 . 1 112 112 ILE N N 15 121.60 0.05 . 1 . . . . . 336 ILE N . 52921 1 175 . 1 . 1 113 113 SER H H 1 7.7184 0.05 . 1 . . . . . 337 SER H . 52921 1 176 . 1 . 1 113 113 SER N N 15 115.04 0.05 . 1 . . . . . 337 SER N . 52921 1 177 . 1 . 1 114 114 LYS H H 1 8.7310 0.05 . 1 . . . . . 338 LYS H . 52921 1 178 . 1 . 1 114 114 LYS N N 15 124.80 0.05 . 1 . . . . . 338 LYS N . 52921 1 179 . 1 . 1 115 115 ALA H H 1 8.6661 0.05 . 1 . . . . . 339 ALA H . 52921 1 180 . 1 . 1 115 115 ALA N N 15 129.05 0.05 . 1 . . . . . 339 ALA N . 52921 1 181 . 1 . 1 116 116 LYS H H 1 8.4040 0.05 . 1 . . . . . 340 LYS H . 52921 1 182 . 1 . 1 116 116 LYS N N 15 120.92 0.05 . 1 . . . . . 340 LYS N . 52921 1 183 . 1 . 1 117 117 GLY H H 1 8.5144 0.05 . 1 . . . . . 341 GLY H . 52921 1 184 . 1 . 1 117 117 GLY N N 15 111.25 0.05 . 1 . . . . . 341 GLY N . 52921 1 185 . 1 . 1 118 118 GLN H H 1 8.1773 0.05 . 1 . . . . . 342 GLN H . 52921 1 186 . 1 . 1 118 118 GLN N N 15 122.40 0.05 . 1 . . . . . 342 GLN N . 52921 1 187 . 1 . 1 120 120 ARG H H 1 9.4602 0.05 . 1 . . . . . 344 ARG H . 52921 1 188 . 1 . 1 120 120 ARG N N 15 122.43 0.05 . 1 . . . . . 344 ARG N . 52921 1 189 . 1 . 1 121 121 GLU H H 1 8.6641 0.05 . 1 . . . . . 345 GLU H . 52921 1 190 . 1 . 1 121 121 GLU N N 15 124.11 0.05 . 1 . . . . . 345 GLU N . 52921 1 191 . 1 . 1 123 123 GLN H H 1 7.9036 0.05 . 1 . . . . . 347 GLN H . 52921 1 192 . 1 . 1 123 123 GLN N N 15 122.37 0.05 . 1 . . . . . 347 GLN N . 52921 1 193 . 1 . 1 124 124 VAL H H 1 7.8426 0.05 . 1 . . . . . 348 VAL H . 52921 1 194 . 1 . 1 124 124 VAL N N 15 122.38 0.05 . 1 . . . . . 348 VAL N . 52921 1 195 . 1 . 1 125 125 TYR H H 1 9.3851 0.05 . 1 . . . . . 349 TYR H . 52921 1 196 . 1 . 1 125 125 TYR N N 15 124.94 0.05 . 1 . . . . . 349 TYR N . 52921 1 197 . 1 . 1 126 126 THR H H 1 8.6807 0.05 . 1 . . . . . 350 THR H . 52921 1 198 . 1 . 1 126 126 THR N N 15 112.29 0.05 . 1 . . . . . 350 THR N . 52921 1 199 . 1 . 1 127 127 LEU H H 1 9.4889 0.05 . 1 . . . . . 351 LEU H . 52921 1 200 . 1 . 1 127 127 LEU N N 15 124.42 0.05 . 1 . . . . . 351 LEU N . 52921 1 201 . 1 . 1 130 130 SER H H 1 8.9427 0.05 . 1 . . . . . 354 SER H . 52921 1 202 . 1 . 1 130 130 SER N N 15 117.63 0.05 . 1 . . . . . 354 SER N . 52921 1 203 . 1 . 1 131 131 ARG H H 1 9.0551 0.05 . 1 . . . . . 355 ARG H . 52921 1 204 . 1 . 1 131 131 ARG N N 15 128.27 0.05 . 1 . . . . . 355 ARG N . 52921 1 205 . 1 . 1 132 132 ASP H H 1 8.3911 0.05 . 1 . . . . . 356 ASP H . 52921 1 206 . 1 . 1 132 132 ASP N N 15 117.67 0.05 . 1 . . . . . 356 ASP N . 52921 1 207 . 1 . 1 134 134 LEU H H 1 7.2403 0.05 . 1 . . . . . 358 LEU H . 52921 1 208 . 1 . 1 134 134 LEU N N 15 114.39 0.05 . 1 . . . . . 358 LEU N . 52921 1 209 . 1 . 1 135 135 THR H H 1 7.0499 0.05 . 1 . . . . . 359 THR H . 52921 1 210 . 1 . 1 135 135 THR N N 15 106.89 0.05 . 1 . . . . . 359 THR N . 52921 1 211 . 1 . 1 136 136 LYS H H 1 7.9351 0.05 . 1 . . . . . 360 LYS H . 52921 1 212 . 1 . 1 136 136 LYS N N 15 122.39 0.05 . 1 . . . . . 360 LYS N . 52921 1 213 . 1 . 1 138 138 GLN H H 1 7.4773 0.05 . 1 . . . . . 362 GLN H . 52921 1 214 . 1 . 1 138 138 GLN N N 15 118.22 0.05 . 1 . . . . . 362 GLN N . 52921 1 215 . 1 . 1 139 139 VAL H H 1 8.7045 0.05 . 1 . . . . . 363 VAL H . 52921 1 216 . 1 . 1 139 139 VAL N N 15 111.01 0.05 . 1 . . . . . 363 VAL N . 52921 1 217 . 1 . 1 140 140 SER H H 1 8.8902 0.05 . 1 . . . . . 364 SER H . 52921 1 218 . 1 . 1 140 140 SER N N 15 114.95 0.05 . 1 . . . . . 364 SER N . 52921 1 219 . 1 . 1 141 141 LEU H H 1 9.3273 0.05 . 1 . . . . . 365 LEU H . 52921 1 220 . 1 . 1 141 141 LEU N N 15 128.83 0.05 . 1 . . . . . 365 LEU N . 52921 1 221 . 1 . 1 142 142 THR H H 1 7.9727 0.05 . 1 . . . . . 366 THR H . 52921 1 222 . 1 . 1 142 142 THR N N 15 117.91 0.05 . 1 . . . . . 366 THR N . 52921 1 223 . 1 . 1 143 143 CYS H H 1 9.7992 0.05 . 1 . . . . . 367 CYS H . 52921 1 224 . 1 . 1 143 143 CYS N N 15 128.85 0.05 . 1 . . . . . 367 CYS N . 52921 1 225 . 1 . 1 144 144 LEU H H 1 9.4776 0.05 . 1 . . . . . 368 LEU H . 52921 1 226 . 1 . 1 144 144 LEU N N 15 131.42 0.05 . 1 . . . . . 368 LEU N . 52921 1 227 . 1 . 1 145 145 VAL H H 1 8.3149 0.05 . 1 . . . . . 369 VAL H . 52921 1 228 . 1 . 1 145 145 VAL N N 15 127.20 0.05 . 1 . . . . . 369 VAL N . 52921 1 229 . 1 . 1 146 146 LYS H H 1 9.3460 0.05 . 1 . . . . . 370 LYS H . 52921 1 230 . 1 . 1 146 146 LYS N N 15 122.64 0.05 . 1 . . . . . 370 LYS N . 52921 1 231 . 1 . 1 147 147 GLY H H 1 8.3455 0.05 . 1 . . . . . 371 GLY H . 52921 1 232 . 1 . 1 147 147 GLY N N 15 111.11 0.05 . 1 . . . . . 371 GLY N . 52921 1 233 . 1 . 1 148 148 PHE H H 1 7.8099 0.05 . 1 . . . . . 372 PHE H . 52921 1 234 . 1 . 1 148 148 PHE N N 15 111.43 0.05 . 1 . . . . . 372 PHE N . 52921 1 235 . 1 . 1 149 149 TYR H H 1 8.3622 0.05 . 1 . . . . . 373 TYR H . 52921 1 236 . 1 . 1 149 149 TYR N N 15 119.93 0.05 . 1 . . . . . 373 TYR N . 52921 1 237 . 1 . 1 151 151 SER H H 1 8.3152 0.05 . 1 . . . . . 375 SER H . 52921 1 238 . 1 . 1 151 151 SER N N 15 112.04 0.05 . 1 . . . . . 375 SER N . 52921 1 239 . 1 . 1 152 152 ASP H H 1 6.7951 0.05 . 1 . . . . . 376 ASP H . 52921 1 240 . 1 . 1 152 152 ASP N N 15 120.66 0.05 . 1 . . . . . 376 ASP N . 52921 1 241 . 1 . 1 153 153 ILE H H 1 7.9967 0.05 . 1 . . . . . 377 ILE H . 52921 1 242 . 1 . 1 153 153 ILE N N 15 124.02 0.05 . 1 . . . . . 377 ILE N . 52921 1 243 . 1 . 1 154 154 ALA H H 1 8.1804 0.05 . 1 . . . . . 378 ALA H . 52921 1 244 . 1 . 1 154 154 ALA N N 15 126.46 0.05 . 1 . . . . . 378 ALA N . 52921 1 245 . 1 . 1 156 156 GLU H H 1 8.9182 0.05 . 1 . . . . . 380 GLU H . 52921 1 246 . 1 . 1 156 156 GLU N N 15 125.85 0.05 . 1 . . . . . 380 GLU N . 52921 1 247 . 1 . 1 157 157 TRP H H 1 6.1843 0.05 . 1 . . . . . 381 TRP H . 52921 1 248 . 1 . 1 157 157 TRP N N 15 114.86 0.05 . 1 . . . . . 381 TRP N . 52921 1 249 . 1 . 1 158 158 GLU H H 1 9.1438 0.05 . 1 . . . . . 382 GLU H . 52921 1 250 . 1 . 1 158 158 GLU N N 15 118.50 0.05 . 1 . . . . . 382 GLU N . 52921 1 251 . 1 . 1 159 159 SER H H 1 8.9823 0.05 . 1 . . . . . 383 SER H . 52921 1 252 . 1 . 1 159 159 SER N N 15 113.13 0.05 . 1 . . . . . 383 SER N . 52921 1 253 . 1 . 1 160 160 ASN H H 1 9.4637 0.05 . 1 . . . . . 384 ASN H . 52921 1 254 . 1 . 1 160 160 ASN N N 15 126.54 0.05 . 1 . . . . . 384 ASN N . 52921 1 255 . 1 . 1 161 161 GLY H H 1 8.7678 0.05 . 1 . . . . . 385 GLY H . 52921 1 256 . 1 . 1 161 161 GLY N N 15 103.82 0.05 . 1 . . . . . 385 GLY N . 52921 1 257 . 1 . 1 162 162 GLN H H 1 7.9835 0.05 . 1 . . . . . 386 GLN H . 52921 1 258 . 1 . 1 162 162 GLN N N 15 119.93 0.05 . 1 . . . . . 386 GLN N . 52921 1 259 . 1 . 1 163 163 ASN H H 1 8.4664 0.05 . 1 . . . . . 387 ASN H . 52921 1 260 . 1 . 1 163 163 ASN N N 15 115.76 0.05 . 1 . . . . . 387 ASN N . 52921 1 261 . 1 . 1 167 167 TYR H H 1 7.5936 0.05 . 1 . . . . . 391 TYR H . 52921 1 262 . 1 . 1 167 167 TYR N N 15 115.45 0.05 . 1 . . . . . 391 TYR N . 52921 1 263 . 1 . 1 168 168 LYS H H 1 8.5287 0.05 . 1 . . . . . 392 LYS H . 52921 1 264 . 1 . 1 168 168 LYS N N 15 119.44 0.05 . 1 . . . . . 392 LYS N . 52921 1 265 . 1 . 1 169 169 THR H H 1 9.1272 0.05 . 1 . . . . . 393 THR H . 52921 1 266 . 1 . 1 169 169 THR N N 15 121.18 0.05 . 1 . . . . . 393 THR N . 52921 1 267 . 1 . 1 170 170 THR H H 1 9.6122 0.05 . 1 . . . . . 394 THR H . 52921 1 268 . 1 . 1 170 170 THR N N 15 118.29 0.05 . 1 . . . . . 394 THR N . 52921 1 269 . 1 . 1 173 173 VAL H H 1 9.3004 0.05 . 1 . . . . . 397 VAL H . 52921 1 270 . 1 . 1 173 173 VAL N N 15 126.45 0.05 . 1 . . . . . 397 VAL N . 52921 1 271 . 1 . 1 174 174 LEU H H 1 8.3905 0.05 . 1 . . . . . 398 LEU H . 52921 1 272 . 1 . 1 174 174 LEU N N 15 128.03 0.05 . 1 . . . . . 398 LEU N . 52921 1 273 . 1 . 1 175 175 ASP H H 1 9.6119 0.05 . 1 . . . . . 399 ASP H . 52921 1 274 . 1 . 1 175 175 ASP N N 15 128.91 0.05 . 1 . . . . . 399 ASP N . 52921 1 275 . 1 . 1 176 176 SER H H 1 9.8540 0.05 . 1 . . . . . 400 SER H . 52921 1 276 . 1 . 1 176 176 SER N N 15 116.38 0.05 . 1 . . . . . 400 SER N . 52921 1 277 . 1 . 1 177 177 ASP H H 1 7.6487 0.05 . 1 . . . . . 401 ASP H . 52921 1 278 . 1 . 1 177 177 ASP N N 15 117.68 0.05 . 1 . . . . . 401 ASP N . 52921 1 279 . 1 . 1 178 178 GLY H H 1 7.7346 0.05 . 1 . . . . . 402 GLY H . 52921 1 280 . 1 . 1 178 178 GLY N N 15 107.73 0.05 . 1 . . . . . 402 GLY N . 52921 1 281 . 1 . 1 179 179 SER H H 1 7.5885 0.05 . 1 . . . . . 403 SER H . 52921 1 282 . 1 . 1 179 179 SER N N 15 114.99 0.05 . 1 . . . . . 403 SER N . 52921 1 283 . 1 . 1 180 180 PHE H H 1 8.7434 0.05 . 1 . . . . . 404 PHE H . 52921 1 284 . 1 . 1 180 180 PHE N N 15 115.67 0.05 . 1 . . . . . 404 PHE N . 52921 1 285 . 1 . 1 181 181 PHE H H 1 8.7704 0.05 . 1 . . . . . 405 PHE H . 52921 1 286 . 1 . 1 181 181 PHE N N 15 111.78 0.05 . 1 . . . . . 405 PHE N . 52921 1 287 . 1 . 1 182 182 LEU H H 1 9.6147 0.05 . 1 . . . . . 406 LEU H . 52921 1 288 . 1 . 1 182 182 LEU N N 15 114.86 0.05 . 1 . . . . . 406 LEU N . 52921 1 289 . 1 . 1 183 183 TYR H H 1 8.1513 0.05 . 1 . . . . . 407 TYR H . 52921 1 290 . 1 . 1 183 183 TYR N N 15 115.83 0.05 . 1 . . . . . 407 TYR N . 52921 1 291 . 1 . 1 184 184 SER H H 1 9.4027 0.05 . 1 . . . . . 408 SER H . 52921 1 292 . 1 . 1 184 184 SER N N 15 114.56 0.05 . 1 . . . . . 408 SER N . 52921 1 293 . 1 . 1 185 185 LYS H H 1 9.6031 0.05 . 1 . . . . . 409 LYS H . 52921 1 294 . 1 . 1 185 185 LYS N N 15 131.37 0.05 . 1 . . . . . 409 LYS N . 52921 1 295 . 1 . 1 186 186 LEU H H 1 9.3302 0.05 . 1 . . . . . 410 LEU H . 52921 1 296 . 1 . 1 186 186 LEU N N 15 134.47 0.05 . 1 . . . . . 410 LEU N . 52921 1 297 . 1 . 1 188 188 VAL H H 1 8.5073 0.05 . 1 . . . . . 412 VAL H . 52921 1 298 . 1 . 1 188 188 VAL N N 15 119.72 0.05 . 1 . . . . . 412 VAL N . 52921 1 299 . 1 . 1 190 190 LYS H H 1 8.7812 0.05 . 1 . . . . . 414 LYS H . 52921 1 300 . 1 . 1 190 190 LYS N N 15 126.99 0.05 . 1 . . . . . 414 LYS N . 52921 1 301 . 1 . 1 191 191 SER H H 1 8.8702 0.05 . 1 . . . . . 415 SER H . 52921 1 302 . 1 . 1 191 191 SER N N 15 113.57 0.05 . 1 . . . . . 415 SER N . 52921 1 303 . 1 . 1 192 192 ARG H H 1 7.5006 0.05 . 1 . . . . . 416 ARG H . 52921 1 304 . 1 . 1 192 192 ARG N N 15 120.28 0.05 . 1 . . . . . 416 ARG N . 52921 1 305 . 1 . 1 193 193 TRP H H 1 7.5563 0.05 . 1 . . . . . 417 TRP H . 52921 1 306 . 1 . 1 193 193 TRP N N 15 119.58 0.05 . 1 . . . . . 417 TRP N . 52921 1 307 . 1 . 1 194 194 GLN H H 1 8.6034 0.05 . 1 . . . . . 418 GLN H . 52921 1 308 . 1 . 1 194 194 GLN N N 15 115.44 0.05 . 1 . . . . . 418 GLN N . 52921 1 309 . 1 . 1 195 195 GLN H H 1 7.7722 0.05 . 1 . . . . . 419 GLN H . 52921 1 310 . 1 . 1 195 195 GLN N N 15 115.88 0.05 . 1 . . . . . 419 GLN N . 52921 1 311 . 1 . 1 196 196 GLY H H 1 7.6425 0.05 . 1 . . . . . 420 GLY H . 52921 1 312 . 1 . 1 196 196 GLY N N 15 105.26 0.05 . 1 . . . . . 420 GLY N . 52921 1 313 . 1 . 1 197 197 ASN H H 1 6.9274 0.05 . 1 . . . . . 421 ASN H . 52921 1 314 . 1 . 1 197 197 ASN N N 15 116.24 0.05 . 1 . . . . . 421 ASN N . 52921 1 315 . 1 . 1 198 198 VAL H H 1 8.3677 0.05 . 1 . . . . . 422 VAL H . 52921 1 316 . 1 . 1 198 198 VAL N N 15 121.26 0.05 . 1 . . . . . 422 VAL N . 52921 1 317 . 1 . 1 199 199 PHE H H 1 9.1602 0.05 . 1 . . . . . 423 PHE H . 52921 1 318 . 1 . 1 199 199 PHE N N 15 128.64 0.05 . 1 . . . . . 423 PHE N . 52921 1 319 . 1 . 1 200 200 SER H H 1 9.5912 0.05 . 1 . . . . . 424 SER H . 52921 1 320 . 1 . 1 200 200 SER N N 15 115.43 0.05 . 1 . . . . . 424 SER N . 52921 1 321 . 1 . 1 201 201 CYS H H 1 8.6791 0.05 . 1 . . . . . 425 CYS H . 52921 1 322 . 1 . 1 201 201 CYS N N 15 126.58 0.05 . 1 . . . . . 425 CYS N . 52921 1 323 . 1 . 1 202 202 SER H H 1 8.8863 0.05 . 1 . . . . . 426 SER H . 52921 1 324 . 1 . 1 202 202 SER N N 15 123.90 0.05 . 1 . . . . . 426 SER N . 52921 1 325 . 1 . 1 203 203 VAL H H 1 8.5468 0.05 . 1 . . . . . 427 VAL H . 52921 1 326 . 1 . 1 203 203 VAL N N 15 124.02 0.05 . 1 . . . . . 427 VAL N . 52921 1 327 . 1 . 1 204 204 MET H H 1 8.8101 0.05 . 1 . . . . . 428 MET H . 52921 1 328 . 1 . 1 204 204 MET N N 15 123.50 0.05 . 1 . . . . . 428 MET N . 52921 1 329 . 1 . 1 205 205 HIS H H 1 7.1824 0.05 . 1 . . . . . 429 HIS H . 52921 1 330 . 1 . 1 205 205 HIS N N 15 120.23 0.05 . 1 . . . . . 429 HIS N . 52921 1 331 . 1 . 1 206 206 GLU H H 1 8.7699 0.05 . 1 . . . . . 430 GLU H . 52921 1 332 . 1 . 1 206 206 GLU N N 15 126.13 0.05 . 1 . . . . . 430 GLU N . 52921 1 333 . 1 . 1 207 207 ALA H H 1 10.552 0.05 . 1 . . . . . 431 ALA H . 52921 1 334 . 1 . 1 207 207 ALA N N 15 124.40 0.05 . 1 . . . . . 431 ALA N . 52921 1 335 . 1 . 1 208 208 LEU H H 1 7.2893 0.05 . 1 . . . . . 432 LEU H . 52921 1 336 . 1 . 1 208 208 LEU N N 15 116.71 0.05 . 1 . . . . . 432 LEU N . 52921 1 337 . 1 . 1 209 209 HIS H H 1 8.0333 0.05 . 1 . . . . . 433 HIS H . 52921 1 338 . 1 . 1 209 209 HIS N N 15 121.08 0.05 . 1 . . . . . 433 HIS N . 52921 1 339 . 1 . 1 211 211 HIS H H 1 8.5552 0.05 . 1 . . . . . 435 HIS H . 52921 1 340 . 1 . 1 211 211 HIS N N 15 108.83 0.05 . 1 . . . . . 435 HIS N . 52921 1 341 . 1 . 1 212 212 TYR H H 1 7.4151 0.05 . 1 . . . . . 436 TYR H . 52921 1 342 . 1 . 1 212 212 TYR N N 15 118.70 0.05 . 1 . . . . . 436 TYR N . 52921 1 343 . 1 . 1 213 213 THR H H 1 8.4495 0.05 . 1 . . . . . 437 THR H . 52921 1 344 . 1 . 1 213 213 THR N N 15 120.98 0.05 . 1 . . . . . 437 THR N . 52921 1 345 . 1 . 1 214 214 GLN H H 1 7.7450 0.05 . 1 . . . . . 438 GLN H . 52921 1 346 . 1 . 1 214 214 GLN N N 15 120.02 0.05 . 1 . . . . . 438 GLN N . 52921 1 347 . 1 . 1 215 215 LYS H H 1 8.5598 0.05 . 1 . . . . . 439 LYS H . 52921 1 348 . 1 . 1 215 215 LYS N N 15 123.47 0.05 . 1 . . . . . 439 LYS N . 52921 1 349 . 1 . 1 216 216 SER H H 1 8.7076 0.05 . 1 . . . . . 440 SER H . 52921 1 350 . 1 . 1 216 216 SER N N 15 118.84 0.05 . 1 . . . . . 440 SER N . 52921 1 351 . 1 . 1 217 217 LEU H H 1 9.5676 0.05 . 1 . . . . . 441 LEU H . 52921 1 352 . 1 . 1 217 217 LEU N N 15 124.41 0.05 . 1 . . . . . 441 LEU N . 52921 1 353 . 1 . 1 218 218 SER H H 1 8.3650 0.05 . 1 . . . . . 442 SER H . 52921 1 354 . 1 . 1 218 218 SER N N 15 115.96 0.05 . 1 . . . . . 442 SER N . 52921 1 355 . 1 . 1 219 219 LEU H H 1 8.7095 0.05 . 1 . . . . . 443 LEU H . 52921 1 356 . 1 . 1 219 219 LEU N N 15 124.47 0.05 . 1 . . . . . 443 LEU N . 52921 1 357 . 1 . 1 220 220 SER H H 1 8.2522 0.05 . 1 . . . . . 444 SER H . 52921 1 358 . 1 . 1 220 220 SER N N 15 119.80 0.05 . 1 . . . . . 444 SER N . 52921 1 359 . 1 . 1 222 222 GLY H H 1 7.9618 0.05 . 1 . . . . . 446 GLY H . 52921 1 360 . 1 . 1 222 222 GLY N N 15 115.30 0.05 . 1 . . . . . 446 GLY N . 52921 1 361 . 1 . 1 224 224 GN1 H1 H 1 4.977 0.05 . 1 . . . . . 447 GN1 H1 . 52921 1 362 . 1 . 1 224 224 GN1 H3 H 1 3.8857 0.05 . 1 . . . . . 447 GN1 H3 . 52921 1 363 . 1 . 1 224 224 GN1 H4 H 1 3.721 0.05 . 1 . . . . . 447 GN1 H4 . 52921 1 364 . 1 . 1 224 224 GN1 H8 H 1 2.0613 0.05 . 1 . . . . . 447 GN1 H8 . 52921 1 365 . 1 . 1 224 224 GN1 C1 C 13 79.044 0.05 . 1 . . . . . 447 GN1 C1 . 52921 1 366 . 1 . 1 224 224 GN1 C3 C 13 72.110 0.05 . 1 . . . . . 447 GN1 C3 . 52921 1 367 . 1 . 1 224 224 GN1 C4 C 13 82.53 0.05 . 1 . . . . . 447 GN1 C4 . 52921 1 368 . 1 . 1 224 224 GN1 C7 C 13 175.59 0.05 . 1 . . . . . 447 GN1 C7 . 52921 1 369 . 1 . 1 224 224 GN1 C8 C 13 22.187 0.05 . 1 . . . . . 447 GN1 C8 . 52921 1 370 . 1 . 1 225 225 GN2 H1 H 1 4.671 0.05 . 1 . . . . . 448 GN2 H1 . 52921 1 371 . 1 . 1 225 225 GN2 H4 H 1 2.966 0.05 . 1 . . . . . 448 GN2 H4 . 52921 1 372 . 1 . 1 225 225 GN2 H8 H 1 2.1619 0.05 . 1 . . . . . 448 GN2 H8 . 52921 1 373 . 1 . 1 225 225 GN2 C1 C 13 103.24 0.05 . 1 . . . . . 448 GN2 C1 . 52921 1 374 . 1 . 1 225 225 GN2 C4 C 13 83.31 0.05 . 1 . . . . . 448 GN2 C4 . 52921 1 375 . 1 . 1 225 225 GN2 C7 C 13 174.45 0.05 . 1 . . . . . 448 GN2 C7 . 52921 1 376 . 1 . 1 225 225 GN2 C8 C 13 22.764 0.05 . 1 . . . . . 448 GN2 C8 . 52921 1 377 . 1 . 1 225 225 GN2 N N 15 122.28 0.05 . 1 . . . . . 448 GN2 N . 52921 1 378 . 1 . 1 225 225 GN2 NH N 15 8.1106 0.05 . 1 . . . . . 448 GN2 NH . 52921 1 379 . 1 . 1 226 226 M3 H1 H 1 3.2942 0.05 . 1 . . . . . 449 M3 H1 . 52921 1 380 . 1 . 1 226 226 M3 H3 H 1 3.5337 0.05 . 1 . . . . . 449 M3 H3 . 52921 1 381 . 1 . 1 226 226 M3 H4 H 1 3.7146 0.05 . 1 . . . . . 449 M3 H4 . 52921 1 382 . 1 . 1 226 226 M3 H5 H 1 3.2013 0.05 . 1 . . . . . 449 M3 H5 . 52921 1 383 . 1 . 1 226 226 M3 C1 C 13 100.82 0.05 . 1 . . . . . 449 M3 C1 . 52921 1 384 . 1 . 1 226 226 M3 C3 C 13 80.313 0.05 . 1 . . . . . 449 M3 C3 . 52921 1 385 . 1 . 1 226 226 M3 C4 C 13 66.250 0.05 . 1 . . . . . 449 M3 C4 . 52921 1 386 . 1 . 1 226 226 M3 C5 C 13 75.430 0.05 . 1 . . . . . 449 M3 C5 . 52921 1 387 . 1 . 1 227 227 M4 H1 H 1 5.4061 0.05 . 1 . . . . . 450 M4 H1 . 52921 1 388 . 1 . 1 227 227 M4 H2 H 1 4.3941 0.05 . 1 . . . . . 450 M4 H2 . 52921 1 389 . 1 . 1 227 227 M4 H3 H 1 4.0666 0.05 . 1 . . . . . 450 M4 H3 . 52921 1 390 . 1 . 1 227 227 M4 H4 H 1 3.8515 0.05 . 1 . . . . . 450 M4 H4 . 52921 1 391 . 1 . 1 227 227 M4 H5 H 1 3.9835 0.05 . 1 . . . . . 450 M4 H5 . 52921 1 392 . 1 . 1 227 227 M4 C1 C 13 101.01 0.05 . 1 . . . . . 450 M4 C1 . 52921 1 393 . 1 . 1 227 227 M4 C2 C 13 78.458 0.05 . 1 . . . . . 450 M4 C2 . 52921 1 394 . 1 . 1 227 227 M4 C3 C 13 68.398 0.05 . 1 . . . . . 450 M4 C3 . 52921 1 395 . 1 . 1 227 227 M4 C4 C 13 67.52 0.05 . 1 . . . . . 450 M4 C4 . 52921 1 396 . 1 . 1 227 227 M4 C5 C 13 73.868 0.05 . 1 . . . . . 450 M4 C5 . 52921 1 397 . 1 . 1 228 228 GN5 H1 H 1 4.8781 0.05 . 1 . . . . . 451 GN5 H1 . 52921 1 398 . 1 . 1 228 228 GN5 H5 H 1 3.7146 0.05 . 1 . . . . . 451 GN5 H5 . 52921 1 399 . 1 . 1 228 228 GN5 H8 H 1 2.2062 0.05 . 1 . . . . . 451 GN5 H8 . 52921 1 400 . 1 . 1 228 228 GN5 C1 C 13 101.21 0.05 . 1 . . . . . 451 GN5 C1 . 52921 1 401 . 1 . 1 228 228 GN5 C5 C 13 76.407 0.05 . 1 . . . . . 451 GN5 C5 . 52921 1 402 . 1 . 1 228 228 GN5 C7 C 13 175.03 0.05 . 1 . . . . . 451 GN5 C7 . 52921 1 403 . 1 . 1 228 228 GN5 C8 C 13 23.156 0.05 . 1 . . . . . 451 GN5 C8 . 52921 1 404 . 1 . 1 228 228 GN5 N N 15 121.90 0.05 . 1 . . . . . 451 GN5 N . 52921 1 405 . 1 . 1 228 228 GN5 NH N 15 8.3206 0.05 . 1 . . . . . 451 GN5 NH . 52921 1 406 . 1 . 1 229 229 M4 H1 H 1 4.7999 0.05 . 1 . . . . . 453 M4 H1 . 52921 1 407 . 1 . 1 229 229 M4 H2 H 1 3.5777 0.05 . 1 . . . . . 453 M4 H2 . 52921 1 408 . 1 . 1 229 229 M4 H4 H 1 3.4751 0.05 . 1 . . . . . 453 M4 H4 . 52921 1 409 . 1 . 1 229 229 M4 H5 H 1 3.6022 0.05 . 1 . . . . . 453 M4 H5 . 52921 1 410 . 1 . 1 229 229 M4 C1 C 13 98.088 0.05 . 1 . . . . . 453 M4 C1 . 52921 1 411 . 1 . 1 229 229 M4 C2 C 13 76.114 0.05 . 1 . . . . . 453 M4 C2 . 52921 1 412 . 1 . 1 229 229 M4 C4 C 13 68.106 0.05 . 1 . . . . . 453 M4 C4 . 52921 1 413 . 1 . 1 229 229 M4 C5 C 13 72.891 0.05 . 1 . . . . . 453 M4 C5 . 52921 1 414 . 1 . 1 230 230 GN5 H1 H 1 3.225 0.05 . 1 . . . . . 454 GN5 H1 . 52921 1 415 . 1 . 1 230 230 GN5 H3 H 1 3.2942 0.05 . 1 . . . . . 454 GN5 H3 . 52921 1 416 . 1 . 1 230 230 GN5 H4 H 1 3.4751 0.05 . 1 . . . . . 454 GN5 H4 . 52921 1 417 . 1 . 1 230 230 GN5 H5 H 1 2.188 0.05 . 1 . . . . . 454 GN5 H5 . 52921 1 418 . 1 . 1 230 230 GN5 H8 H 1 2.1452 0.05 . 1 . . . . . 454 GN5 H8 . 52921 1 419 . 1 . 1 230 230 GN5 C1 C 13 100.69 0.05 . 1 . . . . . 454 GN5 C1 . 52921 1 420 . 1 . 1 230 230 GN5 C3 C 13 72.891 0.05 . 1 . . . . . 454 GN5 C3 . 52921 1 421 . 1 . 1 230 230 GN5 C4 C 13 68.106 0.05 . 1 . . . . . 454 GN5 C4 . 52921 1 422 . 1 . 1 230 230 GN5 C5 C 13 75.47 0.05 . 1 . . . . . 454 GN5 C5 . 52921 1 423 . 1 . 1 230 230 GN5 C7 C 13 175.04 0.05 . 1 . . . . . 454 GN5 C7 . 52921 1 424 . 1 . 1 230 230 GN5 C8 C 13 22.656 0.05 . 1 . . . . . 454 GN5 C8 . 52921 1 425 . 1 . 1 230 230 GN5 N N 15 121.03 0.05 . 1 . . . . . 454 GN5 N . 52921 1 426 . 1 . 1 230 230 GN5 NH N 15 8.0206 0.05 . 1 . . . . . 454 GN5 NH . 52921 1 stop_ save_