data_27446 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27446 _Entry.Title ; Assignment of the apo-form of the human C-terminal domain of UDP-Glucuronsyltransferase A1 (UGT1A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-10 _Entry.Accession_date 2018-04-10 _Entry.Last_release_date 2018-04-11 _Entry.Original_release_date 2018-04-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.Generated_software_label . _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 Michael Osborne . J. . . 27446 2 Luciana 'Coutinho de Oliveira' . . . . 27446 3 Laurent Volpon . . . . 27446 4 Katherine Borden . LB . . 27446 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Borden laboratory; University of Montreal' . 27446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 27446 '15N chemical shifts' 157 27446 '1H chemical shifts' 157 27446 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 . . 2019-02-19 2018-04-10 update BMRB 'update entry citation' 27446 1 . . 2018-08-15 2018-04-10 original author 'original release' 27446 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27446 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29934866 _Citation.Full_citation . _Citation.Title ; Backbone assignment of the apo-form of the human C-terminal domain of UDP-glucuronosyltransferase 1A (UGT1A) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 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 315 _Citation.Page_last 318 _Citation.Year 2018 _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 Michael Osborne . J. . . 27446 1 2 Luciana 'Coutinho de Oliveira' . . . . 27446 1 3 Laurent Volpon . . . . 27446 1 4 Katherine Borden . LB . . 27446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27446 _Assembly.ID 1 _Assembly.Name 'Ct of UGT1A4 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20085.05 _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 'Ct of UGT1A4 monomer' 1 $C-terminus_of_UGT1A4 A . yes native no no . . . 27446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-terminus_of_UGT1A4 _Entity.Sf_category entity _Entity.Sf_framecode C-terminus_of_UGT1A4 _Entity.Entry_ID 27446 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-terminus_of_UGT1A4 _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 ; MDIGINSDPGKPLSQEFEAY INASGEHGIVVFSLGSMVSE IPEKKAMAIADALGKIPQTV LWRYTGTRPSNLANNTILVK WLPQNDLLGHPMTRAFITHA GSHGVYESICNGVPMVMMPL FGDQMDNAKRMETKGAGVTL NVLEMTSEDLENALKAVIND KSYKENIMRLSSLHKDENLY FQ ; _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 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The actual sequence of the protein (i.e. native residues) is from Gly 284 to Asp 450. The residues 275-283 and 451 - 456 are cloning artefacts. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_009051 . 'UDP-glucuronosyltransferase 1-4 precursor' . . . . . . . . . . . . . . 27446 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytosolic glycosyltransferase' 27446 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 275 MET . 27446 1 2 276 ASP . 27446 1 3 277 ILE . 27446 1 4 278 GLY . 27446 1 5 279 ILE . 27446 1 6 280 ASN . 27446 1 7 281 SER . 27446 1 8 282 ASP . 27446 1 9 283 PRO . 27446 1 10 284 GLY . 27446 1 11 285 LYS . 27446 1 12 286 PRO . 27446 1 13 287 LEU . 27446 1 14 288 SER . 27446 1 15 289 GLN . 27446 1 16 290 GLU . 27446 1 17 291 PHE . 27446 1 18 292 GLU . 27446 1 19 293 ALA . 27446 1 20 294 TYR . 27446 1 21 295 ILE . 27446 1 22 296 ASN . 27446 1 23 297 ALA . 27446 1 24 298 SER . 27446 1 25 299 GLY . 27446 1 26 300 GLU . 27446 1 27 301 HIS . 27446 1 28 302 GLY . 27446 1 29 303 ILE . 27446 1 30 304 VAL . 27446 1 31 305 VAL . 27446 1 32 306 PHE . 27446 1 33 307 SER . 27446 1 34 308 LEU . 27446 1 35 309 GLY . 27446 1 36 310 SER . 27446 1 37 311 MET . 27446 1 38 312 VAL . 27446 1 39 313 SER . 27446 1 40 314 GLU . 27446 1 41 315 ILE . 27446 1 42 316 PRO . 27446 1 43 317 GLU . 27446 1 44 318 LYS . 27446 1 45 319 LYS . 27446 1 46 320 ALA . 27446 1 47 321 MET . 27446 1 48 322 ALA . 27446 1 49 323 ILE . 27446 1 50 324 ALA . 27446 1 51 325 ASP . 27446 1 52 326 ALA . 27446 1 53 327 LEU . 27446 1 54 328 GLY . 27446 1 55 329 LYS . 27446 1 56 330 ILE . 27446 1 57 331 PRO . 27446 1 58 332 GLN . 27446 1 59 333 THR . 27446 1 60 334 VAL . 27446 1 61 335 LEU . 27446 1 62 336 TRP . 27446 1 63 337 ARG . 27446 1 64 338 TYR . 27446 1 65 339 THR . 27446 1 66 340 GLY . 27446 1 67 341 THR . 27446 1 68 342 ARG . 27446 1 69 343 PRO . 27446 1 70 344 SER . 27446 1 71 345 ASN . 27446 1 72 346 LEU . 27446 1 73 347 ALA . 27446 1 74 348 ASN . 27446 1 75 349 ASN . 27446 1 76 350 THR . 27446 1 77 351 ILE . 27446 1 78 352 LEU . 27446 1 79 353 VAL . 27446 1 80 354 LYS . 27446 1 81 355 TRP . 27446 1 82 356 LEU . 27446 1 83 357 PRO . 27446 1 84 358 GLN . 27446 1 85 359 ASN . 27446 1 86 360 ASP . 27446 1 87 361 LEU . 27446 1 88 362 LEU . 27446 1 89 363 GLY . 27446 1 90 364 HIS . 27446 1 91 365 PRO . 27446 1 92 366 MET . 27446 1 93 367 THR . 27446 1 94 368 ARG . 27446 1 95 369 ALA . 27446 1 96 370 PHE . 27446 1 97 371 ILE . 27446 1 98 372 THR . 27446 1 99 373 HIS . 27446 1 100 374 ALA . 27446 1 101 375 GLY . 27446 1 102 376 SER . 27446 1 103 377 HIS . 27446 1 104 378 GLY . 27446 1 105 379 VAL . 27446 1 106 380 TYR . 27446 1 107 381 GLU . 27446 1 108 382 SER . 27446 1 109 383 ILE . 27446 1 110 384 CYS . 27446 1 111 385 ASN . 27446 1 112 386 GLY . 27446 1 113 387 VAL . 27446 1 114 388 PRO . 27446 1 115 389 MET . 27446 1 116 390 VAL . 27446 1 117 391 MET . 27446 1 118 392 MET . 27446 1 119 393 PRO . 27446 1 120 394 LEU . 27446 1 121 395 PHE . 27446 1 122 396 GLY . 27446 1 123 397 ASP . 27446 1 124 398 GLN . 27446 1 125 399 MET . 27446 1 126 400 ASP . 27446 1 127 401 ASN . 27446 1 128 402 ALA . 27446 1 129 403 LYS . 27446 1 130 404 ARG . 27446 1 131 405 MET . 27446 1 132 406 GLU . 27446 1 133 407 THR . 27446 1 134 408 LYS . 27446 1 135 409 GLY . 27446 1 136 410 ALA . 27446 1 137 411 GLY . 27446 1 138 412 VAL . 27446 1 139 413 THR . 27446 1 140 414 LEU . 27446 1 141 415 ASN . 27446 1 142 416 VAL . 27446 1 143 417 LEU . 27446 1 144 418 GLU . 27446 1 145 419 MET . 27446 1 146 420 THR . 27446 1 147 421 SER . 27446 1 148 422 GLU . 27446 1 149 423 ASP . 27446 1 150 424 LEU . 27446 1 151 425 GLU . 27446 1 152 426 ASN . 27446 1 153 427 ALA . 27446 1 154 428 LEU . 27446 1 155 429 LYS . 27446 1 156 430 ALA . 27446 1 157 431 VAL . 27446 1 158 432 ILE . 27446 1 159 433 ASN . 27446 1 160 434 ASP . 27446 1 161 435 LYS . 27446 1 162 436 SER . 27446 1 163 437 TYR . 27446 1 164 438 LYS . 27446 1 165 439 GLU . 27446 1 166 440 ASN . 27446 1 167 441 ILE . 27446 1 168 442 MET . 27446 1 169 443 ARG . 27446 1 170 444 LEU . 27446 1 171 445 SER . 27446 1 172 446 SER . 27446 1 173 447 LEU . 27446 1 174 448 HIS . 27446 1 175 449 LYS . 27446 1 176 450 ASP . 27446 1 177 451 GLU . 27446 1 178 452 ASN . 27446 1 179 453 LEU . 27446 1 180 454 TYR . 27446 1 181 455 PHE . 27446 1 182 456 GLN . 27446 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 . MET 1 1 27446 1 . ASP 2 2 27446 1 . ILE 3 3 27446 1 . GLY 4 4 27446 1 . ILE 5 5 27446 1 . ASN 6 6 27446 1 . SER 7 7 27446 1 . ASP 8 8 27446 1 . PRO 9 9 27446 1 . GLY 10 10 27446 1 . LYS 11 11 27446 1 . PRO 12 12 27446 1 . LEU 13 13 27446 1 . SER 14 14 27446 1 . GLN 15 15 27446 1 . GLU 16 16 27446 1 . PHE 17 17 27446 1 . GLU 18 18 27446 1 . ALA 19 19 27446 1 . TYR 20 20 27446 1 . ILE 21 21 27446 1 . ASN 22 22 27446 1 . ALA 23 23 27446 1 . SER 24 24 27446 1 . GLY 25 25 27446 1 . GLU 26 26 27446 1 . HIS 27 27 27446 1 . GLY 28 28 27446 1 . ILE 29 29 27446 1 . VAL 30 30 27446 1 . VAL 31 31 27446 1 . PHE 32 32 27446 1 . SER 33 33 27446 1 . LEU 34 34 27446 1 . GLY 35 35 27446 1 . SER 36 36 27446 1 . MET 37 37 27446 1 . VAL 38 38 27446 1 . SER 39 39 27446 1 . GLU 40 40 27446 1 . ILE 41 41 27446 1 . PRO 42 42 27446 1 . GLU 43 43 27446 1 . LYS 44 44 27446 1 . LYS 45 45 27446 1 . ALA 46 46 27446 1 . MET 47 47 27446 1 . ALA 48 48 27446 1 . ILE 49 49 27446 1 . ALA 50 50 27446 1 . ASP 51 51 27446 1 . ALA 52 52 27446 1 . LEU 53 53 27446 1 . GLY 54 54 27446 1 . LYS 55 55 27446 1 . ILE 56 56 27446 1 . PRO 57 57 27446 1 . GLN 58 58 27446 1 . THR 59 59 27446 1 . VAL 60 60 27446 1 . LEU 61 61 27446 1 . TRP 62 62 27446 1 . ARG 63 63 27446 1 . TYR 64 64 27446 1 . THR 65 65 27446 1 . GLY 66 66 27446 1 . THR 67 67 27446 1 . ARG 68 68 27446 1 . PRO 69 69 27446 1 . SER 70 70 27446 1 . ASN 71 71 27446 1 . LEU 72 72 27446 1 . ALA 73 73 27446 1 . ASN 74 74 27446 1 . ASN 75 75 27446 1 . THR 76 76 27446 1 . ILE 77 77 27446 1 . LEU 78 78 27446 1 . VAL 79 79 27446 1 . LYS 80 80 27446 1 . TRP 81 81 27446 1 . LEU 82 82 27446 1 . PRO 83 83 27446 1 . GLN 84 84 27446 1 . ASN 85 85 27446 1 . ASP 86 86 27446 1 . LEU 87 87 27446 1 . LEU 88 88 27446 1 . GLY 89 89 27446 1 . HIS 90 90 27446 1 . PRO 91 91 27446 1 . MET 92 92 27446 1 . THR 93 93 27446 1 . ARG 94 94 27446 1 . ALA 95 95 27446 1 . PHE 96 96 27446 1 . ILE 97 97 27446 1 . THR 98 98 27446 1 . HIS 99 99 27446 1 . ALA 100 100 27446 1 . GLY 101 101 27446 1 . SER 102 102 27446 1 . HIS 103 103 27446 1 . GLY 104 104 27446 1 . VAL 105 105 27446 1 . TYR 106 106 27446 1 . GLU 107 107 27446 1 . SER 108 108 27446 1 . ILE 109 109 27446 1 . CYS 110 110 27446 1 . ASN 111 111 27446 1 . GLY 112 112 27446 1 . VAL 113 113 27446 1 . PRO 114 114 27446 1 . MET 115 115 27446 1 . VAL 116 116 27446 1 . MET 117 117 27446 1 . MET 118 118 27446 1 . PRO 119 119 27446 1 . LEU 120 120 27446 1 . PHE 121 121 27446 1 . GLY 122 122 27446 1 . ASP 123 123 27446 1 . GLN 124 124 27446 1 . MET 125 125 27446 1 . ASP 126 126 27446 1 . ASN 127 127 27446 1 . ALA 128 128 27446 1 . LYS 129 129 27446 1 . ARG 130 130 27446 1 . MET 131 131 27446 1 . GLU 132 132 27446 1 . THR 133 133 27446 1 . LYS 134 134 27446 1 . GLY 135 135 27446 1 . ALA 136 136 27446 1 . GLY 137 137 27446 1 . VAL 138 138 27446 1 . THR 139 139 27446 1 . LEU 140 140 27446 1 . ASN 141 141 27446 1 . VAL 142 142 27446 1 . LEU 143 143 27446 1 . GLU 144 144 27446 1 . MET 145 145 27446 1 . THR 146 146 27446 1 . SER 147 147 27446 1 . GLU 148 148 27446 1 . ASP 149 149 27446 1 . LEU 150 150 27446 1 . GLU 151 151 27446 1 . ASN 152 152 27446 1 . ALA 153 153 27446 1 . LEU 154 154 27446 1 . LYS 155 155 27446 1 . ALA 156 156 27446 1 . VAL 157 157 27446 1 . ILE 158 158 27446 1 . ASN 159 159 27446 1 . ASP 160 160 27446 1 . LYS 161 161 27446 1 . SER 162 162 27446 1 . TYR 163 163 27446 1 . LYS 164 164 27446 1 . GLU 165 165 27446 1 . ASN 166 166 27446 1 . ILE 167 167 27446 1 . MET 168 168 27446 1 . ARG 169 169 27446 1 . LEU 170 170 27446 1 . SER 171 171 27446 1 . SER 172 172 27446 1 . LEU 173 173 27446 1 . HIS 174 174 27446 1 . LYS 175 175 27446 1 . ASP 176 176 27446 1 . GLU 177 177 27446 1 . ASN 178 178 27446 1 . LEU 179 179 27446 1 . TYR 180 180 27446 1 . PHE 181 181 27446 1 . GLN 182 182 27446 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27446 _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 $C-terminus_of_UGT1A4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27446 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27446 _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 $C-terminus_of_UGT1A4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) CodonPlus-RIPL . . . . pET-26b . . . 27446 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27446 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'C-terminus of UGT1A4' '[U-100% 13C; U-100% 15N]' . . 1 $C-terminus_of_UGT1A4 . . 250 . . uM . . . . 27446 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27446 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27446 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27446 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27446 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27446 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'C-terminus of UGT1A4' '[U-13C; U-15N; U-2H]' . . 1 $C-terminus_of_UGT1A4 . . 250 . . uM . . . . 27446 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27446 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27446 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27446 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27446 2 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 27446 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM phosphate buffer; 300mM NaCl.' 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 7.2 . pH 27446 1 pressure 1 . atm 27446 1 temperature 293 . K 27446 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27446 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27446 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27446 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27446 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27446 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27446 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details COLDPROBE _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27446 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 COLDPROBE . . 27446 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27446 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27446 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27446 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27446 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27446 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27446 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27446 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 '3D HNCO' . . . 27446 1 3 '3D HNCACB' . . . 27446 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ASP C C 13 175.949 0.2 . 1 . . . . . 276 D C . 27446 1 2 . 1 1 2 2 ASP CA C 13 54.688 0.2 . 1 . . . . . 276 D CA . 27446 1 3 . 1 1 2 2 ASP CB C 13 41.662 0.2 . 1 . . . . . 276 D CB . 27446 1 4 . 1 1 3 3 ILE H H 1 8.298 0.015 . 1 . . . . . 277 I H . 27446 1 5 . 1 1 3 3 ILE C C 13 176.768 0.2 . 1 . . . . . 277 I C . 27446 1 6 . 1 1 3 3 ILE CA C 13 61.751 0.2 . 1 . . . . . 277 I CA . 27446 1 7 . 1 1 3 3 ILE CB C 13 38.594 0.2 . 1 . . . . . 277 I CB . 27446 1 8 . 1 1 3 3 ILE N N 15 121.129 0.15 . 1 . . . . . 277 I N . 27446 1 9 . 1 1 4 4 GLY H H 1 8.508 0.015 . 1 . . . . . 278 G H . 27446 1 10 . 1 1 4 4 GLY C C 13 174.180 0.2 . 1 . . . . . 278 G C . 27446 1 11 . 1 1 4 4 GLY CA C 13 45.775 0.2 . 1 . . . . . 278 G CA . 27446 1 12 . 1 1 4 4 GLY N N 15 112.294 0.15 . 1 . . . . . 278 G N . 27446 1 13 . 1 1 5 5 ILE H H 1 7.963 0.015 . 1 . . . . . 279 I H . 27446 1 14 . 1 1 5 5 ILE C C 13 176.123 0.2 . 1 . . . . . 279 I C . 27446 1 15 . 1 1 5 5 ILE CA C 13 61.603 0.2 . 1 . . . . . 279 I CA . 27446 1 16 . 1 1 5 5 ILE CB C 13 38.596 0.2 . 1 . . . . . 279 I CB . 27446 1 17 . 1 1 5 5 ILE N N 15 119.646 0.15 . 1 . . . . . 279 I N . 27446 1 18 . 1 1 6 6 ASN H H 1 8.551 0.015 . 1 . . . . . 280 N H . 27446 1 19 . 1 1 6 6 ASN CA C 13 53.717 0.2 . 1 . . . . . 280 N CA . 27446 1 20 . 1 1 6 6 ASN CB C 13 39.183 0.2 . 1 . . . . . 280 N CB . 27446 1 21 . 1 1 6 6 ASN N N 15 122.216 0.15 . 1 . . . . . 280 N N . 27446 1 22 . 1 1 7 7 SER H H 1 8.272 0.015 . 1 . . . . . 281 S H . 27446 1 23 . 1 1 7 7 SER C C 13 173.802 0.2 . 1 . . . . . 281 S C . 27446 1 24 . 1 1 7 7 SER CA C 13 58.558 0.2 . 1 . . . . . 281 S CA . 27446 1 25 . 1 1 7 7 SER CB C 13 63.960 0.2 . 1 . . . . . 281 S CB . 27446 1 26 . 1 1 7 7 SER N N 15 116.551 0.15 . 1 . . . . . 281 S N . 27446 1 27 . 1 1 8 8 ASP H H 1 8.428 0.015 . 1 . . . . . 282 D H . 27446 1 28 . 1 1 8 8 ASP C C 13 174.653 0.2 . 1 . . . . . 282 D C . 27446 1 29 . 1 1 8 8 ASP CA C 13 52.801 0.2 . 1 . . . . . 282 D CA . 27446 1 30 . 1 1 8 8 ASP CB C 13 41.581 0.2 . 1 . . . . . 282 D CB . 27446 1 31 . 1 1 8 8 ASP N N 15 123.524 0.15 . 1 . . . . . 282 D N . 27446 1 32 . 1 1 9 9 PRO C C 13 177.576 0.2 . 1 . . . . . 283 P C . 27446 1 33 . 1 1 9 9 PRO CA C 13 64.102 0.2 . 1 . . . . . 283 P CA . 27446 1 34 . 1 1 9 9 PRO CB C 13 32.193 0.2 . 1 . . . . . 283 P CB . 27446 1 35 . 1 1 10 10 GLY H H 1 8.510 0.015 . 1 . . . . . 284 G H . 27446 1 36 . 1 1 10 10 GLY C C 13 173.765 0.2 . 1 . . . . . 284 G C . 27446 1 37 . 1 1 10 10 GLY CA C 13 45.473 0.2 . 1 . . . . . 284 G CA . 27446 1 38 . 1 1 10 10 GLY N N 15 108.620 0.15 . 1 . . . . . 284 G N . 27446 1 39 . 1 1 11 11 LYS H H 1 8.156 0.015 . 1 . . . . . 285 K H . 27446 1 40 . 1 1 11 11 LYS C C 13 174.436 0.2 . 1 . . . . . 285 K C . 27446 1 41 . 1 1 11 11 LYS CA C 13 54.421 0.2 . 1 . . . . . 285 K CA . 27446 1 42 . 1 1 11 11 LYS CB C 13 32.627 0.2 . 1 . . . . . 285 K CB . 27446 1 43 . 1 1 11 11 LYS N N 15 122.304 0.15 . 1 . . . . . 285 K N . 27446 1 44 . 1 1 12 12 PRO C C 13 177.305 0.2 . 1 . . . . . 286 P C . 27446 1 45 . 1 1 12 12 PRO CA C 13 63.540 0.2 . 1 . . . . . 286 P CA . 27446 1 46 . 1 1 12 12 PRO CB C 13 32.234 0.2 . 1 . . . . . 286 P CB . 27446 1 47 . 1 1 13 13 LEU H H 1 8.463 0.015 . 1 . . . . . 287 L H . 27446 1 48 . 1 1 13 13 LEU CA C 13 55.040 0.2 . 1 . . . . . 287 L CA . 27446 1 49 . 1 1 13 13 LEU CB C 13 43.144 0.2 . 1 . . . . . 287 L CB . 27446 1 50 . 1 1 13 13 LEU N N 15 121.812 0.15 . 1 . . . . . 287 L N . 27446 1 51 . 1 1 14 14 SER H H 1 8.911 0.015 . 1 . . . . . 288 S H . 27446 1 52 . 1 1 14 14 SER C C 13 175.322 0.2 . 1 . . . . . 288 S C . 27446 1 53 . 1 1 14 14 SER CA C 13 58.528 0.2 . 1 . . . . . 288 S CA . 27446 1 54 . 1 1 14 14 SER CB C 13 64.744 0.2 . 1 . . . . . 288 S CB . 27446 1 55 . 1 1 14 14 SER N N 15 117.730 0.15 . 1 . . . . . 288 S N . 27446 1 56 . 1 1 15 15 GLN H H 1 8.925 0.015 . 1 . . . . . 289 Q H . 27446 1 57 . 1 1 15 15 GLN C C 13 178.105 0.2 . 1 . . . . . 289 Q C . 27446 1 58 . 1 1 15 15 GLN CA C 13 59.422 0.2 . 1 . . . . . 289 Q CA . 27446 1 59 . 1 1 15 15 GLN CB C 13 28.300 0.2 . 1 . . . . . 289 Q CB . 27446 1 60 . 1 1 15 15 GLN N N 15 121.734 0.15 . 1 . . . . . 289 Q N . 27446 1 61 . 1 1 16 16 GLU H H 1 8.554 0.015 . 1 . . . . . 290 E H . 27446 1 62 . 1 1 16 16 GLU C C 13 177.352 0.2 . 1 . . . . . 290 E C . 27446 1 63 . 1 1 16 16 GLU CA C 13 59.146 0.2 . 1 . . . . . 290 E CA . 27446 1 64 . 1 1 16 16 GLU CB C 13 28.978 0.2 . 1 . . . . . 290 E CB . 27446 1 65 . 1 1 16 16 GLU N N 15 119.441 0.15 . 1 . . . . . 290 E N . 27446 1 66 . 1 1 17 17 PHE H H 1 7.200 0.015 . 1 . . . . . 291 F H . 27446 1 67 . 1 1 17 17 PHE C C 13 178.032 0.2 . 1 . . . . . 291 F C . 27446 1 68 . 1 1 17 17 PHE CA C 13 62.331 0.2 . 1 . . . . . 291 F CA . 27446 1 69 . 1 1 17 17 PHE CB C 13 39.629 0.2 . 1 . . . . . 291 F CB . 27446 1 70 . 1 1 17 17 PHE N N 15 114.913 0.15 . 1 . . . . . 291 F N . 27446 1 71 . 1 1 18 18 GLU H H 1 8.437 0.015 . 1 . . . . . 292 E H . 27446 1 72 . 1 1 18 18 GLU C C 13 178.660 0.2 . 1 . . . . . 292 E C . 27446 1 73 . 1 1 18 18 GLU CA C 13 60.081 0.2 . 1 . . . . . 292 E CA . 27446 1 74 . 1 1 18 18 GLU CB C 13 29.535 0.2 . 1 . . . . . 292 E CB . 27446 1 75 . 1 1 18 18 GLU N N 15 120.003 0.15 . 1 . . . . . 292 E N . 27446 1 76 . 1 1 19 19 ALA H H 1 7.873 0.015 . 1 . . . . . 293 A H . 27446 1 77 . 1 1 19 19 ALA C C 13 181.539 0.2 . 1 . . . . . 293 A C . 27446 1 78 . 1 1 19 19 ALA CA C 13 55.577 0.2 . 1 . . . . . 293 A CA . 27446 1 79 . 1 1 19 19 ALA CB C 13 17.431 0.2 . 1 . . . . . 293 A CB . 27446 1 80 . 1 1 19 19 ALA N N 15 120.147 0.15 . 1 . . . . . 293 A N . 27446 1 81 . 1 1 20 20 TYR H H 1 7.291 0.015 . 1 . . . . . 294 Y H . 27446 1 82 . 1 1 20 20 TYR C C 13 178.971 0.2 . 1 . . . . . 294 Y C . 27446 1 83 . 1 1 20 20 TYR CA C 13 59.233 0.2 . 1 . . . . . 294 Y CA . 27446 1 84 . 1 1 20 20 TYR CB C 13 37.798 0.2 . 1 . . . . . 294 Y CB . 27446 1 85 . 1 1 20 20 TYR N N 15 117.645 0.15 . 1 . . . . . 294 Y N . 27446 1 86 . 1 1 21 21 ILE H H 1 7.920 0.015 . 1 . . . . . 295 I H . 27446 1 87 . 1 1 21 21 ILE C C 13 181.106 0.2 . 1 . . . . . 295 I C . 27446 1 88 . 1 1 21 21 ILE CA C 13 65.771 0.2 . 1 . . . . . 295 I CA . 27446 1 89 . 1 1 21 21 ILE CB C 13 37.813 0.2 . 1 . . . . . 295 I CB . 27446 1 90 . 1 1 21 21 ILE N N 15 117.944 0.15 . 1 . . . . . 295 I N . 27446 1 91 . 1 1 22 22 ASN H H 1 9.050 0.015 . 1 . . . . . 296 N H . 27446 1 92 . 1 1 22 22 ASN C C 13 175.280 0.2 . 1 . . . . . 296 N C . 27446 1 93 . 1 1 22 22 ASN CA C 13 56.919 0.2 . 1 . . . . . 296 N CA . 27446 1 94 . 1 1 22 22 ASN CB C 13 38.373 0.2 . 1 . . . . . 296 N CB . 27446 1 95 . 1 1 22 22 ASN N N 15 123.002 0.15 . 1 . . . . . 296 N N . 27446 1 96 . 1 1 23 23 ALA H H 1 8.004 0.015 . 1 . . . . . 297 A H . 27446 1 97 . 1 1 23 23 ALA C C 13 178.254 0.2 . 1 . . . . . 297 A C . 27446 1 98 . 1 1 23 23 ALA CA C 13 54.284 0.2 . 1 . . . . . 297 A CA . 27446 1 99 . 1 1 23 23 ALA CB C 13 18.001 0.2 . 1 . . . . . 297 A CB . 27446 1 100 . 1 1 23 23 ALA N N 15 121.083 0.15 . 1 . . . . . 297 A N . 27446 1 101 . 1 1 24 24 SER H H 1 7.711 0.015 . 1 . . . . . 298 S H . 27446 1 102 . 1 1 24 24 SER C C 13 174.656 0.2 . 1 . . . . . 298 S C . 27446 1 103 . 1 1 24 24 SER CA C 13 60.442 0.2 . 1 . . . . . 298 S CA . 27446 1 104 . 1 1 24 24 SER CB C 13 64.992 0.2 . 1 . . . . . 298 S CB . 27446 1 105 . 1 1 24 24 SER N N 15 115.689 0.15 . 1 . . . . . 298 S N . 27446 1 106 . 1 1 25 25 GLY H H 1 7.535 0.015 . 1 . . . . . 299 G H . 27446 1 107 . 1 1 25 25 GLY C C 13 174.938 0.2 . 1 . . . . . 299 G C . 27446 1 108 . 1 1 25 25 GLY CA C 13 47.011 0.2 . 1 . . . . . 299 G CA . 27446 1 109 . 1 1 25 25 GLY N N 15 109.121 0.15 . 1 . . . . . 299 G N . 27446 1 110 . 1 1 26 26 GLU H H 1 9.004 0.015 . 1 . . . . . 300 E H . 27446 1 111 . 1 1 26 26 GLU C C 13 177.219 0.2 . 1 . . . . . 300 E C . 27446 1 112 . 1 1 26 26 GLU CA C 13 57.028 0.2 . 1 . . . . . 300 E CA . 27446 1 113 . 1 1 26 26 GLU CB C 13 29.377 0.2 . 1 . . . . . 300 E CB . 27446 1 114 . 1 1 26 26 GLU N N 15 122.390 0.15 . 1 . . . . . 300 E N . 27446 1 115 . 1 1 27 27 HIS H H 1 7.979 0.015 . 1 . . . . . 301 H H . 27446 1 116 . 1 1 27 27 HIS C C 13 178.781 0.2 . 1 . . . . . 301 H C . 27446 1 117 . 1 1 27 27 HIS CA C 13 58.515 0.2 . 1 . . . . . 301 H CA . 27446 1 118 . 1 1 27 27 HIS CB C 13 31.219 0.2 . 1 . . . . . 301 H CB . 27446 1 119 . 1 1 27 27 HIS N N 15 118.400 0.15 . 1 . . . . . 301 H N . 27446 1 120 . 1 1 28 28 GLY H H 1 7.043 0.015 . 1 . . . . . 302 G H . 27446 1 121 . 1 1 28 28 GLY C C 13 173.296 0.2 . 1 . . . . . 302 G C . 27446 1 122 . 1 1 28 28 GLY CA C 13 46.205 0.2 . 1 . . . . . 302 G CA . 27446 1 123 . 1 1 28 28 GLY N N 15 105.693 0.15 . 1 . . . . . 302 G N . 27446 1 124 . 1 1 29 29 ILE H H 1 8.171 0.015 . 1 . . . . . 303 I H . 27446 1 125 . 1 1 29 29 ILE C C 13 175.763 0.2 . 1 . . . . . 303 I C . 27446 1 126 . 1 1 29 29 ILE CA C 13 58.885 0.2 . 1 . . . . . 303 I CA . 27446 1 127 . 1 1 29 29 ILE CB C 13 43.127 0.2 . 1 . . . . . 303 I CB . 27446 1 128 . 1 1 29 29 ILE N N 15 108.120 0.15 . 1 . . . . . 303 I N . 27446 1 129 . 1 1 30 30 VAL H H 1 8.861 0.015 . 1 . . . . . 304 V H . 27446 1 130 . 1 1 30 30 VAL C C 13 174.270 0.2 . 1 . . . . . 304 V C . 27446 1 131 . 1 1 30 30 VAL CA C 13 60.910 0.2 . 1 . . . . . 304 V CA . 27446 1 132 . 1 1 30 30 VAL CB C 13 35.613 0.2 . 1 . . . . . 304 V CB . 27446 1 133 . 1 1 30 30 VAL N N 15 121.221 0.15 . 1 . . . . . 304 V N . 27446 1 134 . 1 1 31 31 VAL H H 1 7.995 0.015 . 1 . . . . . 305 V H . 27446 1 135 . 1 1 31 31 VAL C C 13 173.296 0.2 . 1 . . . . . 305 V C . 27446 1 136 . 1 1 31 31 VAL CA C 13 62.352 0.2 . 1 . . . . . 305 V CA . 27446 1 137 . 1 1 31 31 VAL CB C 13 33.500 0.2 . 1 . . . . . 305 V CB . 27446 1 138 . 1 1 31 31 VAL N N 15 125.749 0.15 . 1 . . . . . 305 V N . 27446 1 139 . 1 1 32 32 PHE H H 1 9.382 0.015 . 1 . . . . . 306 F H . 27446 1 140 . 1 1 32 32 PHE N N 15 130.338 0.15 . 1 . . . . . 306 F N . 27446 1 141 . 1 1 44 44 LYS H H 1 9.089 0.015 . 1 . . . . . 318 K H . 27446 1 142 . 1 1 44 44 LYS N N 15 116.492 0.15 . 1 . . . . . 318 K N . 27446 1 143 . 1 1 45 45 LYS H H 1 7.357 0.015 . 1 . . . . . 319 K H . 27446 1 144 . 1 1 45 45 LYS CA C 13 57.208 0.2 . 1 . . . . . 319 K CA . 27446 1 145 . 1 1 45 45 LYS N N 15 119.146 0.15 . 1 . . . . . 319 K N . 27446 1 146 . 1 1 46 46 ALA H H 1 8.580 0.015 . 1 . . . . . 320 A H . 27446 1 147 . 1 1 46 46 ALA C C 13 179.542 0.2 . 1 . . . . . 320 A C . 27446 1 148 . 1 1 46 46 ALA CA C 13 56.498 0.2 . 1 . . . . . 320 A CA . 27446 1 149 . 1 1 46 46 ALA CB C 13 17.390 0.2 . 1 . . . . . 320 A CB . 27446 1 150 . 1 1 46 46 ALA N N 15 123.130 0.15 . 1 . . . . . 320 A N . 27446 1 151 . 1 1 47 47 MET H H 1 8.207 0.015 . 1 . . . . . 321 M H . 27446 1 152 . 1 1 47 47 MET C C 13 179.135 0.2 . 1 . . . . . 321 M C . 27446 1 153 . 1 1 47 47 MET CA C 13 59.270 0.2 . 1 . . . . . 321 M CA . 27446 1 154 . 1 1 47 47 MET CB C 13 33.246 0.2 . 1 . . . . . 321 M CB . 27446 1 155 . 1 1 47 47 MET N N 15 114.711 0.15 . 1 . . . . . 321 M N . 27446 1 156 . 1 1 48 48 ALA H H 1 7.566 0.015 . 1 . . . . . 322 A H . 27446 1 157 . 1 1 48 48 ALA C C 13 179.770 0.2 . 1 . . . . . 322 A C . 27446 1 158 . 1 1 48 48 ALA CA C 13 55.524 0.2 . 1 . . . . . 322 A CA . 27446 1 159 . 1 1 48 48 ALA CB C 13 17.902 0.2 . 1 . . . . . 322 A CB . 27446 1 160 . 1 1 48 48 ALA N N 15 124.559 0.15 . 1 . . . . . 322 A N . 27446 1 161 . 1 1 49 49 ILE H H 1 8.067 0.015 . 1 . . . . . 323 I H . 27446 1 162 . 1 1 49 49 ILE C C 13 176.902 0.2 . 1 . . . . . 323 I C . 27446 1 163 . 1 1 49 49 ILE CA C 13 65.281 0.2 . 1 . . . . . 323 I CA . 27446 1 164 . 1 1 49 49 ILE CB C 13 37.707 0.2 . 1 . . . . . 323 I CB . 27446 1 165 . 1 1 49 49 ILE N N 15 117.430 0.15 . 1 . . . . . 323 I N . 27446 1 166 . 1 1 50 50 ALA H H 1 8.441 0.015 . 1 . . . . . 324 A H . 27446 1 167 . 1 1 50 50 ALA C C 13 180.558 0.2 . 1 . . . . . 324 A C . 27446 1 168 . 1 1 50 50 ALA CA C 13 55.530 0.2 . 1 . . . . . 324 A CA . 27446 1 169 . 1 1 50 50 ALA CB C 13 18.176 0.2 . 1 . . . . . 324 A CB . 27446 1 170 . 1 1 50 50 ALA N N 15 119.844 0.15 . 1 . . . . . 324 A N . 27446 1 171 . 1 1 51 51 ASP H H 1 7.999 0.015 . 1 . . . . . 325 D H . 27446 1 172 . 1 1 51 51 ASP C C 13 177.797 0.2 . 1 . . . . . 325 D C . 27446 1 173 . 1 1 51 51 ASP CA C 13 57.505 0.2 . 1 . . . . . 325 D CA . 27446 1 174 . 1 1 51 51 ASP CB C 13 42.512 0.2 . 1 . . . . . 325 D CB . 27446 1 175 . 1 1 51 51 ASP N N 15 117.068 0.15 . 1 . . . . . 325 D N . 27446 1 176 . 1 1 52 52 ALA H H 1 7.448 0.015 . 1 . . . . . 326 A H . 27446 1 177 . 1 1 52 52 ALA C C 13 180.110 0.2 . 1 . . . . . 326 A C . 27446 1 178 . 1 1 52 52 ALA CA C 13 55.692 0.2 . 1 . . . . . 326 A CA . 27446 1 179 . 1 1 52 52 ALA CB C 13 19.466 0.2 . 1 . . . . . 326 A CB . 27446 1 180 . 1 1 52 52 ALA N N 15 121.495 0.15 . 1 . . . . . 326 A N . 27446 1 181 . 1 1 53 53 LEU H H 1 8.145 0.015 . 1 . . . . . 327 L H . 27446 1 182 . 1 1 53 53 LEU C C 13 178.517 0.2 . 1 . . . . . 327 L C . 27446 1 183 . 1 1 53 53 LEU CA C 13 57.541 0.2 . 1 . . . . . 327 L CA . 27446 1 184 . 1 1 53 53 LEU CB C 13 41.149 0.2 . 1 . . . . . 327 L CB . 27446 1 185 . 1 1 53 53 LEU N N 15 112.989 0.15 . 1 . . . . . 327 L N . 27446 1 186 . 1 1 54 54 GLY H H 1 7.249 0.015 . 1 . . . . . 328 G H . 27446 1 187 . 1 1 54 54 GLY C C 13 175.315 0.2 . 1 . . . . . 328 G C . 27446 1 188 . 1 1 54 54 GLY CA C 13 46.294 0.2 . 1 . . . . . 328 G CA . 27446 1 189 . 1 1 54 54 GLY N N 15 106.186 0.15 . 1 . . . . . 328 G N . 27446 1 190 . 1 1 55 55 LYS H H 1 7.508 0.015 . 1 . . . . . 329 K H . 27446 1 191 . 1 1 55 55 LYS C C 13 176.046 0.2 . 1 . . . . . 329 K C . 27446 1 192 . 1 1 55 55 LYS CA C 13 56.286 0.2 . 1 . . . . . 329 K CA . 27446 1 193 . 1 1 55 55 LYS CB C 13 32.367 0.2 . 1 . . . . . 329 K CB . 27446 1 194 . 1 1 55 55 LYS N N 15 117.956 0.15 . 1 . . . . . 329 K N . 27446 1 195 . 1 1 56 56 ILE H H 1 7.001 0.015 . 1 . . . . . 330 I H . 27446 1 196 . 1 1 56 56 ILE C C 13 174.425 0.2 . 1 . . . . . 330 I C . 27446 1 197 . 1 1 56 56 ILE CA C 13 58.372 0.2 . 1 . . . . . 330 I CA . 27446 1 198 . 1 1 56 56 ILE CB C 13 37.619 0.2 . 1 . . . . . 330 I CB . 27446 1 199 . 1 1 56 56 ILE N N 15 111.629 0.15 . 1 . . . . . 330 I N . 27446 1 200 . 1 1 57 57 PRO C C 13 177.154 0.2 . 1 . . . . . 331 P C . 27446 1 201 . 1 1 57 57 PRO CA C 13 63.423 0.2 . 1 . . . . . 331 P CA . 27446 1 202 . 1 1 57 57 PRO CB C 13 30.550 0.2 . 1 . . . . . 331 P CB . 27446 1 203 . 1 1 58 58 GLN H H 1 6.753 0.015 . 1 . . . . . 332 Q H . 27446 1 204 . 1 1 58 58 GLN C C 13 174.373 0.2 . 1 . . . . . 332 Q C . 27446 1 205 . 1 1 58 58 GLN CA C 13 58.294 0.2 . 1 . . . . . 332 Q CA . 27446 1 206 . 1 1 58 58 GLN CB C 13 28.897 0.2 . 1 . . . . . 332 Q CB . 27446 1 207 . 1 1 58 58 GLN N N 15 117.906 0.15 . 1 . . . . . 332 Q N . 27446 1 208 . 1 1 59 59 THR H H 1 7.929 0.015 . 1 . . . . . 333 T H . 27446 1 209 . 1 1 59 59 THR C C 13 173.475 0.2 . 1 . . . . . 333 T C . 27446 1 210 . 1 1 59 59 THR CA C 13 63.386 0.2 . 1 . . . . . 333 T CA . 27446 1 211 . 1 1 59 59 THR CB C 13 70.816 0.2 . 1 . . . . . 333 T CB . 27446 1 212 . 1 1 59 59 THR N N 15 116.116 0.15 . 1 . . . . . 333 T N . 27446 1 213 . 1 1 60 60 VAL H H 1 9.241 0.015 . 1 . . . . . 334 V H . 27446 1 214 . 1 1 60 60 VAL C C 13 174.005 0.2 . 1 . . . . . 334 V C . 27446 1 215 . 1 1 60 60 VAL CA C 13 61.348 0.2 . 1 . . . . . 334 V CA . 27446 1 216 . 1 1 60 60 VAL CB C 13 32.711 0.2 . 1 . . . . . 334 V CB . 27446 1 217 . 1 1 60 60 VAL N N 15 128.392 0.15 . 1 . . . . . 334 V N . 27446 1 218 . 1 1 61 61 LEU H H 1 8.770 0.015 . 1 . . . . . 335 L H . 27446 1 219 . 1 1 61 61 LEU CA C 13 53.562 0.2 . 1 . . . . . 335 L CA . 27446 1 220 . 1 1 61 61 LEU CB C 13 42.010 0.2 . 1 . . . . . 335 L CB . 27446 1 221 . 1 1 61 61 LEU N N 15 127.096 0.15 . 1 . . . . . 335 L N . 27446 1 222 . 1 1 62 62 TRP H H 1 9.302 0.015 . 1 . . . . . 336 W H . 27446 1 223 . 1 1 62 62 TRP C C 13 174.474 0.2 . 1 . . . . . 336 W C . 27446 1 224 . 1 1 62 62 TRP CA C 13 52.966 0.2 . 1 . . . . . 336 W CA . 27446 1 225 . 1 1 62 62 TRP CB C 13 31.757 0.2 . 1 . . . . . 336 W CB . 27446 1 226 . 1 1 62 62 TRP N N 15 127.003 0.15 . 1 . . . . . 336 W N . 27446 1 227 . 1 1 63 63 ARG H H 1 8.751 0.015 . 1 . . . . . 337 R H . 27446 1 228 . 1 1 63 63 ARG C C 13 173.076 0.2 . 1 . . . . . 337 R C . 27446 1 229 . 1 1 63 63 ARG CA C 13 55.507 0.2 . 1 . . . . . 337 R CA . 27446 1 230 . 1 1 63 63 ARG CB C 13 28.654 0.2 . 1 . . . . . 337 R CB . 27446 1 231 . 1 1 63 63 ARG N N 15 127.308 0.15 . 1 . . . . . 337 R N . 27446 1 232 . 1 1 64 64 TYR H H 1 8.265 0.015 . 1 . . . . . 338 Y H . 27446 1 233 . 1 1 64 64 TYR C C 13 174.787 0.2 . 1 . . . . . 338 Y C . 27446 1 234 . 1 1 64 64 TYR CA C 13 58.300 0.2 . 1 . . . . . 338 Y CA . 27446 1 235 . 1 1 64 64 TYR CB C 13 40.512 0.2 . 1 . . . . . 338 Y CB . 27446 1 236 . 1 1 64 64 TYR N N 15 131.735 0.15 . 1 . . . . . 338 Y N . 27446 1 237 . 1 1 65 65 THR H H 1 8.096 0.015 . 1 . . . . . 339 T H . 27446 1 238 . 1 1 65 65 THR CA C 13 61.060 0.2 . 1 . . . . . 339 T CA . 27446 1 239 . 1 1 65 65 THR CB C 13 69.510 0.2 . 1 . . . . . 339 T CB . 27446 1 240 . 1 1 65 65 THR N N 15 116.027 0.15 . 1 . . . . . 339 T N . 27446 1 241 . 1 1 66 66 GLY C C 13 172.105 0.2 . 1 . . . . . 340 G C . 27446 1 242 . 1 1 66 66 GLY CA C 13 44.654 0.2 . 1 . . . . . 340 G CA . 27446 1 243 . 1 1 67 67 THR H H 1 8.523 0.015 . 1 . . . . . 341 T H . 27446 1 244 . 1 1 67 67 THR C C 13 175.191 0.2 . 1 . . . . . 341 T C . 27446 1 245 . 1 1 67 67 THR CA C 13 63.908 0.2 . 1 . . . . . 341 T CA . 27446 1 246 . 1 1 67 67 THR CB C 13 69.121 0.2 . 1 . . . . . 341 T CB . 27446 1 247 . 1 1 67 67 THR N N 15 115.833 0.15 . 1 . . . . . 341 T N . 27446 1 248 . 1 1 68 68 ARG H H 1 8.846 0.015 . 1 . . . . . 342 R H . 27446 1 249 . 1 1 68 68 ARG C C 13 174.137 0.2 . 1 . . . . . 342 R C . 27446 1 250 . 1 1 68 68 ARG CA C 13 55.093 0.2 . 1 . . . . . 342 R CA . 27446 1 251 . 1 1 68 68 ARG CB C 13 30.396 0.2 . 1 . . . . . 342 R CB . 27446 1 252 . 1 1 68 68 ARG N N 15 129.846 0.15 . 1 . . . . . 342 R N . 27446 1 253 . 1 1 69 69 PRO C C 13 178.393 0.2 . 1 . . . . . 343 P C . 27446 1 254 . 1 1 69 69 PRO CA C 13 63.161 0.2 . 1 . . . . . 343 P CA . 27446 1 255 . 1 1 69 69 PRO CB C 13 31.809 0.2 . 1 . . . . . 343 P CB . 27446 1 256 . 1 1 70 70 SER H H 1 9.279 0.015 . 1 . . . . . 344 S H . 27446 1 257 . 1 1 70 70 SER CA C 13 60.968 0.2 . 1 . . . . . 344 S CA . 27446 1 258 . 1 1 70 70 SER CB C 13 62.878 0.2 . 1 . . . . . 344 S CB . 27446 1 259 . 1 1 70 70 SER N N 15 119.837 0.15 . 1 . . . . . 344 S N . 27446 1 260 . 1 1 71 71 ASN H H 1 8.895 0.015 . 1 . . . . . 345 N H . 27446 1 261 . 1 1 71 71 ASN C C 13 174.396 0.2 . 1 . . . . . 345 N C . 27446 1 262 . 1 1 71 71 ASN CA C 13 52.576 0.2 . 1 . . . . . 345 N CA . 27446 1 263 . 1 1 71 71 ASN CB C 13 36.923 0.2 . 1 . . . . . 345 N CB . 27446 1 264 . 1 1 71 71 ASN N N 15 118.498 0.15 . 1 . . . . . 345 N N . 27446 1 265 . 1 1 72 72 LEU H H 1 6.899 0.015 . 1 . . . . . 346 L H . 27446 1 266 . 1 1 72 72 LEU C C 13 176.950 0.2 . 1 . . . . . 346 L C . 27446 1 267 . 1 1 72 72 LEU CA C 13 56.962 0.2 . 1 . . . . . 346 L CA . 27446 1 268 . 1 1 72 72 LEU CB C 13 42.635 0.2 . 1 . . . . . 346 L CB . 27446 1 269 . 1 1 72 72 LEU N N 15 119.970 0.15 . 1 . . . . . 346 L N . 27446 1 270 . 1 1 73 73 ALA H H 1 9.678 0.015 . 1 . . . . . 347 A H . 27446 1 271 . 1 1 73 73 ALA C C 13 179.045 0.2 . 1 . . . . . 347 A C . 27446 1 272 . 1 1 73 73 ALA CA C 13 51.965 0.2 . 1 . . . . . 347 A CA . 27446 1 273 . 1 1 73 73 ALA CB C 13 21.307 0.2 . 1 . . . . . 347 A CB . 27446 1 274 . 1 1 73 73 ALA N N 15 132.802 0.15 . 1 . . . . . 347 A N . 27446 1 275 . 1 1 74 74 ASN H H 1 8.703 0.015 . 1 . . . . . 348 N H . 27446 1 276 . 1 1 74 74 ASN C C 13 175.081 0.2 . 1 . . . . . 348 N C . 27446 1 277 . 1 1 74 74 ASN CA C 13 55.558 0.2 . 1 . . . . . 348 N CA . 27446 1 278 . 1 1 74 74 ASN CB C 13 38.389 0.2 . 1 . . . . . 348 N CB . 27446 1 279 . 1 1 74 74 ASN N N 15 116.097 0.15 . 1 . . . . . 348 N N . 27446 1 280 . 1 1 75 75 ASN H H 1 8.230 0.015 . 1 . . . . . 349 N H . 27446 1 281 . 1 1 75 75 ASN C C 13 174.026 0.2 . 1 . . . . . 349 N C . 27446 1 282 . 1 1 75 75 ASN CA C 13 54.063 0.2 . 1 . . . . . 349 N CA . 27446 1 283 . 1 1 75 75 ASN CB C 13 38.322 0.2 . 1 . . . . . 349 N CB . 27446 1 284 . 1 1 75 75 ASN N N 15 116.707 0.15 . 1 . . . . . 349 N N . 27446 1 285 . 1 1 76 76 THR H H 1 7.831 0.015 . 1 . . . . . 350 T H . 27446 1 286 . 1 1 76 76 THR C C 13 171.525 0.2 . 1 . . . . . 350 T C . 27446 1 287 . 1 1 76 76 THR CA C 13 63.154 0.2 . 1 . . . . . 350 T CA . 27446 1 288 . 1 1 76 76 THR CB C 13 69.530 0.2 . 1 . . . . . 350 T CB . 27446 1 289 . 1 1 76 76 THR N N 15 117.366 0.15 . 1 . . . . . 350 T N . 27446 1 290 . 1 1 77 77 ILE H H 1 9.349 0.015 . 1 . . . . . 351 I H . 27446 1 291 . 1 1 77 77 ILE C C 13 174.869 0.2 . 1 . . . . . 351 I C . 27446 1 292 . 1 1 77 77 ILE CA C 13 59.762 0.2 . 1 . . . . . 351 I CA . 27446 1 293 . 1 1 77 77 ILE CB C 13 38.810 0.2 . 1 . . . . . 351 I CB . 27446 1 294 . 1 1 77 77 ILE N N 15 128.698 0.15 . 1 . . . . . 351 I N . 27446 1 295 . 1 1 78 78 LEU H H 1 8.380 0.015 . 1 . . . . . 352 L H . 27446 1 296 . 1 1 78 78 LEU C C 13 177.626 0.2 . 1 . . . . . 352 L C . 27446 1 297 . 1 1 78 78 LEU CA C 13 54.203 0.2 . 1 . . . . . 352 L CA . 27446 1 298 . 1 1 78 78 LEU CB C 13 40.996 0.2 . 1 . . . . . 352 L CB . 27446 1 299 . 1 1 78 78 LEU N N 15 126.547 0.15 . 1 . . . . . 352 L N . 27446 1 300 . 1 1 79 79 VAL H H 1 8.717 0.015 . 1 . . . . . 353 V H . 27446 1 301 . 1 1 79 79 VAL C C 13 175.035 0.2 . 1 . . . . . 353 V C . 27446 1 302 . 1 1 79 79 VAL CA C 13 58.779 0.2 . 1 . . . . . 353 V CA . 27446 1 303 . 1 1 79 79 VAL CB C 13 35.212 0.2 . 1 . . . . . 353 V CB . 27446 1 304 . 1 1 79 79 VAL N N 15 116.956 0.15 . 1 . . . . . 353 V N . 27446 1 305 . 1 1 80 80 LYS H H 1 8.887 0.015 . 1 . . . . . 354 K H . 27446 1 306 . 1 1 80 80 LYS C C 13 176.368 0.2 . 1 . . . . . 354 K C . 27446 1 307 . 1 1 80 80 LYS CA C 13 57.595 0.2 . 1 . . . . . 354 K CA . 27446 1 308 . 1 1 80 80 LYS CB C 13 32.712 0.2 . 1 . . . . . 354 K CB . 27446 1 309 . 1 1 80 80 LYS N N 15 118.811 0.15 . 1 . . . . . 354 K N . 27446 1 310 . 1 1 81 81 TRP H H 1 7.688 0.015 . 1 . . . . . 355 W H . 27446 1 311 . 1 1 81 81 TRP C C 13 173.280 0.2 . 1 . . . . . 355 W C . 27446 1 312 . 1 1 81 81 TRP CA C 13 57.649 0.2 . 1 . . . . . 355 W CA . 27446 1 313 . 1 1 81 81 TRP CB C 13 31.394 0.2 . 1 . . . . . 355 W CB . 27446 1 314 . 1 1 81 81 TRP N N 15 117.265 0.15 . 1 . . . . . 355 W N . 27446 1 315 . 1 1 82 82 LEU H H 1 7.243 0.015 . 1 . . . . . 356 L H . 27446 1 316 . 1 1 82 82 LEU C C 13 173.302 0.2 . 1 . . . . . 356 L C . 27446 1 317 . 1 1 82 82 LEU CA C 13 52.692 0.2 . 1 . . . . . 356 L CA . 27446 1 318 . 1 1 82 82 LEU CB C 13 43.156 0.2 . 1 . . . . . 356 L CB . 27446 1 319 . 1 1 82 82 LEU N N 15 119.717 0.15 . 1 . . . . . 356 L N . 27446 1 320 . 1 1 83 83 PRO C C 13 174.768 0.2 . 1 . . . . . 357 P C . 27446 1 321 . 1 1 83 83 PRO CA C 13 61.468 0.2 . 1 . . . . . 357 P CA . 27446 1 322 . 1 1 83 83 PRO CB C 13 28.135 0.2 . 1 . . . . . 357 P CB . 27446 1 323 . 1 1 84 84 GLN H H 1 7.524 0.015 . 1 . . . . . 358 Q H . 27446 1 324 . 1 1 84 84 GLN C C 13 175.969 0.2 . 1 . . . . . 358 Q C . 27446 1 325 . 1 1 84 84 GLN CA C 13 62.018 0.2 . 1 . . . . . 358 Q CA . 27446 1 326 . 1 1 84 84 GLN CB C 13 31.057 0.2 . 1 . . . . . 358 Q CB . 27446 1 327 . 1 1 84 84 GLN N N 15 125.044 0.15 . 1 . . . . . 358 Q N . 27446 1 328 . 1 1 85 85 ASN H H 1 8.682 0.015 . 1 . . . . . 359 N H . 27446 1 329 . 1 1 85 85 ASN C C 13 177.849 0.2 . 1 . . . . . 359 N C . 27446 1 330 . 1 1 85 85 ASN CA C 13 57.633 0.2 . 1 . . . . . 359 N CA . 27446 1 331 . 1 1 85 85 ASN CB C 13 38.379 0.2 . 1 . . . . . 359 N CB . 27446 1 332 . 1 1 85 85 ASN N N 15 116.947 0.15 . 1 . . . . . 359 N N . 27446 1 333 . 1 1 86 86 ASP H H 1 7.864 0.015 . 1 . . . . . 360 D H . 27446 1 334 . 1 1 86 86 ASP C C 13 179.072 0.2 . 1 . . . . . 360 D C . 27446 1 335 . 1 1 86 86 ASP CA C 13 57.537 0.2 . 1 . . . . . 360 D CA . 27446 1 336 . 1 1 86 86 ASP CB C 13 41.066 0.2 . 1 . . . . . 360 D CB . 27446 1 337 . 1 1 86 86 ASP N N 15 117.951 0.15 . 1 . . . . . 360 D N . 27446 1 338 . 1 1 87 87 LEU H H 1 8.001 0.015 . 1 . . . . . 361 L H . 27446 1 339 . 1 1 87 87 LEU C C 13 180.311 0.2 . 1 . . . . . 361 L C . 27446 1 340 . 1 1 87 87 LEU CA C 13 57.660 0.2 . 1 . . . . . 361 L CA . 27446 1 341 . 1 1 87 87 LEU CB C 13 41.923 0.2 . 1 . . . . . 361 L CB . 27446 1 342 . 1 1 87 87 LEU N N 15 117.678 0.15 . 1 . . . . . 361 L N . 27446 1 343 . 1 1 88 88 LEU H H 1 8.516 0.015 . 1 . . . . . 362 L H . 27446 1 344 . 1 1 88 88 LEU C C 13 176.400 0.2 . 1 . . . . . 362 L C . 27446 1 345 . 1 1 88 88 LEU CA C 13 58.181 0.2 . 1 . . . . . 362 L CA . 27446 1 346 . 1 1 88 88 LEU CB C 13 41.122 0.2 . 1 . . . . . 362 L CB . 27446 1 347 . 1 1 88 88 LEU N N 15 120.571 0.15 . 1 . . . . . 362 L N . 27446 1 348 . 1 1 89 89 GLY H H 1 7.157 0.015 . 1 . . . . . 363 G H . 27446 1 349 . 1 1 89 89 GLY C C 13 173.695 0.2 . 1 . . . . . 363 G C . 27446 1 350 . 1 1 89 89 GLY CA C 13 45.686 0.2 . 1 . . . . . 363 G CA . 27446 1 351 . 1 1 89 89 GLY N N 15 104.195 0.15 . 1 . . . . . 363 G N . 27446 1 352 . 1 1 90 90 HIS H H 1 7.669 0.015 . 1 . . . . . 364 H H . 27446 1 353 . 1 1 90 90 HIS C C 13 176.165 0.2 . 1 . . . . . 364 H C . 27446 1 354 . 1 1 90 90 HIS CA C 13 57.043 0.2 . 1 . . . . . 364 H CA . 27446 1 355 . 1 1 90 90 HIS CB C 13 32.105 0.2 . 1 . . . . . 364 H CB . 27446 1 356 . 1 1 90 90 HIS N N 15 125.327 0.15 . 1 . . . . . 364 H N . 27446 1 357 . 1 1 91 91 PRO C C 13 178.460 0.2 . 1 . . . . . 365 P C . 27446 1 358 . 1 1 91 91 PRO CA C 13 65.222 0.2 . 1 . . . . . 365 P CA . 27446 1 359 . 1 1 91 91 PRO CB C 13 32.286 0.2 . 1 . . . . . 365 P CB . 27446 1 360 . 1 1 92 92 MET H H 1 10.958 0.015 . 1 . . . . . 366 M H . 27446 1 361 . 1 1 92 92 MET C C 13 176.668 0.2 . 1 . . . . . 366 M C . 27446 1 362 . 1 1 92 92 MET CA C 13 54.052 0.2 . 1 . . . . . 366 M CA . 27446 1 363 . 1 1 92 92 MET CB C 13 29.989 0.2 . 1 . . . . . 366 M CB . 27446 1 364 . 1 1 92 92 MET N N 15 118.127 0.15 . 1 . . . . . 366 M N . 27446 1 365 . 1 1 93 93 THR H H 1 8.185 0.015 . 1 . . . . . 367 T H . 27446 1 366 . 1 1 93 93 THR CA C 13 64.639 0.2 . 1 . . . . . 367 T CA . 27446 1 367 . 1 1 93 93 THR CB C 13 66.903 0.2 . 1 . . . . . 367 T CB . 27446 1 368 . 1 1 93 93 THR N N 15 120.685 0.15 . 1 . . . . . 367 T N . 27446 1 369 . 1 1 94 94 ARG H H 1 9.890 0.015 . 1 . . . . . 368 R H . 27446 1 370 . 1 1 94 94 ARG C C 13 175.938 0.2 . 1 . . . . . 368 R C . 27446 1 371 . 1 1 94 94 ARG CA C 13 55.183 0.2 . 1 . . . . . 368 R CA . 27446 1 372 . 1 1 94 94 ARG CB C 13 31.535 0.2 . 1 . . . . . 368 R CB . 27446 1 373 . 1 1 94 94 ARG N N 15 125.039 0.15 . 1 . . . . . 368 R N . 27446 1 374 . 1 1 95 95 ALA H H 1 7.212 0.015 . 1 . . . . . 369 A H . 27446 1 375 . 1 1 95 95 ALA C C 13 173.664 0.2 . 1 . . . . . 369 A C . 27446 1 376 . 1 1 95 95 ALA CA C 13 51.793 0.2 . 1 . . . . . 369 A CA . 27446 1 377 . 1 1 95 95 ALA CB C 13 21.562 0.2 . 1 . . . . . 369 A CB . 27446 1 378 . 1 1 95 95 ALA N N 15 111.888 0.15 . 1 . . . . . 369 A N . 27446 1 379 . 1 1 96 96 PHE H H 1 8.026 0.015 . 1 . . . . . 370 F H . 27446 1 380 . 1 1 96 96 PHE C C 13 173.725 0.2 . 1 . . . . . 370 F C . 27446 1 381 . 1 1 96 96 PHE CA C 13 52.620 0.2 . 1 . . . . . 370 F CA . 27446 1 382 . 1 1 96 96 PHE N N 15 121.882 0.15 . 1 . . . . . 370 F N . 27446 1 383 . 1 1 97 97 ILE H H 1 9.393 0.015 . 1 . . . . . 371 I H . 27446 1 384 . 1 1 97 97 ILE C C 13 172.941 0.2 . 1 . . . . . 371 I C . 27446 1 385 . 1 1 97 97 ILE CA C 13 60.446 0.2 . 1 . . . . . 371 I CA . 27446 1 386 . 1 1 97 97 ILE N N 15 128.197 0.15 . 1 . . . . . 371 I N . 27446 1 387 . 1 1 98 98 THR H H 1 7.920 0.015 . 1 . . . . . 372 T H . 27446 1 388 . 1 1 98 98 THR CA C 13 58.550 0.2 . 1 . . . . . 372 T CA . 27446 1 389 . 1 1 98 98 THR N N 15 118.755 0.15 . 1 . . . . . 372 T N . 27446 1 390 . 1 1 100 100 ALA C C 13 176.969 0.2 . 1 . . . . . 374 A C . 27446 1 391 . 1 1 100 100 ALA CA C 13 53.061 0.2 . 1 . . . . . 374 A CA . 27446 1 392 . 1 1 100 100 ALA CB C 13 15.780 0.2 . 1 . . . . . 374 A CB . 27446 1 393 . 1 1 101 101 GLY H H 1 8.295 0.015 . 1 . . . . . 375 G H . 27446 1 394 . 1 1 101 101 GLY C C 13 174.768 0.2 . 1 . . . . . 375 G C . 27446 1 395 . 1 1 101 101 GLY CA C 13 46.227 0.2 . 1 . . . . . 375 G CA . 27446 1 396 . 1 1 101 101 GLY N N 15 104.015 0.15 . 1 . . . . . 375 G N . 27446 1 397 . 1 1 102 102 SER H H 1 8.912 0.015 . 1 . . . . . 376 S H . 27446 1 398 . 1 1 102 102 SER C C 13 175.295 0.2 . 1 . . . . . 376 S C . 27446 1 399 . 1 1 102 102 SER CA C 13 58.590 0.2 . 1 . . . . . 376 S CA . 27446 1 400 . 1 1 102 102 SER CB C 13 64.635 0.2 . 1 . . . . . 376 S CB . 27446 1 401 . 1 1 102 102 SER N N 15 117.703 0.15 . 1 . . . . . 376 S N . 27446 1 402 . 1 1 103 103 HIS C C 13 177.444 0.2 . 1 . . . . . 377 H C . 27446 1 403 . 1 1 103 103 HIS CA C 13 60.478 0.2 . 1 . . . . . 377 H CA . 27446 1 404 . 1 1 103 103 HIS CB C 13 29.885 0.2 . 1 . . . . . 377 H CB . 27446 1 405 . 1 1 104 104 GLY H H 1 8.230 0.015 . 1 . . . . . 378 G H . 27446 1 406 . 1 1 104 104 GLY C C 13 175.819 0.2 . 1 . . . . . 378 G C . 27446 1 407 . 1 1 104 104 GLY CA C 13 47.643 0.2 . 1 . . . . . 378 G CA . 27446 1 408 . 1 1 104 104 GLY N N 15 108.439 0.15 . 1 . . . . . 378 G N . 27446 1 409 . 1 1 105 105 VAL H H 1 8.065 0.015 . 1 . . . . . 379 V H . 27446 1 410 . 1 1 105 105 VAL C C 13 177.387 0.2 . 1 . . . . . 379 V C . 27446 1 411 . 1 1 105 105 VAL CA C 13 66.881 0.2 . 1 . . . . . 379 V CA . 27446 1 412 . 1 1 105 105 VAL CB C 13 31.229 0.2 . 1 . . . . . 379 V CB . 27446 1 413 . 1 1 105 105 VAL N N 15 120.227 0.15 . 1 . . . . . 379 V N . 27446 1 414 . 1 1 106 106 TYR H H 1 8.028 0.015 . 1 . . . . . 380 Y H . 27446 1 415 . 1 1 106 106 TYR C C 13 178.050 0.2 . 1 . . . . . 380 Y C . 27446 1 416 . 1 1 106 106 TYR CA C 13 62.283 0.2 . 1 . . . . . 380 Y CA . 27446 1 417 . 1 1 106 106 TYR CB C 13 37.824 0.2 . 1 . . . . . 380 Y CB . 27446 1 418 . 1 1 106 106 TYR N N 15 118.822 0.15 . 1 . . . . . 380 Y N . 27446 1 419 . 1 1 107 107 GLU H H 1 8.178 0.015 . 1 . . . . . 381 E H . 27446 1 420 . 1 1 107 107 GLU C C 13 179.896 0.2 . 1 . . . . . 381 E C . 27446 1 421 . 1 1 107 107 GLU CA C 13 60.199 0.2 . 1 . . . . . 381 E CA . 27446 1 422 . 1 1 107 107 GLU CB C 13 29.499 0.2 . 1 . . . . . 381 E CB . 27446 1 423 . 1 1 107 107 GLU N N 15 118.709 0.15 . 1 . . . . . 381 E N . 27446 1 424 . 1 1 108 108 SER H H 1 8.426 0.015 . 1 . . . . . 382 S H . 27446 1 425 . 1 1 108 108 SER C C 13 178.785 0.2 . 1 . . . . . 382 S C . 27446 1 426 . 1 1 108 108 SER CA C 13 65.107 0.2 . 1 . . . . . 382 S CA . 27446 1 427 . 1 1 108 108 SER CB C 13 64.920 0.2 . 1 . . . . . 382 S CB . 27446 1 428 . 1 1 108 108 SER N N 15 119.176 0.15 . 1 . . . . . 382 S N . 27446 1 429 . 1 1 109 109 ILE H H 1 8.562 0.015 . 1 . . . . . 383 I H . 27446 1 430 . 1 1 109 109 ILE C C 13 179.481 0.2 . 1 . . . . . 383 I C . 27446 1 431 . 1 1 109 109 ILE CA C 13 65.775 0.2 . 1 . . . . . 383 I CA . 27446 1 432 . 1 1 109 109 ILE CB C 13 37.930 0.2 . 1 . . . . . 383 I CB . 27446 1 433 . 1 1 109 109 ILE N N 15 119.072 0.15 . 1 . . . . . 383 I N . 27446 1 434 . 1 1 110 110 CYS H H 1 8.454 0.015 . 1 . . . . . 384 C H . 27446 1 435 . 1 1 110 110 CYS C C 13 176.472 0.2 . 1 . . . . . 384 C C . 27446 1 436 . 1 1 110 110 CYS CA C 13 63.914 0.2 . 1 . . . . . 384 C CA . 27446 1 437 . 1 1 110 110 CYS CB C 13 26.906 0.2 . 1 . . . . . 384 C CB . 27446 1 438 . 1 1 110 110 CYS N N 15 116.962 0.15 . 1 . . . . . 384 C N . 27446 1 439 . 1 1 111 111 ASN H H 1 7.298 0.015 . 1 . . . . . 385 N H . 27446 1 440 . 1 1 111 111 ASN C C 13 174.058 0.2 . 1 . . . . . 385 N C . 27446 1 441 . 1 1 111 111 ASN CA C 13 54.631 0.2 . 1 . . . . . 385 N CA . 27446 1 442 . 1 1 111 111 ASN CB C 13 41.276 0.2 . 1 . . . . . 385 N CB . 27446 1 443 . 1 1 111 111 ASN N N 15 112.489 0.15 . 1 . . . . . 385 N N . 27446 1 444 . 1 1 112 112 GLY H H 1 7.966 0.015 . 1 . . . . . 386 G H . 27446 1 445 . 1 1 112 112 GLY C C 13 173.181 0.2 . 1 . . . . . 386 G C . 27446 1 446 . 1 1 112 112 GLY CA C 13 48.096 0.2 . 1 . . . . . 386 G CA . 27446 1 447 . 1 1 112 112 GLY N N 15 111.689 0.15 . 1 . . . . . 386 G N . 27446 1 448 . 1 1 113 113 VAL H H 1 8.175 0.015 . 1 . . . . . 387 V H . 27446 1 449 . 1 1 113 113 VAL C C 13 173.013 0.2 . 1 . . . . . 387 V C . 27446 1 450 . 1 1 113 113 VAL CA C 13 59.565 0.2 . 1 . . . . . 387 V CA . 27446 1 451 . 1 1 113 113 VAL CB C 13 33.817 0.2 . 1 . . . . . 387 V CB . 27446 1 452 . 1 1 113 113 VAL N N 15 121.790 0.15 . 1 . . . . . 387 V N . 27446 1 453 . 1 1 114 114 PRO C C 13 175.393 0.2 . 1 . . . . . 388 P C . 27446 1 454 . 1 1 114 114 PRO CA C 13 63.317 0.2 . 1 . . . . . 388 P CA . 27446 1 455 . 1 1 114 114 PRO CB C 13 33.680 0.2 . 1 . . . . . 388 P CB . 27446 1 456 . 1 1 115 115 MET H H 1 7.348 0.015 . 1 . . . . . 389 M H . 27446 1 457 . 1 1 115 115 MET C C 13 176.070 0.2 . 1 . . . . . 389 M C . 27446 1 458 . 1 1 115 115 MET CA C 13 55.231 0.2 . 1 . . . . . 389 M CA . 27446 1 459 . 1 1 115 115 MET CB C 13 38.704 0.2 . 1 . . . . . 389 M CB . 27446 1 460 . 1 1 115 115 MET N N 15 113.714 0.15 . 1 . . . . . 389 M N . 27446 1 461 . 1 1 116 116 VAL H H 1 8.434 0.015 . 1 . . . . . 390 V H . 27446 1 462 . 1 1 116 116 VAL C C 13 174.239 0.2 . 1 . . . . . 390 V C . 27446 1 463 . 1 1 116 116 VAL CA C 13 62.632 0.2 . 1 . . . . . 390 V CA . 27446 1 464 . 1 1 116 116 VAL CB C 13 32.298 0.2 . 1 . . . . . 390 V CB . 27446 1 465 . 1 1 116 116 VAL N N 15 120.605 0.15 . 1 . . . . . 390 V N . 27446 1 466 . 1 1 117 117 MET H H 1 9.120 0.015 . 1 . . . . . 391 M H . 27446 1 467 . 1 1 117 117 MET C C 13 174.030 0.2 . 1 . . . . . 391 M C . 27446 1 468 . 1 1 117 117 MET CA C 13 54.983 0.2 . 1 . . . . . 391 M CA . 27446 1 469 . 1 1 117 117 MET CB C 13 34.649 0.2 . 1 . . . . . 391 M CB . 27446 1 470 . 1 1 117 117 MET N N 15 125.110 0.15 . 1 . . . . . 391 M N . 27446 1 471 . 1 1 118 118 MET H H 1 9.168 0.015 . 1 . . . . . 392 M H . 27446 1 472 . 1 1 118 118 MET C C 13 171.320 0.2 . 1 . . . . . 392 M C . 27446 1 473 . 1 1 118 118 MET CA C 13 53.061 0.2 . 1 . . . . . 392 M CA . 27446 1 474 . 1 1 118 118 MET CB C 13 33.795 0.2 . 1 . . . . . 392 M CB . 27446 1 475 . 1 1 118 118 MET N N 15 122.050 0.15 . 1 . . . . . 392 M N . 27446 1 476 . 1 1 119 119 PRO C C 13 177.265 0.2 . 1 . . . . . 393 P C . 27446 1 477 . 1 1 119 119 PRO CA C 13 63.399 0.2 . 1 . . . . . 393 P CA . 27446 1 478 . 1 1 119 119 PRO CB C 13 32.751 0.2 . 1 . . . . . 393 P CB . 27446 1 479 . 1 1 120 120 LEU H H 1 8.807 0.015 . 1 . . . . . 394 L H . 27446 1 480 . 1 1 120 120 LEU C C 13 177.123 0.2 . 1 . . . . . 394 L C . 27446 1 481 . 1 1 120 120 LEU CA C 13 56.294 0.2 . 1 . . . . . 394 L CA . 27446 1 482 . 1 1 120 120 LEU CB C 13 44.586 0.2 . 1 . . . . . 394 L CB . 27446 1 483 . 1 1 120 120 LEU N N 15 120.252 0.15 . 1 . . . . . 394 L N . 27446 1 484 . 1 1 121 121 PHE H H 1 7.760 0.015 . 1 . . . . . 395 F H . 27446 1 485 . 1 1 121 121 PHE C C 13 176.275 0.2 . 1 . . . . . 395 F C . 27446 1 486 . 1 1 121 121 PHE CA C 13 56.846 0.2 . 1 . . . . . 395 F CA . 27446 1 487 . 1 1 121 121 PHE CB C 13 42.112 0.2 . 1 . . . . . 395 F CB . 27446 1 488 . 1 1 121 121 PHE N N 15 116.616 0.15 . 1 . . . . . 395 F N . 27446 1 489 . 1 1 122 122 GLY H H 1 8.945 0.015 . 1 . . . . . 396 G H . 27446 1 490 . 1 1 122 122 GLY CA C 13 48.090 0.2 . 1 . . . . . 396 G CA . 27446 1 491 . 1 1 122 122 GLY N N 15 109.078 0.15 . 1 . . . . . 396 G N . 27446 1 492 . 1 1 123 123 ASP H H 1 8.945 0.015 . 1 . . . . . 397 D H . 27446 1 493 . 1 1 123 123 ASP CA C 13 56.520 0.2 . 1 . . . . . 397 D CA . 27446 1 494 . 1 1 123 123 ASP CB C 13 39.752 0.2 . 1 . . . . . 397 D CB . 27446 1 495 . 1 1 123 123 ASP N N 15 123.208 0.15 . 1 . . . . . 397 D N . 27446 1 496 . 1 1 124 124 GLN H H 1 7.565 0.015 . 1 . . . . . 398 Q H . 27446 1 497 . 1 1 124 124 GLN C C 13 178.528 0.2 . 1 . . . . . 398 Q C . 27446 1 498 . 1 1 124 124 GLN CA C 13 58.577 0.2 . 1 . . . . . 398 Q CA . 27446 1 499 . 1 1 124 124 GLN CB C 13 27.220 0.2 . 1 . . . . . 398 Q CB . 27446 1 500 . 1 1 124 124 GLN N N 15 119.312 0.15 . 1 . . . . . 398 Q N . 27446 1 501 . 1 1 125 125 MET H H 1 8.013 0.015 . 1 . . . . . 399 M H . 27446 1 502 . 1 1 125 125 MET CA C 13 59.360 0.2 . 1 . . . . . 399 M CA . 27446 1 503 . 1 1 125 125 MET CB C 13 30.900 0.2 . 1 . . . . . 399 M CB . 27446 1 504 . 1 1 125 125 MET N N 15 117.850 0.15 . 1 . . . . . 399 M N . 27446 1 505 . 1 1 126 126 ASP H H 1 7.900 0.015 . 1 . . . . . 400 D H . 27446 1 506 . 1 1 126 126 ASP C C 13 178.908 0.2 . 1 . . . . . 400 D C . 27446 1 507 . 1 1 126 126 ASP CA C 13 57.607 0.2 . 1 . . . . . 400 D CA . 27446 1 508 . 1 1 126 126 ASP CB C 13 40.576 0.2 . 1 . . . . . 400 D CB . 27446 1 509 . 1 1 126 126 ASP N N 15 120.407 0.15 . 1 . . . . . 400 D N . 27446 1 510 . 1 1 127 127 ASN H H 1 8.234 0.015 . 1 . . . . . 401 N H . 27446 1 511 . 1 1 127 127 ASN C C 13 177.425 0.2 . 1 . . . . . 401 N C . 27446 1 512 . 1 1 127 127 ASN CA C 13 56.027 0.2 . 1 . . . . . 401 N CA . 27446 1 513 . 1 1 127 127 ASN CB C 13 38.069 0.2 . 1 . . . . . 401 N CB . 27446 1 514 . 1 1 127 127 ASN N N 15 119.485 0.15 . 1 . . . . . 401 N N . 27446 1 515 . 1 1 128 128 ALA H H 1 8.617 0.015 . 1 . . . . . 402 A H . 27446 1 516 . 1 1 128 128 ALA C C 13 179.295 0.2 . 1 . . . . . 402 A C . 27446 1 517 . 1 1 128 128 ALA CA C 13 54.742 0.2 . 1 . . . . . 402 A CA . 27446 1 518 . 1 1 128 128 ALA CB C 13 18.286 0.2 . 1 . . . . . 402 A CB . 27446 1 519 . 1 1 128 128 ALA N N 15 121.997 0.15 . 1 . . . . . 402 A N . 27446 1 520 . 1 1 129 129 LYS H H 1 8.016 0.015 . 1 . . . . . 403 K H . 27446 1 521 . 1 1 129 129 LYS C C 13 180.160 0.2 . 1 . . . . . 403 K C . 27446 1 522 . 1 1 129 129 LYS CA C 13 59.136 0.2 . 1 . . . . . 403 K CA . 27446 1 523 . 1 1 129 129 LYS CB C 13 31.610 0.2 . 1 . . . . . 403 K CB . 27446 1 524 . 1 1 129 129 LYS N N 15 117.969 0.15 . 1 . . . . . 403 K N . 27446 1 525 . 1 1 130 130 ARG H H 1 7.938 0.015 . 1 . . . . . 404 R H . 27446 1 526 . 1 1 130 130 ARG C C 13 179.203 0.2 . 1 . . . . . 404 R C . 27446 1 527 . 1 1 130 130 ARG CA C 13 60.049 0.2 . 1 . . . . . 404 R CA . 27446 1 528 . 1 1 130 130 ARG CB C 13 30.144 0.2 . 1 . . . . . 404 R CB . 27446 1 529 . 1 1 130 130 ARG N N 15 120.085 0.15 . 1 . . . . . 404 R N . 27446 1 530 . 1 1 131 131 MET H H 1 8.179 0.015 . 1 . . . . . 405 M H . 27446 1 531 . 1 1 131 131 MET CA C 13 56.668 0.2 . 1 . . . . . 405 M CA . 27446 1 532 . 1 1 131 131 MET CB C 13 33.836 0.2 . 1 . . . . . 405 M CB . 27446 1 533 . 1 1 131 131 MET N N 15 116.289 0.15 . 1 . . . . . 405 M N . 27446 1 534 . 1 1 132 132 GLU H H 1 9.023 0.015 . 1 . . . . . 406 E H . 27446 1 535 . 1 1 132 132 GLU C C 13 181.590 0.2 . 1 . . . . . 406 E C . 27446 1 536 . 1 1 132 132 GLU CA C 13 60.107 0.2 . 1 . . . . . 406 E CA . 27446 1 537 . 1 1 132 132 GLU CB C 13 29.685 0.2 . 1 . . . . . 406 E CB . 27446 1 538 . 1 1 132 132 GLU N N 15 122.537 0.15 . 1 . . . . . 406 E N . 27446 1 539 . 1 1 133 133 THR H H 1 8.433 0.015 . 1 . . . . . 407 T H . 27446 1 540 . 1 1 133 133 THR C C 13 176.204 0.2 . 1 . . . . . 407 T C . 27446 1 541 . 1 1 133 133 THR CA C 13 66.785 0.2 . 1 . . . . . 407 T CA . 27446 1 542 . 1 1 133 133 THR CB C 13 69.167 0.2 . 1 . . . . . 407 T CB . 27446 1 543 . 1 1 133 133 THR N N 15 117.668 0.15 . 1 . . . . . 407 T N . 27446 1 544 . 1 1 134 134 LYS H H 1 7.433 0.015 . 1 . . . . . 408 K H . 27446 1 545 . 1 1 134 134 LYS C C 13 176.082 0.2 . 1 . . . . . 408 K C . 27446 1 546 . 1 1 134 134 LYS CA C 13 56.184 0.2 . 1 . . . . . 408 K CA . 27446 1 547 . 1 1 134 134 LYS CB C 13 32.796 0.2 . 1 . . . . . 408 K CB . 27446 1 548 . 1 1 134 134 LYS N N 15 118.044 0.15 . 1 . . . . . 408 K N . 27446 1 549 . 1 1 135 135 GLY H H 1 7.904 0.015 . 1 . . . . . 409 G H . 27446 1 550 . 1 1 135 135 GLY C C 13 174.011 0.2 . 1 . . . . . 409 G C . 27446 1 551 . 1 1 135 135 GLY CA C 13 46.176 0.2 . 1 . . . . . 409 G CA . 27446 1 552 . 1 1 135 135 GLY N N 15 107.137 0.15 . 1 . . . . . 409 G N . 27446 1 553 . 1 1 136 136 ALA H H 1 7.975 0.015 . 1 . . . . . 410 A H . 27446 1 554 . 1 1 136 136 ALA C C 13 175.170 0.2 . 1 . . . . . 410 A C . 27446 1 555 . 1 1 136 136 ALA CA C 13 52.450 0.2 . 1 . . . . . 410 A CA . 27446 1 556 . 1 1 136 136 ALA CB C 13 20.900 0.2 . 1 . . . . . 410 A CB . 27446 1 557 . 1 1 136 136 ALA N N 15 118.016 0.15 . 1 . . . . . 410 A N . 27446 1 558 . 1 1 137 137 GLY H H 1 7.247 0.015 . 1 . . . . . 411 G H . 27446 1 559 . 1 1 137 137 GLY C C 13 170.903 0.2 . 1 . . . . . 411 G C . 27446 1 560 . 1 1 137 137 GLY CA C 13 46.519 0.2 . 1 . . . . . 411 G CA . 27446 1 561 . 1 1 137 137 GLY N N 15 105.394 0.15 . 1 . . . . . 411 G N . 27446 1 562 . 1 1 138 138 VAL H H 1 7.784 0.015 . 1 . . . . . 412 V H . 27446 1 563 . 1 1 138 138 VAL C C 13 173.997 0.2 . 1 . . . . . 412 V C . 27446 1 564 . 1 1 138 138 VAL CA C 13 60.680 0.2 . 1 . . . . . 412 V CA . 27446 1 565 . 1 1 138 138 VAL CB C 13 35.727 0.2 . 1 . . . . . 412 V CB . 27446 1 566 . 1 1 138 138 VAL N N 15 116.378 0.15 . 1 . . . . . 412 V N . 27446 1 567 . 1 1 139 139 THR H H 1 8.460 0.015 . 1 . . . . . 413 T H . 27446 1 568 . 1 1 139 139 THR C C 13 174.076 0.2 . 1 . . . . . 413 T C . 27446 1 569 . 1 1 139 139 THR CA C 13 62.646 0.2 . 1 . . . . . 413 T CA . 27446 1 570 . 1 1 139 139 THR CB C 13 69.481 0.2 . 1 . . . . . 413 T CB . 27446 1 571 . 1 1 139 139 THR N N 15 123.020 0.15 . 1 . . . . . 413 T N . 27446 1 572 . 1 1 140 140 LEU H H 1 9.193 0.015 . 1 . . . . . 414 L H . 27446 1 573 . 1 1 140 140 LEU C C 13 175.080 0.2 . 1 . . . . . 414 L C . 27446 1 574 . 1 1 140 140 LEU CA C 13 53.378 0.2 . 1 . . . . . 414 L CA . 27446 1 575 . 1 1 140 140 LEU CB C 13 45.500 0.2 . 1 . . . . . 414 L CB . 27446 1 576 . 1 1 140 140 LEU N N 15 126.408 0.15 . 1 . . . . . 414 L N . 27446 1 577 . 1 1 141 141 ASN H H 1 8.700 0.015 . 1 . . . . . 415 N H . 27446 1 578 . 1 1 141 141 ASN C C 13 176.022 0.2 . 1 . . . . . 415 N C . 27446 1 579 . 1 1 141 141 ASN CA C 13 51.467 0.2 . 1 . . . . . 415 N CA . 27446 1 580 . 1 1 141 141 ASN CB C 13 38.301 0.2 . 1 . . . . . 415 N CB . 27446 1 581 . 1 1 141 141 ASN N N 15 119.635 0.15 . 1 . . . . . 415 N N . 27446 1 582 . 1 1 142 142 VAL H H 1 9.087 0.015 . 1 . . . . . 416 V H . 27446 1 583 . 1 1 142 142 VAL C C 13 175.942 0.2 . 1 . . . . . 416 V C . 27446 1 584 . 1 1 142 142 VAL CA C 13 65.413 0.2 . 1 . . . . . 416 V CA . 27446 1 585 . 1 1 142 142 VAL CB C 13 31.838 0.2 . 1 . . . . . 416 V CB . 27446 1 586 . 1 1 142 142 VAL N N 15 125.166 0.15 . 1 . . . . . 416 V N . 27446 1 587 . 1 1 143 143 LEU H H 1 7.824 0.015 . 1 . . . . . 417 L H . 27446 1 588 . 1 1 143 143 LEU C C 13 178.666 0.2 . 1 . . . . . 417 L C . 27446 1 589 . 1 1 143 143 LEU CA C 13 57.387 0.2 . 1 . . . . . 417 L CA . 27446 1 590 . 1 1 143 143 LEU CB C 13 41.206 0.2 . 1 . . . . . 417 L CB . 27446 1 591 . 1 1 143 143 LEU N N 15 117.289 0.15 . 1 . . . . . 417 L N . 27446 1 592 . 1 1 144 144 GLU H H 1 7.252 0.015 . 1 . . . . . 418 E H . 27446 1 593 . 1 1 144 144 GLU C C 13 176.874 0.2 . 1 . . . . . 418 E C . 27446 1 594 . 1 1 144 144 GLU CA C 13 56.059 0.2 . 1 . . . . . 418 E CA . 27446 1 595 . 1 1 144 144 GLU CB C 13 31.833 0.2 . 1 . . . . . 418 E CB . 27446 1 596 . 1 1 144 144 GLU N N 15 115.804 0.15 . 1 . . . . . 418 E N . 27446 1 597 . 1 1 145 145 MET H H 1 7.887 0.015 . 1 . . . . . 419 M H . 27446 1 598 . 1 1 145 145 MET C C 13 175.262 0.2 . 1 . . . . . 419 M C . 27446 1 599 . 1 1 145 145 MET CA C 13 57.102 0.2 . 1 . . . . . 419 M CA . 27446 1 600 . 1 1 145 145 MET CB C 13 33.568 0.2 . 1 . . . . . 419 M CB . 27446 1 601 . 1 1 145 145 MET N N 15 119.243 0.15 . 1 . . . . . 419 M N . 27446 1 602 . 1 1 146 146 THR H H 1 8.950 0.015 . 1 . . . . . 420 T H . 27446 1 603 . 1 1 146 146 THR C C 13 175.654 0.2 . 1 . . . . . 420 T C . 27446 1 604 . 1 1 146 146 THR CA C 13 59.722 0.2 . 1 . . . . . 420 T CA . 27446 1 605 . 1 1 146 146 THR CB C 13 72.681 0.2 . 1 . . . . . 420 T CB . 27446 1 606 . 1 1 146 146 THR N N 15 114.183 0.15 . 1 . . . . . 420 T N . 27446 1 607 . 1 1 147 147 SER H H 1 9.078 0.015 . 1 . . . . . 421 S H . 27446 1 608 . 1 1 147 147 SER CA C 13 61.140 0.2 . 1 . . . . . 421 S CA . 27446 1 609 . 1 1 147 147 SER CB C 13 63.080 0.2 . 1 . . . . . 421 S CB . 27446 1 610 . 1 1 147 147 SER N N 15 114.342 0.15 . 1 . . . . . 421 S N . 27446 1 611 . 1 1 148 148 GLU H H 1 8.545 0.015 . 1 . . . . . 422 E H . 27446 1 612 . 1 1 148 148 GLU C C 13 178.027 0.2 . 1 . . . . . 422 E C . 27446 1 613 . 1 1 148 148 GLU CA C 13 60.293 0.2 . 1 . . . . . 422 E CA . 27446 1 614 . 1 1 148 148 GLU CB C 13 29.300 0.2 . 1 . . . . . 422 E CB . 27446 1 615 . 1 1 148 148 GLU N N 15 118.939 0.15 . 1 . . . . . 422 E N . 27446 1 616 . 1 1 149 149 ASP H H 1 7.695 0.015 . 1 . . . . . 423 D H . 27446 1 617 . 1 1 149 149 ASP C C 13 179.443 0.2 . 1 . . . . . 423 D C . 27446 1 618 . 1 1 149 149 ASP CA C 13 57.785 0.2 . 1 . . . . . 423 D CA . 27446 1 619 . 1 1 149 149 ASP CB C 13 41.559 0.2 . 1 . . . . . 423 D CB . 27446 1 620 . 1 1 149 149 ASP N N 15 117.694 0.15 . 1 . . . . . 423 D N . 27446 1 621 . 1 1 150 150 LEU H H 1 7.416 0.015 . 1 . . . . . 424 L H . 27446 1 622 . 1 1 150 150 LEU C C 13 176.819 0.2 . 1 . . . . . 424 L C . 27446 1 623 . 1 1 150 150 LEU CA C 13 57.880 0.2 . 1 . . . . . 424 L CA . 27446 1 624 . 1 1 150 150 LEU CB C 13 39.660 0.2 . 1 . . . . . 424 L CB . 27446 1 625 . 1 1 150 150 LEU N N 15 120.276 0.15 . 1 . . . . . 424 L N . 27446 1 626 . 1 1 151 151 GLU H H 1 8.874 0.015 . 1 . . . . . 425 E H . 27446 1 627 . 1 1 151 151 GLU C C 13 177.773 0.2 . 1 . . . . . 425 E C . 27446 1 628 . 1 1 151 151 GLU CA C 13 60.169 0.2 . 1 . . . . . 425 E CA . 27446 1 629 . 1 1 151 151 GLU CB C 13 29.814 0.2 . 1 . . . . . 425 E CB . 27446 1 630 . 1 1 151 151 GLU N N 15 121.470 0.15 . 1 . . . . . 425 E N . 27446 1 631 . 1 1 152 152 ASN H H 1 8.584 0.015 . 1 . . . . . 426 N H . 27446 1 632 . 1 1 152 152 ASN C C 13 178.295 0.2 . 1 . . . . . 426 N C . 27446 1 633 . 1 1 152 152 ASN CA C 13 56.238 0.2 . 1 . . . . . 426 N CA . 27446 1 634 . 1 1 152 152 ASN CB C 13 37.979 0.2 . 1 . . . . . 426 N CB . 27446 1 635 . 1 1 152 152 ASN N N 15 114.908 0.15 . 1 . . . . . 426 N N . 27446 1 636 . 1 1 153 153 ALA H H 1 7.759 0.015 . 1 . . . . . 427 A H . 27446 1 637 . 1 1 153 153 ALA C C 13 178.242 0.2 . 1 . . . . . 427 A C . 27446 1 638 . 1 1 153 153 ALA CA C 13 55.509 0.2 . 1 . . . . . 427 A CA . 27446 1 639 . 1 1 153 153 ALA CB C 13 19.379 0.2 . 1 . . . . . 427 A CB . 27446 1 640 . 1 1 153 153 ALA N N 15 123.615 0.15 . 1 . . . . . 427 A N . 27446 1 641 . 1 1 154 154 LEU H H 1 8.191 0.015 . 1 . . . . . 428 L H . 27446 1 642 . 1 1 154 154 LEU C C 13 177.952 0.2 . 1 . . . . . 428 L C . 27446 1 643 . 1 1 154 154 LEU CA C 13 57.740 0.2 . 1 . . . . . 428 L CA . 27446 1 644 . 1 1 154 154 LEU CB C 13 42.000 0.2 . 1 . . . . . 428 L CB . 27446 1 645 . 1 1 154 154 LEU N N 15 116.392 0.15 . 1 . . . . . 428 L N . 27446 1 646 . 1 1 155 155 LYS H H 1 8.191 0.015 . 1 . . . . . 429 K H . 27446 1 647 . 1 1 155 155 LYS C C 13 179.410 0.2 . 1 . . . . . 429 K C . 27446 1 648 . 1 1 155 155 LYS CA C 13 60.795 0.2 . 1 . . . . . 429 K CA . 27446 1 649 . 1 1 155 155 LYS CB C 13 32.090 0.2 . 1 . . . . . 429 K CB . 27446 1 650 . 1 1 155 155 LYS N N 15 115.476 0.15 . 1 . . . . . 429 K N . 27446 1 651 . 1 1 156 156 ALA H H 1 7.738 0.015 . 1 . . . . . 430 A H . 27446 1 652 . 1 1 156 156 ALA C C 13 178.247 0.2 . 1 . . . . . 430 A C . 27446 1 653 . 1 1 156 156 ALA CA C 13 55.887 0.2 . 1 . . . . . 430 A CA . 27446 1 654 . 1 1 156 156 ALA CB C 13 17.789 0.2 . 1 . . . . . 430 A CB . 27446 1 655 . 1 1 156 156 ALA N N 15 121.168 0.15 . 1 . . . . . 430 A N . 27446 1 656 . 1 1 157 157 VAL H H 1 7.617 0.015 . 1 . . . . . 431 V H . 27446 1 657 . 1 1 157 157 VAL C C 13 177.109 0.2 . 1 . . . . . 431 V C . 27446 1 658 . 1 1 157 157 VAL CA C 13 65.104 0.2 . 1 . . . . . 431 V CA . 27446 1 659 . 1 1 157 157 VAL CB C 13 31.012 0.2 . 1 . . . . . 431 V CB . 27446 1 660 . 1 1 157 157 VAL N N 15 109.701 0.15 . 1 . . . . . 431 V N . 27446 1 661 . 1 1 158 158 ILE H H 1 7.857 0.015 . 1 . . . . . 432 I H . 27446 1 662 . 1 1 158 158 ILE C C 13 177.551 0.2 . 1 . . . . . 432 I C . 27446 1 663 . 1 1 158 158 ILE CA C 13 64.875 0.2 . 1 . . . . . 432 I CA . 27446 1 664 . 1 1 158 158 ILE CB C 13 38.607 0.2 . 1 . . . . . 432 I CB . 27446 1 665 . 1 1 158 158 ILE N N 15 116.333 0.15 . 1 . . . . . 432 I N . 27446 1 666 . 1 1 159 159 ASN H H 1 7.817 0.015 . 1 . . . . . 433 N H . 27446 1 667 . 1 1 159 159 ASN C C 13 175.438 0.2 . 1 . . . . . 433 N C . 27446 1 668 . 1 1 159 159 ASN CA C 13 55.496 0.2 . 1 . . . . . 433 N CA . 27446 1 669 . 1 1 159 159 ASN CB C 13 40.176 0.2 . 1 . . . . . 433 N CB . 27446 1 670 . 1 1 159 159 ASN N N 15 113.874 0.15 . 1 . . . . . 433 N N . 27446 1 671 . 1 1 160 160 ASP H H 1 8.586 0.015 . 1 . . . . . 434 D H . 27446 1 672 . 1 1 160 160 ASP C C 13 177.775 0.2 . 1 . . . . . 434 D C . 27446 1 673 . 1 1 160 160 ASP CA C 13 54.007 0.2 . 1 . . . . . 434 D CA . 27446 1 674 . 1 1 160 160 ASP CB C 13 40.684 0.2 . 1 . . . . . 434 D CB . 27446 1 675 . 1 1 160 160 ASP N N 15 121.822 0.15 . 1 . . . . . 434 D N . 27446 1 676 . 1 1 161 161 LYS H H 1 8.890 0.015 . 1 . . . . . 435 K H . 27446 1 677 . 1 1 161 161 LYS C C 13 176.433 0.2 . 1 . . . . . 435 K C . 27446 1 678 . 1 1 161 161 LYS CA C 13 58.851 0.2 . 1 . . . . . 435 K CA . 27446 1 679 . 1 1 161 161 LYS CB C 13 32.254 0.2 . 1 . . . . . 435 K CB . 27446 1 680 . 1 1 161 161 LYS N N 15 126.554 0.15 . 1 . . . . . 435 K N . 27446 1 681 . 1 1 162 162 SER H H 1 8.662 0.015 . 1 . . . . . 436 S H . 27446 1 682 . 1 1 162 162 SER C C 13 176.317 0.2 . 1 . . . . . 436 S C . 27446 1 683 . 1 1 162 162 SER CA C 13 62.257 0.2 . 1 . . . . . 436 S CA . 27446 1 684 . 1 1 162 162 SER CB C 13 62.230 0.2 . 1 . . . . . 436 S CB . 27446 1 685 . 1 1 162 162 SER N N 15 115.497 0.15 . 1 . . . . . 436 S N . 27446 1 686 . 1 1 163 163 TYR H H 1 7.060 0.015 . 1 . . . . . 437 Y H . 27446 1 687 . 1 1 163 163 TYR C C 13 177.901 0.2 . 1 . . . . . 437 Y C . 27446 1 688 . 1 1 163 163 TYR CA C 13 62.206 0.2 . 1 . . . . . 437 Y CA . 27446 1 689 . 1 1 163 163 TYR CB C 13 37.719 0.2 . 1 . . . . . 437 Y CB . 27446 1 690 . 1 1 163 163 TYR N N 15 119.798 0.15 . 1 . . . . . 437 Y N . 27446 1 691 . 1 1 164 164 LYS H H 1 8.106 0.015 . 1 . . . . . 438 K H . 27446 1 692 . 1 1 164 164 LYS C C 13 178.165 0.2 . 1 . . . . . 438 K C . 27446 1 693 . 1 1 164 164 LYS CA C 13 59.043 0.2 . 1 . . . . . 438 K CA . 27446 1 694 . 1 1 164 164 LYS CB C 13 32.459 0.2 . 1 . . . . . 438 K CB . 27446 1 695 . 1 1 164 164 LYS N N 15 120.403 0.15 . 1 . . . . . 438 K N . 27446 1 696 . 1 1 165 165 GLU H H 1 8.273 0.015 . 1 . . . . . 439 E H . 27446 1 697 . 1 1 165 165 GLU C C 13 179.993 0.2 . 1 . . . . . 439 E C . 27446 1 698 . 1 1 165 165 GLU CA C 13 60.077 0.2 . 1 . . . . . 439 E CA . 27446 1 699 . 1 1 165 165 GLU CB C 13 29.323 0.2 . 1 . . . . . 439 E CB . 27446 1 700 . 1 1 165 165 GLU N N 15 117.510 0.15 . 1 . . . . . 439 E N . 27446 1 701 . 1 1 166 166 ASN H H 1 8.732 0.015 . 1 . . . . . 440 N H . 27446 1 702 . 1 1 166 166 ASN C C 13 179.291 0.2 . 1 . . . . . 440 N C . 27446 1 703 . 1 1 166 166 ASN CA C 13 56.391 0.2 . 1 . . . . . 440 N CA . 27446 1 704 . 1 1 166 166 ASN CB C 13 37.793 0.2 . 1 . . . . . 440 N CB . 27446 1 705 . 1 1 166 166 ASN N N 15 117.700 0.15 . 1 . . . . . 440 N N . 27446 1 706 . 1 1 167 167 ILE H H 1 8.650 0.015 . 1 . . . . . 441 I H . 27446 1 707 . 1 1 167 167 ILE C C 13 177.554 0.2 . 1 . . . . . 441 I C . 27446 1 708 . 1 1 167 167 ILE CA C 13 64.980 0.2 . 1 . . . . . 441 I CA . 27446 1 709 . 1 1 167 167 ILE CB C 13 37.800 0.2 . 1 . . . . . 441 I CB . 27446 1 710 . 1 1 167 167 ILE N N 15 121.465 0.15 . 1 . . . . . 441 I N . 27446 1 711 . 1 1 168 168 MET H H 1 8.407 0.015 . 1 . . . . . 442 M H . 27446 1 712 . 1 1 168 168 MET C C 13 179.761 0.2 . 1 . . . . . 442 M C . 27446 1 713 . 1 1 168 168 MET CA C 13 58.385 0.2 . 1 . . . . . 442 M CA . 27446 1 714 . 1 1 168 168 MET CB C 13 31.147 0.2 . 1 . . . . . 442 M CB . 27446 1 715 . 1 1 168 168 MET N N 15 122.678 0.15 . 1 . . . . . 442 M N . 27446 1 716 . 1 1 169 169 ARG H H 1 7.775 0.015 . 1 . . . . . 443 R H . 27446 1 717 . 1 1 169 169 ARG C C 13 178.966 0.2 . 1 . . . . . 443 R C . 27446 1 718 . 1 1 169 169 ARG CA C 13 59.518 0.2 . 1 . . . . . 443 R CA . 27446 1 719 . 1 1 169 169 ARG CB C 13 29.969 0.2 . 1 . . . . . 443 R CB . 27446 1 720 . 1 1 169 169 ARG N N 15 120.111 0.15 . 1 . . . . . 443 R N . 27446 1 721 . 1 1 170 170 LEU H H 1 7.611 0.015 . 1 . . . . . 444 L H . 27446 1 722 . 1 1 170 170 LEU C C 13 178.784 0.2 . 1 . . . . . 444 L C . 27446 1 723 . 1 1 170 170 LEU CA C 13 57.526 0.2 . 1 . . . . . 444 L CA . 27446 1 724 . 1 1 170 170 LEU CB C 13 41.295 0.2 . 1 . . . . . 444 L CB . 27446 1 725 . 1 1 170 170 LEU N N 15 118.514 0.15 . 1 . . . . . 444 L N . 27446 1 726 . 1 1 171 171 SER H H 1 8.299 0.015 . 1 . . . . . 445 S H . 27446 1 727 . 1 1 171 171 SER CA C 13 61.172 0.2 . 1 . . . . . 445 S CA . 27446 1 728 . 1 1 171 171 SER CB C 13 64.129 0.2 . 1 . . . . . 445 S CB . 27446 1 729 . 1 1 171 171 SER N N 15 114.316 0.15 . 1 . . . . . 445 S N . 27446 1 730 . 1 1 172 172 SER H H 1 7.910 0.015 . 1 . . . . . 446 S H . 27446 1 731 . 1 1 172 172 SER CA C 13 60.602 0.2 . 1 . . . . . 446 S CA . 27446 1 732 . 1 1 172 172 SER CB C 13 63.715 0.2 . 1 . . . . . 446 S CB . 27446 1 733 . 1 1 172 172 SER N N 15 114.736 0.15 . 1 . . . . . 446 S N . 27446 1 734 . 1 1 173 173 LEU H H 1 7.740 0.015 . 1 . . . . . 447 L H . 27446 1 735 . 1 1 173 173 LEU C C 13 177.910 0.2 . 1 . . . . . 447 L C . 27446 1 736 . 1 1 173 173 LEU CA C 13 56.783 0.2 . 1 . . . . . 447 L CA . 27446 1 737 . 1 1 173 173 LEU CB C 13 42.236 0.2 . 1 . . . . . 447 L CB . 27446 1 738 . 1 1 173 173 LEU N N 15 121.622 0.15 . 1 . . . . . 447 L N . 27446 1 739 . 1 1 174 174 HIS H H 1 8.029 0.015 . 1 . . . . . 448 H H . 27446 1 740 . 1 1 174 174 HIS C C 13 175.959 0.2 . 1 . . . . . 448 H C . 27446 1 741 . 1 1 174 174 HIS CA C 13 57.243 0.2 . 1 . . . . . 448 H CA . 27446 1 742 . 1 1 174 174 HIS CB C 13 30.742 0.2 . 1 . . . . . 448 H CB . 27446 1 743 . 1 1 174 174 HIS N N 15 117.800 0.15 . 1 . . . . . 448 H N . 27446 1 744 . 1 1 175 175 LYS H H 1 8.050 0.015 . 1 . . . . . 449 K H . 27446 1 745 . 1 1 175 175 LYS C C 13 176.702 0.2 . 1 . . . . . 449 K C . 27446 1 746 . 1 1 175 175 LYS CA C 13 57.607 0.2 . 1 . . . . . 449 K CA . 27446 1 747 . 1 1 175 175 LYS CB C 13 32.621 0.2 . 1 . . . . . 449 K CB . 27446 1 748 . 1 1 175 175 LYS N N 15 121.078 0.15 . 1 . . . . . 449 K N . 27446 1 749 . 1 1 176 176 ASP H H 1 8.254 0.015 . 1 . . . . . 450 D H . 27446 1 750 . 1 1 176 176 ASP C C 13 176.516 0.2 . 1 . . . . . 450 D C . 27446 1 751 . 1 1 176 176 ASP CA C 13 55.359 0.2 . 1 . . . . . 450 D CA . 27446 1 752 . 1 1 176 176 ASP CB C 13 41.427 0.2 . 1 . . . . . 450 D CB . 27446 1 753 . 1 1 176 176 ASP N N 15 119.961 0.15 . 1 . . . . . 450 D N . 27446 1 754 . 1 1 177 177 GLU H H 1 8.311 0.015 . 1 . . . . . 451 E H . 27446 1 755 . 1 1 177 177 GLU C C 13 176.427 0.2 . 1 . . . . . 451 E C . 27446 1 756 . 1 1 177 177 GLU CA C 13 57.649 0.2 . 1 . . . . . 451 E CA . 27446 1 757 . 1 1 177 177 GLU CB C 13 29.866 0.2 . 1 . . . . . 451 E CB . 27446 1 758 . 1 1 177 177 GLU N N 15 120.322 0.15 . 1 . . . . . 451 E N . 27446 1 759 . 1 1 178 178 ASN H H 1 8.326 0.015 . 1 . . . . . 452 N H . 27446 1 760 . 1 1 178 178 ASN C C 13 175.286 0.2 . 1 . . . . . 452 N C . 27446 1 761 . 1 1 178 178 ASN CA C 13 54.176 0.2 . 1 . . . . . 452 N CA . 27446 1 762 . 1 1 178 178 ASN CB C 13 39.070 0.2 . 1 . . . . . 452 N CB . 27446 1 763 . 1 1 178 178 ASN N N 15 117.546 0.15 . 1 . . . . . 452 N N . 27446 1 764 . 1 1 179 179 LEU H H 1 7.952 0.015 . 1 . . . . . 453 L H . 27446 1 765 . 1 1 179 179 LEU C C 13 176.844 0.2 . 1 . . . . . 453 L C . 27446 1 766 . 1 1 179 179 LEU CA C 13 55.781 0.2 . 1 . . . . . 453 L CA . 27446 1 767 . 1 1 179 179 LEU CB C 13 41.771 0.2 . 1 . . . . . 453 L CB . 27446 1 768 . 1 1 179 179 LEU N N 15 120.753 0.15 . 1 . . . . . 453 L N . 27446 1 769 . 1 1 180 180 TYR H H 1 7.895 0.015 . 1 . . . . . 454 Y H . 27446 1 770 . 1 1 180 180 TYR C C 13 175.257 0.2 . 1 . . . . . 454 Y C . 27446 1 771 . 1 1 180 180 TYR CA C 13 58.560 0.2 . 1 . . . . . 454 Y CA . 27446 1 772 . 1 1 180 180 TYR CB C 13 38.795 0.2 . 1 . . . . . 454 Y CB . 27446 1 773 . 1 1 180 180 TYR N N 15 119.054 0.15 . 1 . . . . . 454 Y N . 27446 1 774 . 1 1 181 181 PHE H H 1 7.901 0.015 . 1 . . . . . 455 F H . 27446 1 775 . 1 1 181 181 PHE C C 13 174.486 0.2 . 1 . . . . . 455 F C . 27446 1 776 . 1 1 181 181 PHE CA C 13 57.849 0.2 . 1 . . . . . 455 F CA . 27446 1 777 . 1 1 181 181 PHE CB C 13 39.520 0.2 . 1 . . . . . 455 F CB . 27446 1 778 . 1 1 181 181 PHE N N 15 120.250 0.15 . 1 . . . . . 455 F N . 27446 1 779 . 1 1 182 182 GLN H H 1 7.717 0.015 . 1 . . . . . 456 Q H . 27446 1 780 . 1 1 182 182 GLN C C 13 180.376 0.2 . 1 . . . . . 456 Q C . 27446 1 781 . 1 1 182 182 GLN CA C 13 57.813 0.2 . 1 . . . . . 456 Q CA . 27446 1 782 . 1 1 182 182 GLN CB C 13 30.568 0.2 . 1 . . . . . 456 Q CB . 27446 1 783 . 1 1 182 182 GLN N N 15 125.543 0.15 . 1 . . . . . 456 Q N . 27446 1 stop_ save_