data_51709 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51709 _Entry.Title ; SARS-CoV-2 Nucleocapsid 251-419 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-26 _Entry.Accession_date 2022-11-26 _Entry.Last_release_date 2022-11-28 _Entry.Original_release_date 2022-11-28 _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 Eunjeong Lee . . . . 51709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 51709 '15N chemical shifts' 128 51709 '1H chemical shifts' 128 51709 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 . . 2023-04-06 2022-11-26 update BMRB 'update entry citation' 51709 1 . . 2023-03-07 2022-11-26 original author 'original release' 51709 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51710 'SARS-CoV-2 Phosphorylated Nucleocapsid 1-209 at 35C' 51709 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51709 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36807437 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular insight into the specific interactions of the SARS-CoV-2 Nucleocapsid with RNA and host protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 32 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e4603 _Citation.Page_last e4603 _Citation.Year 2023 _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 Eunjeong Lee E. . . . 51709 1 2 Jasmina Redzic J. S. . . 51709 1 3 Anthony Saviola A. J. . . 51709 1 4 Xueni Li X. . . . 51709 1 5 Christopher Ebmeier C. C. . . 51709 1 6 Tatiana Kutateladze T. . . . 51709 1 7 'Kirk Charles' Hansen K. C. . . 51709 1 8 Rui Zhao R. . . . 51709 1 9 Natalie Ahn N. . . . 51709 1 10 Nikolai Sluchanko N. N. . . 51709 1 11 Elan Eisenmesser E. . . . 51709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51709 _Assembly.ID 1 _Assembly.Name 'Nucleocapsid 251-419' _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 'Nucleocapsid 251-419' 1 $entity_1 . . yes native no no . . . 51709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51709 _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 ; AAEASKKPRQKRTATKAYNV TQAFGRRGPEQTQGNFGDQE LIRQGTDYKHWPQIAQFAPS ASAFFGMSRIGMEVTPSGTW LTYTGAIKLDDKDPNFKDQV ILLNKHIDAYKTFPPTEPKK DKKKKADETQALPQRQKKQQ TVTLLPAADLDDFSKQLQQS MSSADSTQA ; _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 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 NA _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 1 251 ALA . 51709 1 2 252 ALA . 51709 1 3 253 GLU . 51709 1 4 254 ALA . 51709 1 5 255 SER . 51709 1 6 256 LYS . 51709 1 7 257 LYS . 51709 1 8 258 PRO . 51709 1 9 259 ARG . 51709 1 10 260 GLN . 51709 1 11 261 LYS . 51709 1 12 262 ARG . 51709 1 13 263 THR . 51709 1 14 264 ALA . 51709 1 15 265 THR . 51709 1 16 266 LYS . 51709 1 17 267 ALA . 51709 1 18 268 TYR . 51709 1 19 269 ASN . 51709 1 20 270 VAL . 51709 1 21 271 THR . 51709 1 22 272 GLN . 51709 1 23 273 ALA . 51709 1 24 274 PHE . 51709 1 25 275 GLY . 51709 1 26 276 ARG . 51709 1 27 277 ARG . 51709 1 28 278 GLY . 51709 1 29 279 PRO . 51709 1 30 280 GLU . 51709 1 31 281 GLN . 51709 1 32 282 THR . 51709 1 33 283 GLN . 51709 1 34 284 GLY . 51709 1 35 285 ASN . 51709 1 36 286 PHE . 51709 1 37 287 GLY . 51709 1 38 288 ASP . 51709 1 39 289 GLN . 51709 1 40 290 GLU . 51709 1 41 291 LEU . 51709 1 42 292 ILE . 51709 1 43 293 ARG . 51709 1 44 294 GLN . 51709 1 45 295 GLY . 51709 1 46 296 THR . 51709 1 47 297 ASP . 51709 1 48 298 TYR . 51709 1 49 299 LYS . 51709 1 50 300 HIS . 51709 1 51 301 TRP . 51709 1 52 302 PRO . 51709 1 53 303 GLN . 51709 1 54 304 ILE . 51709 1 55 305 ALA . 51709 1 56 306 GLN . 51709 1 57 307 PHE . 51709 1 58 308 ALA . 51709 1 59 309 PRO . 51709 1 60 310 SER . 51709 1 61 311 ALA . 51709 1 62 312 SER . 51709 1 63 313 ALA . 51709 1 64 314 PHE . 51709 1 65 315 PHE . 51709 1 66 316 GLY . 51709 1 67 317 MET . 51709 1 68 318 SER . 51709 1 69 319 ARG . 51709 1 70 320 ILE . 51709 1 71 321 GLY . 51709 1 72 322 MET . 51709 1 73 323 GLU . 51709 1 74 324 VAL . 51709 1 75 325 THR . 51709 1 76 326 PRO . 51709 1 77 327 SER . 51709 1 78 328 GLY . 51709 1 79 329 THR . 51709 1 80 330 TRP . 51709 1 81 331 LEU . 51709 1 82 332 THR . 51709 1 83 333 TYR . 51709 1 84 334 THR . 51709 1 85 335 GLY . 51709 1 86 336 ALA . 51709 1 87 337 ILE . 51709 1 88 338 LYS . 51709 1 89 339 LEU . 51709 1 90 340 ASP . 51709 1 91 341 ASP . 51709 1 92 342 LYS . 51709 1 93 343 ASP . 51709 1 94 344 PRO . 51709 1 95 345 ASN . 51709 1 96 346 PHE . 51709 1 97 347 LYS . 51709 1 98 348 ASP . 51709 1 99 349 GLN . 51709 1 100 350 VAL . 51709 1 101 351 ILE . 51709 1 102 352 LEU . 51709 1 103 353 LEU . 51709 1 104 354 ASN . 51709 1 105 355 LYS . 51709 1 106 356 HIS . 51709 1 107 357 ILE . 51709 1 108 358 ASP . 51709 1 109 359 ALA . 51709 1 110 360 TYR . 51709 1 111 361 LYS . 51709 1 112 362 THR . 51709 1 113 363 PHE . 51709 1 114 364 PRO . 51709 1 115 365 PRO . 51709 1 116 366 THR . 51709 1 117 367 GLU . 51709 1 118 368 PRO . 51709 1 119 369 LYS . 51709 1 120 370 LYS . 51709 1 121 371 ASP . 51709 1 122 372 LYS . 51709 1 123 373 LYS . 51709 1 124 374 LYS . 51709 1 125 375 LYS . 51709 1 126 376 ALA . 51709 1 127 377 ASP . 51709 1 128 378 GLU . 51709 1 129 379 THR . 51709 1 130 380 GLN . 51709 1 131 381 ALA . 51709 1 132 382 LEU . 51709 1 133 383 PRO . 51709 1 134 384 GLN . 51709 1 135 385 ARG . 51709 1 136 386 GLN . 51709 1 137 387 LYS . 51709 1 138 388 LYS . 51709 1 139 389 GLN . 51709 1 140 390 GLN . 51709 1 141 391 THR . 51709 1 142 392 VAL . 51709 1 143 393 THR . 51709 1 144 394 LEU . 51709 1 145 395 LEU . 51709 1 146 396 PRO . 51709 1 147 397 ALA . 51709 1 148 398 ALA . 51709 1 149 399 ASP . 51709 1 150 400 LEU . 51709 1 151 401 ASP . 51709 1 152 402 ASP . 51709 1 153 403 PHE . 51709 1 154 404 SER . 51709 1 155 405 LYS . 51709 1 156 406 GLN . 51709 1 157 407 LEU . 51709 1 158 408 GLN . 51709 1 159 409 GLN . 51709 1 160 410 SER . 51709 1 161 411 MET . 51709 1 162 412 SER . 51709 1 163 413 SER . 51709 1 164 414 ALA . 51709 1 165 415 ASP . 51709 1 166 416 SER . 51709 1 167 417 THR . 51709 1 168 418 GLN . 51709 1 169 419 ALA . 51709 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 . ALA 1 1 51709 1 . ALA 2 2 51709 1 . GLU 3 3 51709 1 . ALA 4 4 51709 1 . SER 5 5 51709 1 . LYS 6 6 51709 1 . LYS 7 7 51709 1 . PRO 8 8 51709 1 . ARG 9 9 51709 1 . GLN 10 10 51709 1 . LYS 11 11 51709 1 . ARG 12 12 51709 1 . THR 13 13 51709 1 . ALA 14 14 51709 1 . THR 15 15 51709 1 . LYS 16 16 51709 1 . ALA 17 17 51709 1 . TYR 18 18 51709 1 . ASN 19 19 51709 1 . VAL 20 20 51709 1 . THR 21 21 51709 1 . GLN 22 22 51709 1 . ALA 23 23 51709 1 . PHE 24 24 51709 1 . GLY 25 25 51709 1 . ARG 26 26 51709 1 . ARG 27 27 51709 1 . GLY 28 28 51709 1 . PRO 29 29 51709 1 . GLU 30 30 51709 1 . GLN 31 31 51709 1 . THR 32 32 51709 1 . GLN 33 33 51709 1 . GLY 34 34 51709 1 . ASN 35 35 51709 1 . PHE 36 36 51709 1 . GLY 37 37 51709 1 . ASP 38 38 51709 1 . GLN 39 39 51709 1 . GLU 40 40 51709 1 . LEU 41 41 51709 1 . ILE 42 42 51709 1 . ARG 43 43 51709 1 . GLN 44 44 51709 1 . GLY 45 45 51709 1 . THR 46 46 51709 1 . ASP 47 47 51709 1 . TYR 48 48 51709 1 . LYS 49 49 51709 1 . HIS 50 50 51709 1 . TRP 51 51 51709 1 . PRO 52 52 51709 1 . GLN 53 53 51709 1 . ILE 54 54 51709 1 . ALA 55 55 51709 1 . GLN 56 56 51709 1 . PHE 57 57 51709 1 . ALA 58 58 51709 1 . PRO 59 59 51709 1 . SER 60 60 51709 1 . ALA 61 61 51709 1 . SER 62 62 51709 1 . ALA 63 63 51709 1 . PHE 64 64 51709 1 . PHE 65 65 51709 1 . GLY 66 66 51709 1 . MET 67 67 51709 1 . SER 68 68 51709 1 . ARG 69 69 51709 1 . ILE 70 70 51709 1 . GLY 71 71 51709 1 . MET 72 72 51709 1 . GLU 73 73 51709 1 . VAL 74 74 51709 1 . THR 75 75 51709 1 . PRO 76 76 51709 1 . SER 77 77 51709 1 . GLY 78 78 51709 1 . THR 79 79 51709 1 . TRP 80 80 51709 1 . LEU 81 81 51709 1 . THR 82 82 51709 1 . TYR 83 83 51709 1 . THR 84 84 51709 1 . GLY 85 85 51709 1 . ALA 86 86 51709 1 . ILE 87 87 51709 1 . LYS 88 88 51709 1 . LEU 89 89 51709 1 . ASP 90 90 51709 1 . ASP 91 91 51709 1 . LYS 92 92 51709 1 . ASP 93 93 51709 1 . PRO 94 94 51709 1 . ASN 95 95 51709 1 . PHE 96 96 51709 1 . LYS 97 97 51709 1 . ASP 98 98 51709 1 . GLN 99 99 51709 1 . VAL 100 100 51709 1 . ILE 101 101 51709 1 . LEU 102 102 51709 1 . LEU 103 103 51709 1 . ASN 104 104 51709 1 . LYS 105 105 51709 1 . HIS 106 106 51709 1 . ILE 107 107 51709 1 . ASP 108 108 51709 1 . ALA 109 109 51709 1 . TYR 110 110 51709 1 . LYS 111 111 51709 1 . THR 112 112 51709 1 . PHE 113 113 51709 1 . PRO 114 114 51709 1 . PRO 115 115 51709 1 . THR 116 116 51709 1 . GLU 117 117 51709 1 . PRO 118 118 51709 1 . LYS 119 119 51709 1 . LYS 120 120 51709 1 . ASP 121 121 51709 1 . LYS 122 122 51709 1 . LYS 123 123 51709 1 . LYS 124 124 51709 1 . LYS 125 125 51709 1 . ALA 126 126 51709 1 . ASP 127 127 51709 1 . GLU 128 128 51709 1 . THR 129 129 51709 1 . GLN 130 130 51709 1 . ALA 131 131 51709 1 . LEU 132 132 51709 1 . PRO 133 133 51709 1 . GLN 134 134 51709 1 . ARG 135 135 51709 1 . GLN 136 136 51709 1 . LYS 137 137 51709 1 . LYS 138 138 51709 1 . GLN 139 139 51709 1 . GLN 140 140 51709 1 . THR 141 141 51709 1 . VAL 142 142 51709 1 . THR 143 143 51709 1 . LEU 144 144 51709 1 . LEU 145 145 51709 1 . PRO 146 146 51709 1 . ALA 147 147 51709 1 . ALA 148 148 51709 1 . ASP 149 149 51709 1 . LEU 150 150 51709 1 . ASP 151 151 51709 1 . ASP 152 152 51709 1 . PHE 153 153 51709 1 . SER 154 154 51709 1 . LYS 155 155 51709 1 . GLN 156 156 51709 1 . LEU 157 157 51709 1 . GLN 158 158 51709 1 . GLN 159 159 51709 1 . SER 160 160 51709 1 . MET 161 161 51709 1 . SER 162 162 51709 1 . SER 163 163 51709 1 . ALA 164 164 51709 1 . ASP 165 165 51709 1 . SER 166 166 51709 1 . THR 167 167 51709 1 . GLN 168 168 51709 1 . ALA 169 169 51709 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 51709 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 51709 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 51709 _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' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET29 . . . 51709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51709 _Sample.ID 1 _Sample.Name 'nucleocapsid CTD' _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 'Nucleocapsid 251-419' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM . . . . 51709 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51709 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51709 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 51709 _Sample_condition_list.ID 1 _Sample_condition_list.Name physiological _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51709 1 pH 7 . pH 51709 1 pressure 1 . atm 51709 1 temperature 308 . K 51709 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51709 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51709 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 51709 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51709 _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 . . . . . . . . . . . . . . . . . 51709 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51709 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51709 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51709 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 51709 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 TMS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 51709 1 H 1 TMS 'methyl proton' . . . . ppm 0 external direct 1 . . . . . 51709 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal direct 1 . . . . . 51709 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 51709 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nucleocapsid 251-419' _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' . . . 51709 1 2 '3D HNCA' . . . 51709 1 3 '3D HNCACB' . . . 51709 1 4 '3D CBCA(CO)NH' . . . 51709 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 . . 51709 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 4 4 ALA CA C 13 52.094 0.000 . 1 . . . . . 254 A CA . 51709 1 2 . 1 . 1 4 4 ALA CB C 13 18.641 0.000 . 1 . . . . . 254 A CB . 51709 1 3 . 1 . 1 5 5 SER H H 1 7.838 0.000 . 1 . . . . . 255 S HN . 51709 1 4 . 1 . 1 5 5 SER CA C 13 59.494 0.000 . 1 . . . . . 255 S CA . 51709 1 5 . 1 . 1 5 5 SER CB C 13 64.645 0.000 . 1 . . . . . 255 S CB . 51709 1 6 . 1 . 1 5 5 SER N N 15 121.858 0.000 . 1 . . . . . 255 S N . 51709 1 7 . 1 . 1 7 7 LYS H H 1 7.848 0.000 . 1 . . . . . 257 K HN . 51709 1 8 . 1 . 1 7 7 LYS N N 15 126.126 0.000 . 1 . . . . . 257 K N . 51709 1 9 . 1 . 1 8 8 PRO CA C 13 62.421 0.000 . 1 . . . . . 258 P CA . 51709 1 10 . 1 . 1 8 8 PRO CB C 13 31.770 0.000 . 1 . . . . . 258 P CB . 51709 1 11 . 1 . 1 9 9 ARG H H 1 8.926 0.000 . 1 . . . . . 259 R HN . 51709 1 12 . 1 . 1 9 9 ARG CA C 13 60.703 0.000 . 1 . . . . . 259 R CA . 51709 1 13 . 1 . 1 9 9 ARG CB C 13 30.904 0.000 . 1 . . . . . 259 R CB . 51709 1 14 . 1 . 1 9 9 ARG N N 15 124.174 0.000 . 1 . . . . . 259 R N . 51709 1 15 . 1 . 1 10 10 GLN H H 1 9.139 0.000 . 1 . . . . . 260 Q HN . 51709 1 16 . 1 . 1 10 10 GLN CA C 13 57.004 0.000 . 1 . . . . . 260 Q CA . 51709 1 17 . 1 . 1 10 10 GLN CB C 13 25.115 0.000 . 1 . . . . . 260 Q CB . 51709 1 18 . 1 . 1 10 10 GLN N N 15 111.306 0.000 . 1 . . . . . 260 Q N . 51709 1 19 . 1 . 1 11 11 LYS H H 1 8.013 0.000 . 1 . . . . . 261 K HN . 51709 1 20 . 1 . 1 11 11 LYS CA C 13 52.559 0.000 . 1 . . . . . 261 K CA . 51709 1 21 . 1 . 1 11 11 LYS CB C 13 32.338 0.000 . 1 . . . . . 261 K CB . 51709 1 22 . 1 . 1 11 11 LYS N N 15 116.845 0.000 . 1 . . . . . 261 K N . 51709 1 23 . 1 . 1 12 12 ARG H H 1 7.515 0.000 . 1 . . . . . 262 R HN . 51709 1 24 . 1 . 1 12 12 ARG CA C 13 57.330 0.000 . 1 . . . . . 262 R CA . 51709 1 25 . 1 . 1 12 12 ARG CB C 13 31.139 0.000 . 1 . . . . . 262 R CB . 51709 1 26 . 1 . 1 12 12 ARG N N 15 120.801 0.000 . 1 . . . . . 262 R N . 51709 1 27 . 1 . 1 13 13 THR H H 1 8.346 0.000 . 1 . . . . . 263 T HN . 51709 1 28 . 1 . 1 13 13 THR CA C 13 61.889 0.000 . 1 . . . . . 263 T CA . 51709 1 29 . 1 . 1 13 13 THR CB C 13 70.736 0.000 . 1 . . . . . 263 T CB . 51709 1 30 . 1 . 1 13 13 THR N N 15 117.872 0.000 . 1 . . . . . 263 T N . 51709 1 31 . 1 . 1 14 14 ALA H H 1 8.402 0.000 . 1 . . . . . 264 A HN . 51709 1 32 . 1 . 1 14 14 ALA CA C 13 50.531 0.000 . 1 . . . . . 264 A CA . 51709 1 33 . 1 . 1 14 14 ALA CB C 13 19.096 0.000 . 1 . . . . . 264 A CB . 51709 1 34 . 1 . 1 14 14 ALA N N 15 129.591 0.000 . 1 . . . . . 264 A N . 51709 1 35 . 1 . 1 15 15 THR H H 1 8.879 0.000 . 1 . . . . . 265 T HN . 51709 1 36 . 1 . 1 15 15 THR CA C 13 60.617 0.000 . 1 . . . . . 265 T CA . 51709 1 37 . 1 . 1 15 15 THR CB C 13 72.820 0.000 . 1 . . . . . 265 T CB . 51709 1 38 . 1 . 1 15 15 THR N N 15 118.189 0.000 . 1 . . . . . 265 T N . 51709 1 39 . 1 . 1 16 16 LYS H H 1 9.187 0.000 . 1 . . . . . 266 K HN . 51709 1 40 . 1 . 1 16 16 LYS CA C 13 58.553 0.000 . 1 . . . . . 266 K CA . 51709 1 41 . 1 . 1 16 16 LYS CB C 13 31.426 0.000 . 1 . . . . . 266 K CB . 51709 1 42 . 1 . 1 16 16 LYS N N 15 118.949 0.000 . 1 . . . . . 266 K N . 51709 1 43 . 1 . 1 17 17 ALA H H 1 7.573 0.000 . 1 . . . . . 267 A HN . 51709 1 44 . 1 . 1 17 17 ALA CA C 13 52.222 0.000 . 1 . . . . . 267 A CA . 51709 1 45 . 1 . 1 17 17 ALA CB C 13 18.883 0.000 . 1 . . . . . 267 A CB . 51709 1 46 . 1 . 1 17 17 ALA N N 15 119.580 0.000 . 1 . . . . . 267 A N . 51709 1 47 . 1 . 1 18 18 TYR H H 1 7.270 0.000 . 1 . . . . . 268 Y HN . 51709 1 48 . 1 . 1 18 18 TYR CA C 13 55.884 0.000 . 1 . . . . . 268 Y CA . 51709 1 49 . 1 . 1 18 18 TYR CB C 13 36.573 0.000 . 1 . . . . . 268 Y CB . 51709 1 50 . 1 . 1 18 18 TYR N N 15 125.228 0.000 . 1 . . . . . 268 Y N . 51709 1 51 . 1 . 1 19 19 ASN H H 1 8.128 0.000 . 1 . . . . . 269 N HN . 51709 1 52 . 1 . 1 19 19 ASN CA C 13 53.475 0.000 . 1 . . . . . 269 N CA . 51709 1 53 . 1 . 1 19 19 ASN CB C 13 37.417 0.000 . 1 . . . . . 269 N CB . 51709 1 54 . 1 . 1 19 19 ASN N N 15 123.420 0.000 . 1 . . . . . 269 N N . 51709 1 55 . 1 . 1 20 20 VAL H H 1 7.945 0.000 . 1 . . . . . 270 V HN . 51709 1 56 . 1 . 1 20 20 VAL CA C 13 66.453 0.000 . 1 . . . . . 270 V CA . 51709 1 57 . 1 . 1 20 20 VAL CB C 13 30.666 0.000 . 1 . . . . . 270 V CB . 51709 1 58 . 1 . 1 20 20 VAL N N 15 113.541 0.000 . 1 . . . . . 270 V N . 51709 1 59 . 1 . 1 21 21 THR H H 1 7.161 0.000 . 1 . . . . . 271 T HN . 51709 1 60 . 1 . 1 21 21 THR CA C 13 64.837 0.000 . 1 . . . . . 271 T CA . 51709 1 61 . 1 . 1 21 21 THR CB C 13 67.327 0.000 . 1 . . . . . 271 T CB . 51709 1 62 . 1 . 1 21 21 THR N N 15 115.957 0.000 . 1 . . . . . 271 T N . 51709 1 63 . 1 . 1 22 22 GLN H H 1 7.810 0.000 . 1 . . . . . 272 Q HN . 51709 1 64 . 1 . 1 22 22 GLN CA C 13 58.256 0.000 . 1 . . . . . 272 Q CA . 51709 1 65 . 1 . 1 22 22 GLN CB C 13 28.160 0.000 . 1 . . . . . 272 Q CB . 51709 1 66 . 1 . 1 22 22 GLN N N 15 122.868 0.000 . 1 . . . . . 272 Q N . 51709 1 67 . 1 . 1 23 23 ALA H H 1 8.110 0.000 . 1 . . . . . 273 A HN . 51709 1 68 . 1 . 1 23 23 ALA CA C 13 53.688 0.000 . 1 . . . . . 273 A CA . 51709 1 69 . 1 . 1 23 23 ALA CB C 13 17.145 0.000 . 1 . . . . . 273 A CB . 51709 1 70 . 1 . 1 23 23 ALA N N 15 119.780 0.000 . 1 . . . . . 273 A N . 51709 1 71 . 1 . 1 24 24 PHE H H 1 8.199 0.000 . 1 . . . . . 274 F HN . 51709 1 72 . 1 . 1 24 24 PHE CA C 13 55.833 0.000 . 1 . . . . . 274 F CA . 51709 1 73 . 1 . 1 24 24 PHE CB C 13 40.333 0.000 . 1 . . . . . 274 F CB . 51709 1 74 . 1 . 1 24 24 PHE N N 15 111.180 0.000 . 1 . . . . . 274 F N . 51709 1 75 . 1 . 1 25 25 GLY H H 1 7.712 0.000 . 1 . . . . . 275 G HN . 51709 1 76 . 1 . 1 25 25 GLY CA C 13 43.841 0.000 . 1 . . . . . 275 G CA . 51709 1 77 . 1 . 1 25 25 GLY N N 15 111.554 0.000 . 1 . . . . . 275 G N . 51709 1 78 . 1 . 1 26 26 ARG CA C 13 56.406 0.000 . 1 . . . . . 276 R CA . 51709 1 79 . 1 . 1 26 26 ARG CB C 13 29.492 0.000 . 1 . . . . . 276 R CB . 51709 1 80 . 1 . 1 27 27 ARG H H 1 8.583 0.000 . 1 . . . . . 277 R HN . 51709 1 81 . 1 . 1 27 27 ARG CA C 13 54.408 0.000 . 1 . . . . . 277 R CA . 51709 1 82 . 1 . 1 27 27 ARG CB C 13 33.265 0.000 . 1 . . . . . 277 R CB . 51709 1 83 . 1 . 1 27 27 ARG N N 15 124.808 0.000 . 1 . . . . . 277 R N . 51709 1 84 . 1 . 1 28 28 GLY H H 1 7.571 0.000 . 1 . . . . . 278 G HN . 51709 1 85 . 1 . 1 28 28 GLY CA C 13 45.243 0.000 . 1 . . . . . 278 G CA . 51709 1 86 . 1 . 1 28 28 GLY N N 15 107.646 0.000 . 1 . . . . . 278 G N . 51709 1 87 . 1 . 1 29 29 PRO CA C 13 62.934 0.000 . 1 . . . . . 279 P CA . 51709 1 88 . 1 . 1 29 29 PRO CB C 13 32.558 0.000 . 1 . . . . . 279 P CB . 51709 1 89 . 1 . 1 30 30 GLU H H 1 8.262 0.000 . 1 . . . . . 280 E HN . 51709 1 90 . 1 . 1 30 30 GLU CA C 13 56.301 0.000 . 1 . . . . . 280 E CA . 51709 1 91 . 1 . 1 30 30 GLU CB C 13 28.920 0.000 . 1 . . . . . 280 E CB . 51709 1 92 . 1 . 1 30 30 GLU N N 15 121.141 0.000 . 1 . . . . . 280 E N . 51709 1 93 . 1 . 1 31 31 GLN H H 1 8.722 0.000 . 1 . . . . . 281 Q HN . 51709 1 94 . 1 . 1 31 31 GLN CA C 13 58.216 0.000 . 1 . . . . . 281 Q CA . 51709 1 95 . 1 . 1 31 31 GLN CB C 13 27.860 0.000 . 1 . . . . . 281 Q CB . 51709 1 96 . 1 . 1 31 31 GLN N N 15 119.830 0.000 . 1 . . . . . 281 Q N . 51709 1 97 . 1 . 1 32 32 THR H H 1 7.058 0.000 . 1 . . . . . 282 T HN . 51709 1 98 . 1 . 1 32 32 THR CA C 13 60.817 0.000 . 1 . . . . . 282 T CA . 51709 1 99 . 1 . 1 32 32 THR CB C 13 68.270 0.000 . 1 . . . . . 282 T CB . 51709 1 100 . 1 . 1 32 32 THR N N 15 103.582 0.000 . 1 . . . . . 282 T N . 51709 1 101 . 1 . 1 33 33 GLN H H 1 7.801 0.000 . 1 . . . . . 283 Q HN . 51709 1 102 . 1 . 1 33 33 GLN CA C 13 53.895 0.000 . 1 . . . . . 283 Q CA . 51709 1 103 . 1 . 1 33 33 GLN CB C 13 30.594 0.000 . 1 . . . . . 283 Q CB . 51709 1 104 . 1 . 1 33 33 GLN N N 15 123.447 0.000 . 1 . . . . . 283 Q N . 51709 1 105 . 1 . 1 34 34 GLY H H 1 8.391 0.000 . 1 . . . . . 284 G HN . 51709 1 106 . 1 . 1 34 34 GLY CA C 13 44.748 0.000 . 1 . . . . . 284 G CA . 51709 1 107 . 1 . 1 34 34 GLY N N 15 107.853 0.000 . 1 . . . . . 284 G N . 51709 1 108 . 1 . 1 35 35 ASN H H 1 7.928 0.000 . 1 . . . . . 285 N HN . 51709 1 109 . 1 . 1 35 35 ASN CA C 13 52.023 0.000 . 1 . . . . . 285 N CA . 51709 1 110 . 1 . 1 35 35 ASN CB C 13 38.621 0.000 . 1 . . . . . 285 N CB . 51709 1 111 . 1 . 1 35 35 ASN N N 15 116.431 0.000 . 1 . . . . . 285 N N . 51709 1 112 . 1 . 1 36 36 PHE H H 1 9.713 0.000 . 1 . . . . . 286 F HN . 51709 1 113 . 1 . 1 36 36 PHE CA C 13 59.357 0.000 . 1 . . . . . 286 F CA . 51709 1 114 . 1 . 1 36 36 PHE CB C 13 41.314 0.000 . 1 . . . . . 286 F CB . 51709 1 115 . 1 . 1 36 36 PHE N N 15 129.664 0.000 . 1 . . . . . 286 F N . 51709 1 116 . 1 . 1 37 37 GLY H H 1 9.228 0.000 . 1 . . . . . 287 G HN . 51709 1 117 . 1 . 1 37 37 GLY CA C 13 44.094 0.000 . 1 . . . . . 287 G CA . 51709 1 118 . 1 . 1 37 37 GLY N N 15 119.973 0.000 . 1 . . . . . 287 G N . 51709 1 119 . 1 . 1 38 38 ASP H H 1 10.642 0.000 . 1 . . . . . 288 D HN . 51709 1 120 . 1 . 1 38 38 ASP CA C 13 52.149 0.000 . 1 . . . . . 288 D CA . 51709 1 121 . 1 . 1 38 38 ASP CB C 13 38.466 0.000 . 1 . . . . . 288 D CB . 51709 1 122 . 1 . 1 38 38 ASP N N 15 132.879 0.000 . 1 . . . . . 288 D N . 51709 1 123 . 1 . 1 39 39 GLN H H 1 8.267 0.000 . 1 . . . . . 289 Q HN . 51709 1 124 . 1 . 1 39 39 GLN CA C 13 59.452 0.000 . 1 . . . . . 289 Q CA . 51709 1 125 . 1 . 1 39 39 GLN CB C 13 28.176 0.000 . 1 . . . . . 289 Q CB . 51709 1 126 . 1 . 1 39 39 GLN N N 15 113.770 0.000 . 1 . . . . . 289 Q N . 51709 1 127 . 1 . 1 40 40 GLU H H 1 7.507 0.000 . 1 . . . . . 290 E HN . 51709 1 128 . 1 . 1 40 40 GLU CA C 13 58.656 0.000 . 1 . . . . . 290 E CA . 51709 1 129 . 1 . 1 40 40 GLU CB C 13 29.516 0.000 . 1 . . . . . 290 E CB . 51709 1 130 . 1 . 1 40 40 GLU N N 15 119.564 0.000 . 1 . . . . . 290 E N . 51709 1 131 . 1 . 1 41 41 LEU H H 1 8.396 0.000 . 1 . . . . . 291 L HN . 51709 1 132 . 1 . 1 41 41 LEU CA C 13 58.315 0.000 . 1 . . . . . 291 L CA . 51709 1 133 . 1 . 1 41 41 LEU CB C 13 39.860 0.000 . 1 . . . . . 291 L CB . 51709 1 134 . 1 . 1 41 41 LEU N N 15 121.224 0.000 . 1 . . . . . 291 L N . 51709 1 135 . 1 . 1 43 43 ARG H H 1 7.194 0.000 . 1 . . . . . 293 R HN . 51709 1 136 . 1 . 1 43 43 ARG CA C 13 57.685 0.000 . 1 . . . . . 293 R CA . 51709 1 137 . 1 . 1 43 43 ARG N N 15 115.569 0.000 . 1 . . . . . 293 R N . 51709 1 138 . 1 . 1 44 44 GLN H H 1 7.670 0.000 . 1 . . . . . 294 Q HN . 51709 1 139 . 1 . 1 44 44 GLN CA C 13 55.548 0.000 . 1 . . . . . 294 Q CA . 51709 1 140 . 1 . 1 44 44 GLN CB C 13 30.296 0.000 . 1 . . . . . 294 Q CB . 51709 1 141 . 1 . 1 44 44 GLN N N 15 114.697 0.000 . 1 . . . . . 294 Q N . 51709 1 142 . 1 . 1 45 45 GLY H H 1 9.273 0.000 . 1 . . . . . 295 G HN . 51709 1 143 . 1 . 1 45 45 GLY CA C 13 46.063 0.000 . 1 . . . . . 295 G CA . 51709 1 144 . 1 . 1 45 45 GLY N N 15 110.247 0.000 . 1 . . . . . 295 G N . 51709 1 145 . 1 . 1 46 46 THR H H 1 8.323 0.000 . 1 . . . . . 296 T HN . 51709 1 146 . 1 . 1 46 46 THR CA C 13 62.950 0.000 . 1 . . . . . 296 T CA . 51709 1 147 . 1 . 1 46 46 THR CB C 13 68.610 0.000 . 1 . . . . . 296 T CB . 51709 1 148 . 1 . 1 46 46 THR N N 15 116.177 0.000 . 1 . . . . . 296 T N . 51709 1 149 . 1 . 1 47 47 ASP H H 1 7.993 0.000 . 1 . . . . . 297 D HN . 51709 1 150 . 1 . 1 47 47 ASP CA C 13 55.163 0.000 . 1 . . . . . 297 D CA . 51709 1 151 . 1 . 1 47 47 ASP CB C 13 40.578 0.000 . 1 . . . . . 297 D CB . 51709 1 152 . 1 . 1 47 47 ASP N N 15 119.585 0.000 . 1 . . . . . 297 D N . 51709 1 153 . 1 . 1 48 48 TYR H H 1 7.959 0.000 . 1 . . . . . 298 Y HN . 51709 1 154 . 1 . 1 48 48 TYR CA C 13 56.359 0.000 . 1 . . . . . 298 Y CA . 51709 1 155 . 1 . 1 48 48 TYR CB C 13 40.095 0.000 . 1 . . . . . 298 Y CB . 51709 1 156 . 1 . 1 48 48 TYR N N 15 123.794 0.000 . 1 . . . . . 298 Y N . 51709 1 157 . 1 . 1 49 49 LYS H H 1 8.911 0.000 . 1 . . . . . 299 K HN . 51709 1 158 . 1 . 1 49 49 LYS CA C 13 58.694 0.000 . 1 . . . . . 299 K CA . 51709 1 159 . 1 . 1 49 49 LYS N N 15 131.072 0.000 . 1 . . . . . 299 K N . 51709 1 160 . 1 . 1 51 51 TRP H H 1 8.159 0.000 . 1 . . . . . 301 W HN . 51709 1 161 . 1 . 1 51 51 TRP N N 15 122.009 0.000 . 1 . . . . . 301 W N . 51709 1 162 . 1 . 1 52 52 PRO CA C 13 66.023 0.000 . 1 . . . . . 302 P CA . 51709 1 163 . 1 . 1 52 52 PRO CB C 13 29.703 0.000 . 1 . . . . . 302 P CB . 51709 1 164 . 1 . 1 53 53 GLN H H 1 7.205 0.000 . 1 . . . . . 303 Q HN . 51709 1 165 . 1 . 1 53 53 GLN CA C 13 58.053 0.000 . 1 . . . . . 303 Q CA . 51709 1 166 . 1 . 1 53 53 GLN CB C 13 27.947 0.000 . 1 . . . . . 303 Q CB . 51709 1 167 . 1 . 1 53 53 GLN N N 15 114.526 0.000 . 1 . . . . . 303 Q N . 51709 1 168 . 1 . 1 54 54 ILE H H 1 7.202 0.000 . 1 . . . . . 304 I HN . 51709 1 169 . 1 . 1 54 54 ILE CA C 13 63.389 0.000 . 1 . . . . . 304 I CA . 51709 1 170 . 1 . 1 54 54 ILE CB C 13 37.172 0.000 . 1 . . . . . 304 I CB . 51709 1 171 . 1 . 1 54 54 ILE N N 15 120.225 0.000 . 1 . . . . . 304 I N . 51709 1 172 . 1 . 1 55 55 ALA H H 1 7.884 0.000 . 1 . . . . . 305 A HN . 51709 1 173 . 1 . 1 55 55 ALA CA C 13 54.014 0.000 . 1 . . . . . 305 A CA . 51709 1 174 . 1 . 1 55 55 ALA CB C 13 16.286 0.000 . 1 . . . . . 305 A CB . 51709 1 175 . 1 . 1 55 55 ALA N N 15 119.157 0.000 . 1 . . . . . 305 A N . 51709 1 176 . 1 . 1 56 56 GLN H H 1 6.675 0.000 . 1 . . . . . 306 Q HN . 51709 1 177 . 1 . 1 56 56 GLN CA C 13 56.859 0.000 . 1 . . . . . 306 Q CA . 51709 1 178 . 1 . 1 56 56 GLN CB C 13 26.984 0.000 . 1 . . . . . 306 Q CB . 51709 1 179 . 1 . 1 56 56 GLN N N 15 116.286 0.000 . 1 . . . . . 306 Q N . 51709 1 180 . 1 . 1 57 57 PHE H H 1 7.768 0.000 . 1 . . . . . 307 F HN . 51709 1 181 . 1 . 1 57 57 PHE CA C 13 58.593 0.000 . 1 . . . . . 307 F CA . 51709 1 182 . 1 . 1 57 57 PHE CB C 13 39.476 0.000 . 1 . . . . . 307 F CB . 51709 1 183 . 1 . 1 57 57 PHE N N 15 118.119 0.000 . 1 . . . . . 307 F N . 51709 1 184 . 1 . 1 58 58 ALA H H 1 7.219 0.000 . 1 . . . . . 308 A HN . 51709 1 185 . 1 . 1 58 58 ALA CA C 13 48.357 0.000 . 1 . . . . . 308 A CA . 51709 1 186 . 1 . 1 58 58 ALA CB C 13 17.095 0.000 . 1 . . . . . 308 A CB . 51709 1 187 . 1 . 1 58 58 ALA N N 15 119.085 0.000 . 1 . . . . . 308 A N . 51709 1 188 . 1 . 1 59 59 PRO CA C 13 60.661 0.000 . 1 . . . . . 309 P CA . 51709 1 189 . 1 . 1 59 59 PRO CB C 13 30.697 0.000 . 1 . . . . . 309 P CB . 51709 1 190 . 1 . 1 60 60 SER H H 1 8.759 0.000 . 1 . . . . . 310 S HN . 51709 1 191 . 1 . 1 60 60 SER CA C 13 56.683 0.000 . 1 . . . . . 310 S CA . 51709 1 192 . 1 . 1 60 60 SER CB C 13 64.911 0.000 . 1 . . . . . 310 S CB . 51709 1 193 . 1 . 1 60 60 SER N N 15 119.036 0.000 . 1 . . . . . 310 S N . 51709 1 194 . 1 . 1 61 61 ALA H H 1 8.204 0.000 . 1 . . . . . 311 A HN . 51709 1 195 . 1 . 1 61 61 ALA CA C 13 55.776 0.000 . 1 . . . . . 311 A CA . 51709 1 196 . 1 . 1 61 61 ALA CB C 13 17.929 0.000 . 1 . . . . . 311 A CB . 51709 1 197 . 1 . 1 61 61 ALA N N 15 125.005 0.000 . 1 . . . . . 311 A N . 51709 1 198 . 1 . 1 62 62 SER H H 1 8.720 0.000 . 1 . . . . . 312 S HN . 51709 1 199 . 1 . 1 62 62 SER CA C 13 60.586 0.000 . 1 . . . . . 312 S CA . 51709 1 200 . 1 . 1 62 62 SER CB C 13 64.671 0.000 . 1 . . . . . 312 S CB . 51709 1 201 . 1 . 1 62 62 SER N N 15 110.419 0.000 . 1 . . . . . 312 S N . 51709 1 202 . 1 . 1 63 63 ALA H H 1 8.294 0.000 . 1 . . . . . 313 A HN . 51709 1 203 . 1 . 1 63 63 ALA CA C 13 54.270 0.000 . 1 . . . . . 313 A CA . 51709 1 204 . 1 . 1 63 63 ALA CB C 13 18.668 0.000 . 1 . . . . . 313 A CB . 51709 1 205 . 1 . 1 63 63 ALA N N 15 123.421 0.000 . 1 . . . . . 313 A N . 51709 1 206 . 1 . 1 64 64 PHE H H 1 9.550 0.000 . 1 . . . . . 314 F HN . 51709 1 207 . 1 . 1 64 64 PHE CA C 13 62.251 0.000 . 1 . . . . . 314 F CA . 51709 1 208 . 1 . 1 64 64 PHE CB C 13 37.966 0.000 . 1 . . . . . 314 F CB . 51709 1 209 . 1 . 1 64 64 PHE N N 15 122.909 0.000 . 1 . . . . . 314 F N . 51709 1 210 . 1 . 1 65 65 PHE H H 1 7.458 0.000 . 1 . . . . . 315 F HN . 51709 1 211 . 1 . 1 65 65 PHE CA C 13 61.698 0.000 . 1 . . . . . 315 F CA . 51709 1 212 . 1 . 1 65 65 PHE CB C 13 38.596 0.000 . 1 . . . . . 315 F CB . 51709 1 213 . 1 . 1 65 65 PHE N N 15 113.504 0.000 . 1 . . . . . 315 F N . 51709 1 214 . 1 . 1 66 66 GLY H H 1 8.317 0.000 . 1 . . . . . 316 G HN . 51709 1 215 . 1 . 1 66 66 GLY CA C 13 45.587 0.000 . 1 . . . . . 316 G CA . 51709 1 216 . 1 . 1 66 66 GLY N N 15 113.832 0.000 . 1 . . . . . 316 G N . 51709 1 217 . 1 . 1 67 67 MET H H 1 8.861 0.000 . 1 . . . . . 317 M HN . 51709 1 218 . 1 . 1 67 67 MET CA C 13 56.325 0.000 . 1 . . . . . 317 M CA . 51709 1 219 . 1 . 1 67 67 MET CB C 13 34.298 0.000 . 1 . . . . . 317 M CB . 51709 1 220 . 1 . 1 67 67 MET N N 15 118.432 0.000 . 1 . . . . . 317 M N . 51709 1 221 . 1 . 1 68 68 SER H H 1 6.169 0.000 . 1 . . . . . 318 S HN . 51709 1 222 . 1 . 1 68 68 SER CA C 13 58.390 0.000 . 1 . . . . . 318 S CA . 51709 1 223 . 1 . 1 68 68 SER CB C 13 63.328 0.000 . 1 . . . . . 318 S CB . 51709 1 224 . 1 . 1 68 68 SER N N 15 109.566 0.000 . 1 . . . . . 318 S N . 51709 1 225 . 1 . 1 69 69 ARG H H 1 9.423 0.000 . 1 . . . . . 319 R HN . 51709 1 226 . 1 . 1 69 69 ARG CA C 13 55.341 0.000 . 1 . . . . . 319 R CA . 51709 1 227 . 1 . 1 69 69 ARG CB C 13 26.674 0.000 . 1 . . . . . 319 R CB . 51709 1 228 . 1 . 1 69 69 ARG N N 15 123.177 0.000 . 1 . . . . . 319 R N . 51709 1 229 . 1 . 1 70 70 ILE H H 1 9.883 0.000 . 1 . . . . . 320 I HN . 51709 1 230 . 1 . 1 70 70 ILE CA C 13 56.811 0.000 . 1 . . . . . 320 I CA . 51709 1 231 . 1 . 1 70 70 ILE CB C 13 37.796 0.000 . 1 . . . . . 320 I CB . 51709 1 232 . 1 . 1 70 70 ILE N N 15 131.002 0.000 . 1 . . . . . 320 I N . 51709 1 233 . 1 . 1 71 71 GLY H H 1 8.654 0.000 . 1 . . . . . 321 G HN . 51709 1 234 . 1 . 1 71 71 GLY CA C 13 43.861 0.000 . 1 . . . . . 321 G CA . 51709 1 235 . 1 . 1 71 71 GLY N N 15 116.674 0.000 . 1 . . . . . 321 G N . 51709 1 236 . 1 . 1 72 72 MET H H 1 8.363 0.000 . 1 . . . . . 322 M HN . 51709 1 237 . 1 . 1 72 72 MET CA C 13 54.141 0.000 . 1 . . . . . 322 M CA . 51709 1 238 . 1 . 1 72 72 MET CB C 13 35.582 0.000 . 1 . . . . . 322 M CB . 51709 1 239 . 1 . 1 72 72 MET N N 15 119.032 0.000 . 1 . . . . . 322 M N . 51709 1 240 . 1 . 1 73 73 GLU H H 1 9.406 0.000 . 1 . . . . . 323 E HN . 51709 1 241 . 1 . 1 73 73 GLU CA C 13 54.443 0.000 . 1 . . . . . 323 E CA . 51709 1 242 . 1 . 1 73 73 GLU CB C 13 32.120 0.000 . 1 . . . . . 323 E CB . 51709 1 243 . 1 . 1 73 73 GLU N N 15 126.492 0.000 . 1 . . . . . 323 E N . 51709 1 244 . 1 . 1 74 74 VAL H H 1 8.686 0.000 . 1 . . . . . 324 V HN . 51709 1 245 . 1 . 1 74 74 VAL CA C 13 61.872 0.000 . 1 . . . . . 324 V CA . 51709 1 246 . 1 . 1 74 74 VAL CB C 13 32.004 0.000 . 1 . . . . . 324 V CB . 51709 1 247 . 1 . 1 74 74 VAL N N 15 126.541 0.000 . 1 . . . . . 324 V N . 51709 1 248 . 1 . 1 75 75 THR H H 1 9.127 0.000 . 1 . . . . . 325 T HN . 51709 1 249 . 1 . 1 75 75 THR CA C 13 58.753 0.000 . 1 . . . . . 325 T CA . 51709 1 250 . 1 . 1 75 75 THR CB C 13 69.213 0.000 . 1 . . . . . 325 T CB . 51709 1 251 . 1 . 1 75 75 THR N N 15 121.386 0.000 . 1 . . . . . 325 T N . 51709 1 252 . 1 . 1 77 77 SER CA C 13 57.516 0.000 . 1 . . . . . 327 S CA . 51709 1 253 . 1 . 1 77 77 SER CB C 13 63.817 0.000 . 1 . . . . . 327 S CB . 51709 1 254 . 1 . 1 78 78 GLY H H 1 7.856 0.000 . 1 . . . . . 328 G HN . 51709 1 255 . 1 . 1 78 78 GLY CA C 13 44.807 0.000 . 1 . . . . . 328 G CA . 51709 1 256 . 1 . 1 78 78 GLY N N 15 111.252 0.000 . 1 . . . . . 328 G N . 51709 1 257 . 1 . 1 79 79 THR H H 1 8.952 0.000 . 1 . . . . . 329 T HN . 51709 1 258 . 1 . 1 79 79 THR CA C 13 62.777 0.000 . 1 . . . . . 329 T CA . 51709 1 259 . 1 . 1 79 79 THR CB C 13 69.886 0.000 . 1 . . . . . 329 T CB . 51709 1 260 . 1 . 1 79 79 THR N N 15 119.902 0.000 . 1 . . . . . 329 T N . 51709 1 261 . 1 . 1 80 80 TRP H H 1 9.364 0.000 . 1 . . . . . 330 W HN . 51709 1 262 . 1 . 1 80 80 TRP CA C 13 55.388 0.000 . 1 . . . . . 330 W CA . 51709 1 263 . 1 . 1 80 80 TRP CB C 13 31.739 0.000 . 1 . . . . . 330 W CB . 51709 1 264 . 1 . 1 80 80 TRP N N 15 126.450 0.000 . 1 . . . . . 330 W N . 51709 1 265 . 1 . 1 81 81 LEU H H 1 9.477 0.000 . 1 . . . . . 331 L HN . 51709 1 266 . 1 . 1 81 81 LEU CA C 13 53.526 0.000 . 1 . . . . . 331 L CA . 51709 1 267 . 1 . 1 81 81 LEU CB C 13 43.302 0.000 . 1 . . . . . 331 L CB . 51709 1 268 . 1 . 1 81 81 LEU N N 15 126.572 0.000 . 1 . . . . . 331 L N . 51709 1 269 . 1 . 1 82 82 THR H H 1 9.233 0.000 . 1 . . . . . 332 T HN . 51709 1 270 . 1 . 1 82 82 THR CA C 13 59.832 0.000 . 1 . . . . . 332 T CA . 51709 1 271 . 1 . 1 82 82 THR CB C 13 69.681 0.000 . 1 . . . . . 332 T CB . 51709 1 272 . 1 . 1 82 82 THR N N 15 120.671 0.000 . 1 . . . . . 332 T N . 51709 1 273 . 1 . 1 83 83 TYR H H 1 8.122 0.000 . 1 . . . . . 333 Y HN . 51709 1 274 . 1 . 1 83 83 TYR CA C 13 54.846 0.000 . 1 . . . . . 333 Y CA . 51709 1 275 . 1 . 1 83 83 TYR CB C 13 41.576 0.000 . 1 . . . . . 333 Y CB . 51709 1 276 . 1 . 1 83 83 TYR N N 15 116.137 0.000 . 1 . . . . . 333 Y N . 51709 1 277 . 1 . 1 84 84 THR H H 1 8.121 0.000 . 1 . . . . . 334 T HN . 51709 1 278 . 1 . 1 84 84 THR CA C 13 59.730 0.000 . 1 . . . . . 334 T CA . 51709 1 279 . 1 . 1 84 84 THR CB C 13 71.164 0.000 . 1 . . . . . 334 T CB . 51709 1 280 . 1 . 1 84 84 THR N N 15 114.516 0.000 . 1 . . . . . 334 T N . 51709 1 281 . 1 . 1 85 85 GLY H H 1 7.818 0.000 . 1 . . . . . 335 G HN . 51709 1 282 . 1 . 1 85 85 GLY CA C 13 45.095 0.000 . 1 . . . . . 335 G CA . 51709 1 283 . 1 . 1 85 85 GLY N N 15 111.957 0.000 . 1 . . . . . 335 G N . 51709 1 284 . 1 . 1 86 86 ALA H H 1 8.261 0.000 . 1 . . . . . 336 A HN . 51709 1 285 . 1 . 1 86 86 ALA CA C 13 51.271 0.000 . 1 . . . . . 336 A CA . 51709 1 286 . 1 . 1 86 86 ALA CB C 13 21.930 0.000 . 1 . . . . . 336 A CB . 51709 1 287 . 1 . 1 86 86 ALA N N 15 122.096 0.000 . 1 . . . . . 336 A N . 51709 1 288 . 1 . 1 87 87 ILE H H 1 9.794 0.000 . 1 . . . . . 337 I HN . 51709 1 289 . 1 . 1 87 87 ILE CA C 13 60.020 0.000 . 1 . . . . . 337 I CA . 51709 1 290 . 1 . 1 87 87 ILE CB C 13 41.315 0.000 . 1 . . . . . 337 I CB . 51709 1 291 . 1 . 1 87 87 ILE N N 15 124.126 0.000 . 1 . . . . . 337 I N . 51709 1 292 . 1 . 1 88 88 LYS H H 1 8.798 0.000 . 1 . . . . . 338 K HN . 51709 1 293 . 1 . 1 88 88 LYS CA C 13 56.585 0.000 . 1 . . . . . 338 K CA . 51709 1 294 . 1 . 1 88 88 LYS CB C 13 32.075 0.000 . 1 . . . . . 338 K CB . 51709 1 295 . 1 . 1 88 88 LYS N N 15 131.729 0.000 . 1 . . . . . 338 K N . 51709 1 296 . 1 . 1 89 89 LEU H H 1 8.636 0.000 . 1 . . . . . 339 L HN . 51709 1 297 . 1 . 1 89 89 LEU CA C 13 55.932 0.000 . 1 . . . . . 339 L CA . 51709 1 298 . 1 . 1 89 89 LEU CB C 13 41.243 0.000 . 1 . . . . . 339 L CB . 51709 1 299 . 1 . 1 89 89 LEU N N 15 131.082 0.000 . 1 . . . . . 339 L N . 51709 1 300 . 1 . 1 90 90 ASP H H 1 9.038 0.000 . 1 . . . . . 340 D HN . 51709 1 301 . 1 . 1 90 90 ASP CA C 13 52.894 0.000 . 1 . . . . . 340 D CA . 51709 1 302 . 1 . 1 90 90 ASP CB C 13 40.234 0.000 . 1 . . . . . 340 D CB . 51709 1 303 . 1 . 1 90 90 ASP N N 15 122.359 0.000 . 1 . . . . . 340 D N . 51709 1 304 . 1 . 1 91 91 ASP H H 1 7.749 0.000 . 1 . . . . . 341 D HN . 51709 1 305 . 1 . 1 91 91 ASP CA C 13 53.899 0.000 . 1 . . . . . 341 D CA . 51709 1 306 . 1 . 1 91 91 ASP CB C 13 38.784 0.000 . 1 . . . . . 341 D CB . 51709 1 307 . 1 . 1 91 91 ASP N N 15 124.604 0.000 . 1 . . . . . 341 D N . 51709 1 308 . 1 . 1 92 92 LYS H H 1 8.033 0.000 . 1 . . . . . 342 K HN . 51709 1 309 . 1 . 1 92 92 LYS CA C 13 54.841 0.000 . 1 . . . . . 342 K CA . 51709 1 310 . 1 . 1 92 92 LYS CB C 13 30.679 0.000 . 1 . . . . . 342 K CB . 51709 1 311 . 1 . 1 92 92 LYS N N 15 118.236 0.000 . 1 . . . . . 342 K N . 51709 1 312 . 1 . 1 93 93 ASP H H 1 7.385 0.000 . 1 . . . . . 343 D HN . 51709 1 313 . 1 . 1 93 93 ASP CA C 13 52.002 0.000 . 1 . . . . . 343 D CA . 51709 1 314 . 1 . 1 93 93 ASP CB C 13 42.279 0.000 . 1 . . . . . 343 D CB . 51709 1 315 . 1 . 1 93 93 ASP N N 15 125.150 0.000 . 1 . . . . . 343 D N . 51709 1 316 . 1 . 1 94 94 PRO CA C 13 64.450 0.000 . 1 . . . . . 344 P CA . 51709 1 317 . 1 . 1 94 94 PRO CB C 13 31.310 0.000 . 1 . . . . . 344 P CB . 51709 1 318 . 1 . 1 95 95 ASN H H 1 9.372 0.000 . 1 . . . . . 345 N HN . 51709 1 319 . 1 . 1 95 95 ASN CA C 13 52.980 0.000 . 1 . . . . . 345 N CA . 51709 1 320 . 1 . 1 95 95 ASN CB C 13 38.590 0.000 . 1 . . . . . 345 N CB . 51709 1 321 . 1 . 1 95 95 ASN N N 15 116.775 0.000 . 1 . . . . . 345 N N . 51709 1 322 . 1 . 1 96 96 PHE H H 1 8.185 0.000 . 1 . . . . . 346 F HN . 51709 1 323 . 1 . 1 96 96 PHE CA C 13 60.737 0.000 . 1 . . . . . 346 F CA . 51709 1 324 . 1 . 1 96 96 PHE CB C 13 38.943 0.000 . 1 . . . . . 346 F CB . 51709 1 325 . 1 . 1 96 96 PHE N N 15 123.348 0.000 . 1 . . . . . 346 F N . 51709 1 326 . 1 . 1 97 97 LYS H H 1 8.514 0.000 . 1 . . . . . 347 K HN . 51709 1 327 . 1 . 1 97 97 LYS CA C 13 59.340 0.000 . 1 . . . . . 347 K CA . 51709 1 328 . 1 . 1 97 97 LYS CB C 13 30.513 0.000 . 1 . . . . . 347 K CB . 51709 1 329 . 1 . 1 97 97 LYS N N 15 117.296 0.000 . 1 . . . . . 347 K N . 51709 1 330 . 1 . 1 98 98 ASP H H 1 7.435 0.000 . 1 . . . . . 348 D HN . 51709 1 331 . 1 . 1 98 98 ASP CA C 13 56.545 0.000 . 1 . . . . . 348 D CA . 51709 1 332 . 1 . 1 98 98 ASP CB C 13 40.196 0.000 . 1 . . . . . 348 D CB . 51709 1 333 . 1 . 1 98 98 ASP N N 15 118.093 0.000 . 1 . . . . . 348 D N . 51709 1 334 . 1 . 1 99 99 GLN H H 1 8.199 0.000 . 1 . . . . . 349 Q HN . 51709 1 335 . 1 . 1 99 99 GLN CA C 13 58.632 0.000 . 1 . . . . . 349 Q CA . 51709 1 336 . 1 . 1 99 99 GLN CB C 13 26.421 0.000 . 1 . . . . . 349 Q CB . 51709 1 337 . 1 . 1 99 99 GLN N N 15 122.919 0.000 . 1 . . . . . 349 Q N . 51709 1 338 . 1 . 1 100 100 VAL H H 1 7.736 0.000 . 1 . . . . . 350 V HN . 51709 1 339 . 1 . 1 100 100 VAL CA C 13 66.629 0.000 . 1 . . . . . 350 V CA . 51709 1 340 . 1 . 1 100 100 VAL CB C 13 30.891 0.000 . 1 . . . . . 350 V CB . 51709 1 341 . 1 . 1 100 100 VAL N N 15 119.213 0.000 . 1 . . . . . 350 V N . 51709 1 342 . 1 . 1 101 101 ILE H H 1 7.465 0.000 . 1 . . . . . 351 I HN . 51709 1 343 . 1 . 1 101 101 ILE CA C 13 64.589 0.000 . 1 . . . . . 351 I CA . 51709 1 344 . 1 . 1 101 101 ILE CB C 13 37.439 0.000 . 1 . . . . . 351 I CB . 51709 1 345 . 1 . 1 101 101 ILE N N 15 119.632 0.000 . 1 . . . . . 351 I N . 51709 1 346 . 1 . 1 102 102 LEU H H 1 7.768 0.000 . 1 . . . . . 352 L HN . 51709 1 347 . 1 . 1 102 102 LEU CA C 13 57.583 0.000 . 1 . . . . . 352 L CA . 51709 1 348 . 1 . 1 102 102 LEU CB C 13 40.647 0.000 . 1 . . . . . 352 L CB . 51709 1 349 . 1 . 1 102 102 LEU N N 15 121.256 0.000 . 1 . . . . . 352 L N . 51709 1 350 . 1 . 1 103 103 LEU H H 1 8.340 0.000 . 1 . . . . . 353 L HN . 51709 1 351 . 1 . 1 103 103 LEU CA C 13 58.174 0.000 . 1 . . . . . 353 L CA . 51709 1 352 . 1 . 1 103 103 LEU CB C 13 41.036 0.000 . 1 . . . . . 353 L CB . 51709 1 353 . 1 . 1 103 103 LEU N N 15 117.805 0.000 . 1 . . . . . 353 L N . 51709 1 354 . 1 . 1 104 104 ASN H H 1 8.283 0.000 . 1 . . . . . 354 N HN . 51709 1 355 . 1 . 1 104 104 ASN CA C 13 55.525 0.000 . 1 . . . . . 354 N CA . 51709 1 356 . 1 . 1 104 104 ASN CB C 13 38.024 0.000 . 1 . . . . . 354 N CB . 51709 1 357 . 1 . 1 104 104 ASN N N 15 116.045 0.000 . 1 . . . . . 354 N N . 51709 1 358 . 1 . 1 105 105 LYS H H 1 7.613 0.000 . 1 . . . . . 355 K HN . 51709 1 359 . 1 . 1 105 105 LYS CA C 13 57.990 0.000 . 1 . . . . . 355 K CA . 51709 1 360 . 1 . 1 105 105 LYS CB C 13 31.150 0.000 . 1 . . . . . 355 K CB . 51709 1 361 . 1 . 1 105 105 LYS N N 15 119.546 0.000 . 1 . . . . . 355 K N . 51709 1 362 . 1 . 1 106 106 HIS H H 1 6.774 0.000 . 1 . . . . . 356 H HN . 51709 1 363 . 1 . 1 106 106 HIS CA C 13 57.001 0.000 . 1 . . . . . 356 H CA . 51709 1 364 . 1 . 1 106 106 HIS CB C 13 32.084 0.000 . 1 . . . . . 356 H CB . 51709 1 365 . 1 . 1 106 106 HIS N N 15 113.908 0.000 . 1 . . . . . 356 H N . 51709 1 366 . 1 . 1 107 107 ILE H H 1 7.693 0.000 . 1 . . . . . 357 I HN . 51709 1 367 . 1 . 1 107 107 ILE CA C 13 64.566 0.000 . 1 . . . . . 357 I CA . 51709 1 368 . 1 . 1 107 107 ILE CB C 13 37.749 0.000 . 1 . . . . . 357 I CB . 51709 1 369 . 1 . 1 107 107 ILE N N 15 126.424 0.000 . 1 . . . . . 357 I N . 51709 1 370 . 1 . 1 108 108 ASP H H 1 8.142 0.000 . 1 . . . . . 358 D HN . 51709 1 371 . 1 . 1 108 108 ASP CA C 13 56.360 0.000 . 1 . . . . . 358 D CA . 51709 1 372 . 1 . 1 108 108 ASP CB C 13 37.574 0.000 . 1 . . . . . 358 D CB . 51709 1 373 . 1 . 1 108 108 ASP N N 15 123.783 0.000 . 1 . . . . . 358 D N . 51709 1 374 . 1 . 1 109 109 ALA H H 1 7.144 0.000 . 1 . . . . . 359 A HN . 51709 1 375 . 1 . 1 109 109 ALA CA C 13 54.718 0.000 . 1 . . . . . 359 A CA . 51709 1 376 . 1 . 1 109 109 ALA CB C 13 16.628 0.000 . 1 . . . . . 359 A CB . 51709 1 377 . 1 . 1 109 109 ALA N N 15 125.006 0.000 . 1 . . . . . 359 A N . 51709 1 378 . 1 . 1 110 110 TYR H H 1 8.594 0.000 . 1 . . . . . 360 Y HN . 51709 1 379 . 1 . 1 110 110 TYR CA C 13 57.143 0.000 . 1 . . . . . 360 Y CA . 51709 1 380 . 1 . 1 110 110 TYR CB C 13 35.644 0.000 . 1 . . . . . 360 Y CB . 51709 1 381 . 1 . 1 110 110 TYR N N 15 115.836 0.000 . 1 . . . . . 360 Y N . 51709 1 382 . 1 . 1 111 111 LYS H H 1 6.175 0.000 . 1 . . . . . 361 K HN . 51709 1 383 . 1 . 1 111 111 LYS CA C 13 57.969 0.000 . 1 . . . . . 361 K CA . 51709 1 384 . 1 . 1 111 111 LYS CB C 13 31.709 0.000 . 1 . . . . . 361 K CB . 51709 1 385 . 1 . 1 111 111 LYS N N 15 121.686 0.000 . 1 . . . . . 361 K N . 51709 1 386 . 1 . 1 112 112 THR H H 1 7.747 0.000 . 1 . . . . . 362 T HN . 51709 1 387 . 1 . 1 112 112 THR CA C 13 60.571 0.000 . 1 . . . . . 362 T CA . 51709 1 388 . 1 . 1 112 112 THR CB C 13 69.262 0.000 . 1 . . . . . 362 T CB . 51709 1 389 . 1 . 1 112 112 THR N N 15 107.426 0.000 . 1 . . . . . 362 T N . 51709 1 390 . 1 . 1 113 113 PHE H H 1 7.210 0.000 . 1 . . . . . 363 F HN . 51709 1 391 . 1 . 1 113 113 PHE CA C 13 53.222 0.000 . 1 . . . . . 363 F CA . 51709 1 392 . 1 . 1 113 113 PHE CB C 13 35.126 0.000 . 1 . . . . . 363 F CB . 51709 1 393 . 1 . 1 113 113 PHE N N 15 123.552 0.000 . 1 . . . . . 363 F N . 51709 1 394 . 1 . 1 116 116 THR CA C 13 61.980 0.000 . 1 . . . . . 366 T CA . 51709 1 395 . 1 . 1 116 116 THR CB C 13 69.895 0.000 . 1 . . . . . 366 T CB . 51709 1 396 . 1 . 1 117 117 GLU H H 1 8.262 0.000 . 1 . . . . . 367 E HN . 51709 1 397 . 1 . 1 117 117 GLU CA C 13 54.310 0.000 . 1 . . . . . 367 E CA . 51709 1 398 . 1 . 1 117 117 GLU CB C 13 30.130 0.000 . 1 . . . . . 367 E CB . 51709 1 399 . 1 . 1 117 117 GLU N N 15 124.995 0.000 . 1 . . . . . 367 E N . 51709 1 400 . 1 . 1 121 121 ASP CA C 13 55.969 0.000 . 1 . . . . . 371 D CA . 51709 1 401 . 1 . 1 121 121 ASP CB C 13 42.184 0.000 . 1 . . . . . 371 D CB . 51709 1 402 . 1 . 1 122 122 LYS H H 1 8.071 0.000 . 1 . . . . . 372 K HN . 51709 1 403 . 1 . 1 122 122 LYS CA C 13 56.602 0.000 . 1 . . . . . 372 K CA . 51709 1 404 . 1 . 1 122 122 LYS CB C 13 29.104 0.000 . 1 . . . . . 372 K CB . 51709 1 405 . 1 . 1 122 122 LYS N N 15 120.455 0.000 . 1 . . . . . 372 K N . 51709 1 406 . 1 . 1 123 123 LYS H H 1 8.167 0.000 . 1 . . . . . 373 K HN . 51709 1 407 . 1 . 1 123 123 LYS CA C 13 56.497 0.000 . 1 . . . . . 373 K CA . 51709 1 408 . 1 . 1 123 123 LYS CB C 13 29.267 0.000 . 1 . . . . . 373 K CB . 51709 1 409 . 1 . 1 123 123 LYS N N 15 121.006 0.000 . 1 . . . . . 373 K N . 51709 1 410 . 1 . 1 125 125 LYS CA C 13 56.436 0.000 . 1 . . . . . 375 K CA . 51709 1 411 . 1 . 1 125 125 LYS CB C 13 33.152 0.000 . 1 . . . . . 375 K CB . 51709 1 412 . 1 . 1 126 126 ALA H H 1 8.296 0.000 . 1 . . . . . 376 A HN . 51709 1 413 . 1 . 1 126 126 ALA CA C 13 52.762 0.000 . 1 . . . . . 376 A CA . 51709 1 414 . 1 . 1 126 126 ALA CB C 13 19.270 0.000 . 1 . . . . . 376 A CB . 51709 1 415 . 1 . 1 126 126 ALA N N 15 125.998 0.000 . 1 . . . . . 376 A N . 51709 1 416 . 1 . 1 127 127 ASP H H 1 8.190 0.000 . 1 . . . . . 377 D HN . 51709 1 417 . 1 . 1 127 127 ASP CA C 13 54.394 0.000 . 1 . . . . . 377 D CA . 51709 1 418 . 1 . 1 127 127 ASP CB C 13 41.163 0.000 . 1 . . . . . 377 D CB . 51709 1 419 . 1 . 1 127 127 ASP N N 15 119.828 0.000 . 1 . . . . . 377 D N . 51709 1 420 . 1 . 1 128 128 GLU H H 1 8.321 0.000 . 1 . . . . . 378 E HN . 51709 1 421 . 1 . 1 128 128 GLU CA C 13 56.961 0.000 . 1 . . . . . 378 E CA . 51709 1 422 . 1 . 1 128 128 GLU CB C 13 30.251 0.000 . 1 . . . . . 378 E CB . 51709 1 423 . 1 . 1 128 128 GLU N N 15 122.154 0.000 . 1 . . . . . 378 E N . 51709 1 424 . 1 . 1 129 129 THR H H 1 8.154 0.000 . 1 . . . . . 379 T HN . 51709 1 425 . 1 . 1 129 129 THR CA C 13 62.560 0.000 . 1 . . . . . 379 T CA . 51709 1 426 . 1 . 1 129 129 THR CB C 13 69.692 0.000 . 1 . . . . . 379 T CB . 51709 1 427 . 1 . 1 129 129 THR N N 15 115.374 0.000 . 1 . . . . . 379 T N . 51709 1 428 . 1 . 1 130 130 GLN H H 1 8.153 0.000 . 1 . . . . . 380 Q HN . 51709 1 429 . 1 . 1 130 130 GLN CA C 13 55.791 0.000 . 1 . . . . . 380 Q CA . 51709 1 430 . 1 . 1 130 130 GLN CB C 13 29.533 0.000 . 1 . . . . . 380 Q CB . 51709 1 431 . 1 . 1 130 130 GLN N N 15 122.815 0.000 . 1 . . . . . 380 Q N . 51709 1 432 . 1 . 1 131 131 ALA H H 1 8.129 0.000 . 1 . . . . . 381 A HN . 51709 1 433 . 1 . 1 131 131 ALA CA C 13 52.262 0.000 . 1 . . . . . 381 A CA . 51709 1 434 . 1 . 1 131 131 ALA CB C 13 19.294 0.000 . 1 . . . . . 381 A CB . 51709 1 435 . 1 . 1 131 131 ALA N N 15 125.682 0.000 . 1 . . . . . 381 A N . 51709 1 436 . 1 . 1 132 132 LEU H H 1 8.070 0.000 . 1 . . . . . 382 L HN . 51709 1 437 . 1 . 1 132 132 LEU CA C 13 53.347 0.000 . 1 . . . . . 382 L CA . 51709 1 438 . 1 . 1 132 132 LEU CB C 13 41.726 0.000 . 1 . . . . . 382 L CB . 51709 1 439 . 1 . 1 132 132 LEU N N 15 123.260 0.000 . 1 . . . . . 382 L N . 51709 1 440 . 1 . 1 133 133 PRO CA C 13 63.400 0.000 . 1 . . . . . 383 P CA . 51709 1 441 . 1 . 1 133 133 PRO CB C 13 31.948 0.000 . 1 . . . . . 383 P CB . 51709 1 442 . 1 . 1 134 134 GLN H H 1 8.340 0.000 . 1 . . . . . 384 Q HN . 51709 1 443 . 1 . 1 134 134 GLN CA C 13 56.075 0.000 . 1 . . . . . 384 Q CA . 51709 1 444 . 1 . 1 134 134 GLN CB C 13 29.422 0.000 . 1 . . . . . 384 Q CB . 51709 1 445 . 1 . 1 134 134 GLN N N 15 120.670 0.000 . 1 . . . . . 384 Q N . 51709 1 446 . 1 . 1 141 141 THR CA C 13 62.054 0.000 . 1 . . . . . 391 T CA . 51709 1 447 . 1 . 1 141 141 THR CB C 13 69.835 0.000 . 1 . . . . . 391 T CB . 51709 1 448 . 1 . 1 142 142 VAL H H 1 8.135 0.000 . 1 . . . . . 392 V HN . 51709 1 449 . 1 . 1 142 142 VAL CA C 13 62.266 0.000 . 1 . . . . . 392 V CA . 51709 1 450 . 1 . 1 142 142 VAL CB C 13 32.968 0.000 . 1 . . . . . 392 V CB . 51709 1 451 . 1 . 1 142 142 VAL N N 15 123.311 0.000 . 1 . . . . . 392 V N . 51709 1 452 . 1 . 1 143 143 THR H H 1 8.154 0.000 . 1 . . . . . 393 T HN . 51709 1 453 . 1 . 1 143 143 THR CA C 13 61.840 0.000 . 1 . . . . . 393 T CA . 51709 1 454 . 1 . 1 143 143 THR CB C 13 69.718 0.000 . 1 . . . . . 393 T CB . 51709 1 455 . 1 . 1 143 143 THR N N 15 119.626 0.000 . 1 . . . . . 393 T N . 51709 1 456 . 1 . 1 144 144 LEU H H 1 8.176 0.000 . 1 . . . . . 394 L HN . 51709 1 457 . 1 . 1 144 144 LEU CA C 13 54.907 0.000 . 1 . . . . . 394 L CA . 51709 1 458 . 1 . 1 144 144 LEU CB C 13 42.483 0.000 . 1 . . . . . 394 L CB . 51709 1 459 . 1 . 1 144 144 LEU N N 15 126.134 0.000 . 1 . . . . . 394 L N . 51709 1 460 . 1 . 1 145 145 LEU H H 1 8.090 0.000 . 1 . . . . . 395 L HN . 51709 1 461 . 1 . 1 145 145 LEU CA C 13 52.835 0.000 . 1 . . . . . 395 L CA . 51709 1 462 . 1 . 1 145 145 LEU CB C 13 41.990 0.000 . 1 . . . . . 395 L CB . 51709 1 463 . 1 . 1 145 145 LEU N N 15 125.124 0.000 . 1 . . . . . 395 L N . 51709 1 464 . 1 . 1 146 146 PRO CA C 13 63.025 0.000 . 1 . . . . . 396 P CA . 51709 1 465 . 1 . 1 146 146 PRO CB C 13 32.021 0.000 . 1 . . . . . 396 P CB . 51709 1 466 . 1 . 1 147 147 ALA H H 1 8.195 0.000 . 1 . . . . . 397 A HN . 51709 1 467 . 1 . 1 147 147 ALA CA C 13 52.496 0.000 . 1 . . . . . 397 A CA . 51709 1 468 . 1 . 1 147 147 ALA CB C 13 19.321 0.000 . 1 . . . . . 397 A CB . 51709 1 469 . 1 . 1 147 147 ALA N N 15 124.761 0.000 . 1 . . . . . 397 A N . 51709 1 470 . 1 . 1 148 148 ALA H H 1 8.147 0.000 . 1 . . . . . 398 A HN . 51709 1 471 . 1 . 1 148 148 ALA CA C 13 52.595 0.000 . 1 . . . . . 398 A CA . 51709 1 472 . 1 . 1 148 148 ALA CB C 13 19.489 0.000 . 1 . . . . . 398 A CB . 51709 1 473 . 1 . 1 148 148 ALA N N 15 123.374 0.000 . 1 . . . . . 398 A N . 51709 1 474 . 1 . 1 149 149 ASP H H 1 8.147 0.000 . 1 . . . . . 399 D HN . 51709 1 475 . 1 . 1 149 149 ASP CA C 13 54.254 0.000 . 1 . . . . . 399 D CA . 51709 1 476 . 1 . 1 149 149 ASP CB C 13 41.203 0.000 . 1 . . . . . 399 D CB . 51709 1 477 . 1 . 1 149 149 ASP N N 15 119.557 0.000 . 1 . . . . . 399 D N . 51709 1 478 . 1 . 1 150 150 LEU H H 1 8.025 0.000 . 1 . . . . . 400 L HN . 51709 1 479 . 1 . 1 150 150 LEU CA C 13 55.409 0.000 . 1 . . . . . 400 L CA . 51709 1 480 . 1 . 1 150 150 LEU CB C 13 42.587 0.000 . 1 . . . . . 400 L CB . 51709 1 481 . 1 . 1 150 150 LEU N N 15 122.689 0.000 . 1 . . . . . 400 L N . 51709 1 482 . 1 . 1 151 151 ASP H H 1 8.142 0.000 . 1 . . . . . 401 D HN . 51709 1 483 . 1 . 1 151 151 ASP CA C 13 54.507 0.000 . 1 . . . . . 401 D CA . 51709 1 484 . 1 . 1 151 151 ASP CB C 13 41.408 0.000 . 1 . . . . . 401 D CB . 51709 1 485 . 1 . 1 151 151 ASP N N 15 121.215 0.000 . 1 . . . . . 401 D N . 51709 1 486 . 1 . 1 152 152 ASP H H 1 8.084 0.000 . 1 . . . . . 402 D HN . 51709 1 487 . 1 . 1 152 152 ASP CA C 13 55.079 0.000 . 1 . . . . . 402 D CA . 51709 1 488 . 1 . 1 152 152 ASP CB C 13 41.169 0.000 . 1 . . . . . 402 D CB . 51709 1 489 . 1 . 1 152 152 ASP N N 15 120.730 0.000 . 1 . . . . . 402 D N . 51709 1 490 . 1 . 1 153 153 PHE H H 1 8.221 0.000 . 1 . . . . . 403 F HN . 51709 1 491 . 1 . 1 153 153 PHE CA C 13 59.296 0.000 . 1 . . . . . 403 F CA . 51709 1 492 . 1 . 1 153 153 PHE CB C 13 38.926 0.000 . 1 . . . . . 403 F CB . 51709 1 493 . 1 . 1 153 153 PHE N N 15 121.757 0.000 . 1 . . . . . 403 F N . 51709 1 494 . 1 . 1 154 154 SER H H 1 8.215 0.000 . 1 . . . . . 404 S HN . 51709 1 495 . 1 . 1 154 154 SER CA C 13 60.235 0.000 . 1 . . . . . 404 S CA . 51709 1 496 . 1 . 1 154 154 SER CB C 13 63.281 0.000 . 1 . . . . . 404 S CB . 51709 1 497 . 1 . 1 154 154 SER N N 15 116.701 0.000 . 1 . . . . . 404 S N . 51709 1 498 . 1 . 1 155 155 LYS H H 1 7.934 0.000 . 1 . . . . . 405 K HN . 51709 1 499 . 1 . 1 155 155 LYS CA C 13 57.535 0.000 . 1 . . . . . 405 K CA . 51709 1 500 . 1 . 1 155 155 LYS CB C 13 32.579 0.000 . 1 . . . . . 405 K CB . 51709 1 501 . 1 . 1 155 155 LYS N N 15 122.573 0.000 . 1 . . . . . 405 K N . 51709 1 502 . 1 . 1 156 156 GLN H H 1 7.957 0.000 . 1 . . . . . 406 Q HN . 51709 1 503 . 1 . 1 156 156 GLN CA C 13 56.829 0.000 . 1 . . . . . 406 Q CA . 51709 1 504 . 1 . 1 156 156 GLN CB C 13 28.892 0.000 . 1 . . . . . 406 Q CB . 51709 1 505 . 1 . 1 156 156 GLN N N 15 119.984 0.000 . 1 . . . . . 406 Q N . 51709 1 506 . 1 . 1 157 157 LEU H H 1 7.946 0.000 . 1 . . . . . 407 L HN . 51709 1 507 . 1 . 1 157 157 LEU CA C 13 55.598 0.000 . 1 . . . . . 407 L CA . 51709 1 508 . 1 . 1 157 157 LEU CB C 13 42.433 0.000 . 1 . . . . . 407 L CB . 51709 1 509 . 1 . 1 157 157 LEU N N 15 122.476 0.000 . 1 . . . . . 407 L N . 51709 1 510 . 1 . 1 163 163 SER CA C 13 58.509 0.000 . 1 . . . . . 413 S CA . 51709 1 511 . 1 . 1 163 163 SER CB C 13 63.841 0.000 . 1 . . . . . 413 S CB . 51709 1 512 . 1 . 1 166 166 SER H H 1 8.182 0.000 . 1 . . . . . 416 S HN . 51709 1 513 . 1 . 1 166 166 SER CA C 13 58.857 0.000 . 1 . . . . . 416 S CA . 51709 1 514 . 1 . 1 166 166 SER CB C 13 63.724 0.000 . 1 . . . . . 416 S CB . 51709 1 515 . 1 . 1 166 166 SER N N 15 117.126 0.000 . 1 . . . . . 416 S N . 51709 1 516 . 1 . 1 167 167 THR H H 1 8.160 0.000 . 1 . . . . . 417 T HN . 51709 1 517 . 1 . 1 167 167 THR CA C 13 62.718 0.000 . 1 . . . . . 417 T CA . 51709 1 518 . 1 . 1 167 167 THR CB C 13 69.573 0.000 . 1 . . . . . 417 T CB . 51709 1 519 . 1 . 1 167 167 THR N N 15 116.009 0.000 . 1 . . . . . 417 T N . 51709 1 520 . 1 . 1 168 168 GLN H H 1 8.075 0.000 . 1 . . . . . 418 Q HN . 51709 1 521 . 1 . 1 168 168 GLN CA C 13 55.901 0.000 . 1 . . . . . 418 Q CA . 51709 1 522 . 1 . 1 168 168 GLN CB C 13 29.281 0.000 . 1 . . . . . 418 Q CB . 51709 1 523 . 1 . 1 168 168 GLN N N 15 122.130 0.000 . 1 . . . . . 418 Q N . 51709 1 524 . 1 . 1 169 169 ALA H H 1 8.043 0.000 . 1 . . . . . 419 A HN . 51709 1 525 . 1 . 1 169 169 ALA CA C 13 52.764 0.000 . 1 . . . . . 419 A CA . 51709 1 526 . 1 . 1 169 169 ALA CB C 13 19.151 0.000 . 1 . . . . . 419 A CB . 51709 1 527 . 1 . 1 169 169 ALA N N 15 124.737 0.000 . 1 . . . . . 419 A N . 51709 1 stop_ save_