data_50154 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50154 _Entry.Title ; C-terminal domain of TDP-43 at acidic pH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-09 _Entry.Accession_date 2020-01-09 _Entry.Last_release_date 2020-01-09 _Entry.Original_release_date 2020-01-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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_CcpNMR _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 Miguel Mompean . . . . 50154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 50154 '15N chemical shifts' 163 50154 '1H chemical shifts' 552 50154 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 . . 2021-12-15 2020-01-09 update BMRB 'update entry citation' 50154 1 . . 2021-03-10 2020-01-09 original author 'original release' 50154 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50154 _Citation.ID 1 _Citation.Name citation_1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33417141 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR assignments for the C-terminal domain of human TDP-43 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 177 _Citation.Page_last 181 _Citation.Year 2021 _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 David Pantoja-Uceda D. . . . 50154 1 2 Cristiana Stuani C. . . . 50154 1 3 Douglas Laurents D. V. . . 50154 1 4 Ann McDermott A. E. . . 50154 1 5 Emanuele Buratti E. . . . 50154 1 6 Miguel Mompean M. . . . 50154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50154 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of TDP-43' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 'C-terminal domain of TDP-43' 1 $entity_1 . . yes native no no . . . 50154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TDP-43 267-414' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSDKIHHHHHHENLYFQGH MNRQLERSGRFGGNPGGFGN QGGFGNSRGGGAGLGNNQGS NMGGGMNFGAFSINPAMMAA AQAALQSSWGMMGMLASQQN QSGPSGNNQNQGNMQREPNQ AFGSGNNSYSGSNSGAAIGW GSASNAGSGSGFNGGFGSSM DSKSSGWGM ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 246 MET . 50154 1 2 247 GLY . 50154 1 3 248 SER . 50154 1 4 249 ASP . 50154 1 5 250 LYS . 50154 1 6 251 ILE . 50154 1 7 252 HIS . 50154 1 8 253 HIS . 50154 1 9 254 HIS . 50154 1 10 255 HIS . 50154 1 11 256 HIS . 50154 1 12 257 HIS . 50154 1 13 258 GLU . 50154 1 14 259 ASN . 50154 1 15 260 LEU . 50154 1 16 261 TYR . 50154 1 17 262 PHE . 50154 1 18 263 GLN . 50154 1 19 264 GLY . 50154 1 20 265 HIS . 50154 1 21 266 MET . 50154 1 22 267 ASN . 50154 1 23 268 ARG . 50154 1 24 269 GLN . 50154 1 25 270 LEU . 50154 1 26 271 GLU . 50154 1 27 272 ARG . 50154 1 28 273 SER . 50154 1 29 274 GLY . 50154 1 30 275 ARG . 50154 1 31 276 PHE . 50154 1 32 277 GLY . 50154 1 33 278 GLY . 50154 1 34 279 ASN . 50154 1 35 280 PRO . 50154 1 36 281 GLY . 50154 1 37 282 GLY . 50154 1 38 283 PHE . 50154 1 39 284 GLY . 50154 1 40 285 ASN . 50154 1 41 286 GLN . 50154 1 42 287 GLY . 50154 1 43 288 GLY . 50154 1 44 289 PHE . 50154 1 45 290 GLY . 50154 1 46 291 ASN . 50154 1 47 292 SER . 50154 1 48 293 ARG . 50154 1 49 294 GLY . 50154 1 50 295 GLY . 50154 1 51 296 GLY . 50154 1 52 297 ALA . 50154 1 53 298 GLY . 50154 1 54 299 LEU . 50154 1 55 300 GLY . 50154 1 56 301 ASN . 50154 1 57 302 ASN . 50154 1 58 303 GLN . 50154 1 59 304 GLY . 50154 1 60 305 SER . 50154 1 61 306 ASN . 50154 1 62 307 MET . 50154 1 63 308 GLY . 50154 1 64 309 GLY . 50154 1 65 310 GLY . 50154 1 66 311 MET . 50154 1 67 312 ASN . 50154 1 68 313 PHE . 50154 1 69 314 GLY . 50154 1 70 315 ALA . 50154 1 71 316 PHE . 50154 1 72 317 SER . 50154 1 73 318 ILE . 50154 1 74 319 ASN . 50154 1 75 320 PRO . 50154 1 76 321 ALA . 50154 1 77 322 MET . 50154 1 78 323 MET . 50154 1 79 324 ALA . 50154 1 80 325 ALA . 50154 1 81 326 ALA . 50154 1 82 327 GLN . 50154 1 83 328 ALA . 50154 1 84 329 ALA . 50154 1 85 330 LEU . 50154 1 86 331 GLN . 50154 1 87 332 SER . 50154 1 88 333 SER . 50154 1 89 334 TRP . 50154 1 90 335 GLY . 50154 1 91 336 MET . 50154 1 92 337 MET . 50154 1 93 338 GLY . 50154 1 94 339 MET . 50154 1 95 340 LEU . 50154 1 96 341 ALA . 50154 1 97 342 SER . 50154 1 98 343 GLN . 50154 1 99 344 GLN . 50154 1 100 345 ASN . 50154 1 101 346 GLN . 50154 1 102 347 SER . 50154 1 103 348 GLY . 50154 1 104 349 PRO . 50154 1 105 350 SER . 50154 1 106 351 GLY . 50154 1 107 352 ASN . 50154 1 108 353 ASN . 50154 1 109 354 GLN . 50154 1 110 355 ASN . 50154 1 111 356 GLN . 50154 1 112 357 GLY . 50154 1 113 358 ASN . 50154 1 114 359 MET . 50154 1 115 360 GLN . 50154 1 116 361 ARG . 50154 1 117 362 GLU . 50154 1 118 363 PRO . 50154 1 119 364 ASN . 50154 1 120 365 GLN . 50154 1 121 366 ALA . 50154 1 122 367 PHE . 50154 1 123 368 GLY . 50154 1 124 369 SER . 50154 1 125 370 GLY . 50154 1 126 371 ASN . 50154 1 127 372 ASN . 50154 1 128 373 SER . 50154 1 129 374 TYR . 50154 1 130 375 SER . 50154 1 131 376 GLY . 50154 1 132 377 SER . 50154 1 133 378 ASN . 50154 1 134 379 SER . 50154 1 135 380 GLY . 50154 1 136 381 ALA . 50154 1 137 382 ALA . 50154 1 138 383 ILE . 50154 1 139 384 GLY . 50154 1 140 385 TRP . 50154 1 141 386 GLY . 50154 1 142 387 SER . 50154 1 143 388 ALA . 50154 1 144 389 SER . 50154 1 145 390 ASN . 50154 1 146 391 ALA . 50154 1 147 392 GLY . 50154 1 148 393 SER . 50154 1 149 394 GLY . 50154 1 150 395 SER . 50154 1 151 396 GLY . 50154 1 152 397 PHE . 50154 1 153 398 ASN . 50154 1 154 399 GLY . 50154 1 155 400 GLY . 50154 1 156 401 PHE . 50154 1 157 402 GLY . 50154 1 158 403 SER . 50154 1 159 404 SER . 50154 1 160 405 MET . 50154 1 161 406 ASP . 50154 1 162 407 SER . 50154 1 163 408 LYS . 50154 1 164 409 SER . 50154 1 165 410 SER . 50154 1 166 411 GLY . 50154 1 167 412 TRP . 50154 1 168 413 GLY . 50154 1 169 414 MET . 50154 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 50154 1 . GLY 2 2 50154 1 . SER 3 3 50154 1 . ASP 4 4 50154 1 . LYS 5 5 50154 1 . ILE 6 6 50154 1 . HIS 7 7 50154 1 . HIS 8 8 50154 1 . HIS 9 9 50154 1 . HIS 10 10 50154 1 . HIS 11 11 50154 1 . HIS 12 12 50154 1 . GLU 13 13 50154 1 . ASN 14 14 50154 1 . LEU 15 15 50154 1 . TYR 16 16 50154 1 . PHE 17 17 50154 1 . GLN 18 18 50154 1 . GLY 19 19 50154 1 . HIS 20 20 50154 1 . MET 21 21 50154 1 . ASN 22 22 50154 1 . ARG 23 23 50154 1 . GLN 24 24 50154 1 . LEU 25 25 50154 1 . GLU 26 26 50154 1 . ARG 27 27 50154 1 . SER 28 28 50154 1 . GLY 29 29 50154 1 . ARG 30 30 50154 1 . PHE 31 31 50154 1 . GLY 32 32 50154 1 . GLY 33 33 50154 1 . ASN 34 34 50154 1 . PRO 35 35 50154 1 . GLY 36 36 50154 1 . GLY 37 37 50154 1 . PHE 38 38 50154 1 . GLY 39 39 50154 1 . ASN 40 40 50154 1 . GLN 41 41 50154 1 . GLY 42 42 50154 1 . GLY 43 43 50154 1 . PHE 44 44 50154 1 . GLY 45 45 50154 1 . ASN 46 46 50154 1 . SER 47 47 50154 1 . ARG 48 48 50154 1 . GLY 49 49 50154 1 . GLY 50 50 50154 1 . GLY 51 51 50154 1 . ALA 52 52 50154 1 . GLY 53 53 50154 1 . LEU 54 54 50154 1 . GLY 55 55 50154 1 . ASN 56 56 50154 1 . ASN 57 57 50154 1 . GLN 58 58 50154 1 . GLY 59 59 50154 1 . SER 60 60 50154 1 . ASN 61 61 50154 1 . MET 62 62 50154 1 . GLY 63 63 50154 1 . GLY 64 64 50154 1 . GLY 65 65 50154 1 . MET 66 66 50154 1 . ASN 67 67 50154 1 . PHE 68 68 50154 1 . GLY 69 69 50154 1 . ALA 70 70 50154 1 . PHE 71 71 50154 1 . SER 72 72 50154 1 . ILE 73 73 50154 1 . ASN 74 74 50154 1 . PRO 75 75 50154 1 . ALA 76 76 50154 1 . MET 77 77 50154 1 . MET 78 78 50154 1 . ALA 79 79 50154 1 . ALA 80 80 50154 1 . ALA 81 81 50154 1 . GLN 82 82 50154 1 . ALA 83 83 50154 1 . ALA 84 84 50154 1 . LEU 85 85 50154 1 . GLN 86 86 50154 1 . SER 87 87 50154 1 . SER 88 88 50154 1 . TRP 89 89 50154 1 . GLY 90 90 50154 1 . MET 91 91 50154 1 . MET 92 92 50154 1 . GLY 93 93 50154 1 . MET 94 94 50154 1 . LEU 95 95 50154 1 . ALA 96 96 50154 1 . SER 97 97 50154 1 . GLN 98 98 50154 1 . GLN 99 99 50154 1 . ASN 100 100 50154 1 . GLN 101 101 50154 1 . SER 102 102 50154 1 . GLY 103 103 50154 1 . PRO 104 104 50154 1 . SER 105 105 50154 1 . GLY 106 106 50154 1 . ASN 107 107 50154 1 . ASN 108 108 50154 1 . GLN 109 109 50154 1 . ASN 110 110 50154 1 . GLN 111 111 50154 1 . GLY 112 112 50154 1 . ASN 113 113 50154 1 . MET 114 114 50154 1 . GLN 115 115 50154 1 . ARG 116 116 50154 1 . GLU 117 117 50154 1 . PRO 118 118 50154 1 . ASN 119 119 50154 1 . GLN 120 120 50154 1 . ALA 121 121 50154 1 . PHE 122 122 50154 1 . GLY 123 123 50154 1 . SER 124 124 50154 1 . GLY 125 125 50154 1 . ASN 126 126 50154 1 . ASN 127 127 50154 1 . SER 128 128 50154 1 . TYR 129 129 50154 1 . SER 130 130 50154 1 . GLY 131 131 50154 1 . SER 132 132 50154 1 . ASN 133 133 50154 1 . SER 134 134 50154 1 . GLY 135 135 50154 1 . ALA 136 136 50154 1 . ALA 137 137 50154 1 . ILE 138 138 50154 1 . GLY 139 139 50154 1 . TRP 140 140 50154 1 . GLY 141 141 50154 1 . SER 142 142 50154 1 . ALA 143 143 50154 1 . SER 144 144 50154 1 . ASN 145 145 50154 1 . ALA 146 146 50154 1 . GLY 147 147 50154 1 . SER 148 148 50154 1 . GLY 149 149 50154 1 . SER 150 150 50154 1 . GLY 151 151 50154 1 . PHE 152 152 50154 1 . ASN 153 153 50154 1 . GLY 154 154 50154 1 . GLY 155 155 50154 1 . PHE 156 156 50154 1 . GLY 157 157 50154 1 . SER 158 158 50154 1 . SER 159 159 50154 1 . MET 160 160 50154 1 . ASP 161 161 50154 1 . SER 162 162 50154 1 . LYS 163 163 50154 1 . SER 164 164 50154 1 . SER 165 165 50154 1 . GLY 166 166 50154 1 . TRP 167 167 50154 1 . GLY 168 168 50154 1 . MET 169 169 50154 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 50154 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50154 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 50154 _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' . . . . . . . . plasmid . . pJ411 . . . 50154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50154 _Sample.ID 1 _Sample.Name sample_1 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 60-120 . . uM . . . . 50154 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 50154 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4 . pH 50154 1 pressure 1 . atm 50154 1 temperature 298 . K 50154 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1_CcpNMR _Software.Sf_category software _Software.Sf_framecode software_1_CcpNMR _Software.Entry_ID 50154 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50154 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50154 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 50154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_I _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50154 _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 . . . . . . . . . . . . . . . . . 50154 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 5 '3D CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 7 '3D H(NCOCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 1 8 '3D (H)N(COCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50154 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 50154 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_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 na indirect 1 . . . . . 50154 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50154 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . 50154 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 50154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chem_shift_list_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 $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' . . . 50154 1 2 '3D CBCA(CO)NH' . . . 50154 1 3 '3D HNCO' . . . 50154 1 4 '3D HNCA' . . . 50154 1 5 '3D CC(CO)NH' . . . 50154 1 6 '3D HBHA(CO)NH' . . . 50154 1 7 '3D H(NCOCA)NH' . . . 50154 1 8 '3D (H)N(COCA)NH' . . . 50154 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 3 3 SER H H 1 8.651 0.03 . 1 . . . . . 248 SER H . 50154 1 2 . 1 . 1 3 3 SER HA H 1 4.600 0.00 . 1 . . . . . 248 SER HA . 50154 1 3 . 1 . 1 3 3 SER HB2 H 1 3.951 0.00 . 2 . . . . . 248 SER QB . 50154 1 4 . 1 . 1 3 3 SER HB3 H 1 3.951 0.00 . 2 . . . . . 248 SER QB . 50154 1 5 . 1 . 1 3 3 SER C C 13 174.183 0.00 . 1 . . . . . 248 SER C . 50154 1 6 . 1 . 1 3 3 SER CA C 13 58.232 0.08 . 1 . . . . . 248 SER CA . 50154 1 7 . 1 . 1 3 3 SER CB C 13 64.067 0.02 . 1 . . . . . 248 SER CB . 50154 1 8 . 1 . 1 3 3 SER N N 15 115.681 0.04 . 1 . . . . . 248 SER N . 50154 1 9 . 1 . 1 4 4 ASP H H 1 8.565 0.02 . 1 . . . . . 249 ASP H . 50154 1 10 . 1 . 1 4 4 ASP CA C 13 54.099 0.03 . 1 . . . . . 249 ASP CA . 50154 1 11 . 1 . 1 4 4 ASP CB C 13 40.763 0.00 . 1 . . . . . 249 ASP CB . 50154 1 12 . 1 . 1 4 4 ASP N N 15 122.551 0.04 . 1 . . . . . 249 ASP N . 50154 1 13 . 1 . 1 5 5 LYS H H 1 8.308 0.02 . 1 . . . . . 250 LYS H . 50154 1 14 . 1 . 1 5 5 LYS HA H 1 4.311 0.00 . 1 . . . . . 250 LYS HA . 50154 1 15 . 1 . 1 5 5 LYS HB2 H 1 1.790 0.00 . 2 . . . . . 250 LYS QB . 50154 1 16 . 1 . 1 5 5 LYS HB3 H 1 1.790 0.00 . 2 . . . . . 250 LYS QB . 50154 1 17 . 1 . 1 5 5 LYS C C 13 176.475 0.00 . 1 . . . . . 250 LYS C . 50154 1 18 . 1 . 1 5 5 LYS CA C 13 56.579 0.05 . 1 . . . . . 250 LYS CA . 50154 1 19 . 1 . 1 5 5 LYS CB C 13 32.939 0.08 . 1 . . . . . 250 LYS CB . 50154 1 20 . 1 . 1 5 5 LYS CG C 13 25.048 0.00 . 1 . . . . . 250 LYS CG . 50154 1 21 . 1 . 1 5 5 LYS CD C 13 29.338 0.00 . 1 . . . . . 250 LYS CD . 50154 1 22 . 1 . 1 5 5 LYS CE C 13 42.528 0.00 . 1 . . . . . 250 LYS CE . 50154 1 23 . 1 . 1 5 5 LYS N N 15 121.471 0.05 . 1 . . . . . 250 LYS N . 50154 1 24 . 1 . 1 6 6 ILE H H 1 7.863 0.03 . 1 . . . . . 251 ILE H . 50154 1 25 . 1 . 1 6 6 ILE HA H 1 4.084 0.00 . 1 . . . . . 251 ILE HA . 50154 1 26 . 1 . 1 6 6 ILE HB H 1 1.786 0.00 . 1 . . . . . 251 ILE HB . 50154 1 27 . 1 . 1 6 6 ILE C C 13 175.899 0.00 . 1 . . . . . 251 ILE C . 50154 1 28 . 1 . 1 6 6 ILE CA C 13 61.085 0.09 . 1 . . . . . 251 ILE CA . 50154 1 29 . 1 . 1 6 6 ILE CB C 13 38.488 0.11 . 1 . . . . . 251 ILE CB . 50154 1 30 . 1 . 1 6 6 ILE CG1 C 13 27.830 0.00 . 1 . . . . . 251 ILE CG1 . 50154 1 31 . 1 . 1 6 6 ILE CG2 C 13 17.211 0.00 . 1 . . . . . 251 ILE CG2 . 50154 1 32 . 1 . 1 6 6 ILE N N 15 119.939 0.08 . 1 . . . . . 251 ILE N . 50154 1 33 . 1 . 1 7 7 HIS H H 1 8.437 0.03 . 1 . . . . . 252 HIS H . 50154 1 34 . 1 . 1 7 7 HIS HA H 1 4.773 0.00 . 1 . . . . . 252 HIS HA . 50154 1 35 . 1 . 1 7 7 HIS HB2 H 1 3.206 0.00 . 2 . . . . . 252 HIS QB . 50154 1 36 . 1 . 1 7 7 HIS HB3 H 1 3.206 0.00 . 2 . . . . . 252 HIS QB . 50154 1 37 . 1 . 1 7 7 HIS C C 13 173.996 0.00 . 1 . . . . . 252 HIS C . 50154 1 38 . 1 . 1 7 7 HIS CA C 13 54.932 0.04 . 1 . . . . . 252 HIS CA . 50154 1 39 . 1 . 1 7 7 HIS CB C 13 28.898 0.12 . 1 . . . . . 252 HIS CB . 50154 1 40 . 1 . 1 7 7 HIS N N 15 121.822 0.07 . 1 . . . . . 252 HIS N . 50154 1 41 . 1 . 1 8 8 HIS H H 1 8.502 0.02 . 1 . . . . . 253 HIS H . 50154 1 42 . 1 . 1 8 8 HIS HA H 1 4.769 0.00 . 1 . . . . . 253 HIS HA . 50154 1 43 . 1 . 1 8 8 HIS HB2 H 1 3.239 0.00 . 2 . . . . . 253 HIS QB . 50154 1 44 . 1 . 1 8 8 HIS HB3 H 1 3.239 0.00 . 2 . . . . . 253 HIS QB . 50154 1 45 . 1 . 1 8 8 HIS C C 13 173.989 0.00 . 1 . . . . . 253 HIS C . 50154 1 46 . 1 . 1 8 8 HIS CA C 13 55.122 0.10 . 1 . . . . . 253 HIS CA . 50154 1 47 . 1 . 1 8 8 HIS CB C 13 29.387 0.30 . 1 . . . . . 253 HIS CB . 50154 1 48 . 1 . 1 8 8 HIS N N 15 119.980 0.04 . 1 . . . . . 253 HIS N . 50154 1 49 . 1 . 1 9 9 HIS H H 1 8.691 0.02 . 1 . . . . . 254 HIS H . 50154 1 50 . 1 . 1 9 9 HIS HB2 H 1 3.272 0.00 . 2 . . . . . 254 HIS QB . 50154 1 51 . 1 . 1 9 9 HIS HB3 H 1 3.272 0.00 . 2 . . . . . 254 HIS QB . 50154 1 52 . 1 . 1 9 9 HIS C C 13 174.048 0.00 . 1 . . . . . 254 HIS C . 50154 1 53 . 1 . 1 9 9 HIS CA C 13 55.205 0.08 . 1 . . . . . 254 HIS CA . 50154 1 54 . 1 . 1 9 9 HIS CB C 13 29.279 0.21 . 1 . . . . . 254 HIS CB . 50154 1 55 . 1 . 1 9 9 HIS N N 15 119.982 0.04 . 1 . . . . . 254 HIS N . 50154 1 56 . 1 . 1 10 10 HIS H H 1 8.726 0.02 . 1 . . . . . 255 HIS H . 50154 1 57 . 1 . 1 10 10 HIS HA H 1 4.725 0.00 . 1 . . . . . 255 HIS HA . 50154 1 58 . 1 . 1 10 10 HIS HB2 H 1 3.269 0.00 . 2 . . . . . 255 HIS QB . 50154 1 59 . 1 . 1 10 10 HIS HB3 H 1 3.269 0.00 . 2 . . . . . 255 HIS QB . 50154 1 60 . 1 . 1 10 10 HIS C C 13 174.009 0.00 . 1 . . . . . 255 HIS C . 50154 1 61 . 1 . 1 10 10 HIS CA C 13 55.307 0.08 . 1 . . . . . 255 HIS CA . 50154 1 62 . 1 . 1 10 10 HIS CB C 13 29.305 0.18 . 1 . . . . . 255 HIS CB . 50154 1 63 . 1 . 1 10 10 HIS N N 15 120.526 0.06 . 1 . . . . . 255 HIS N . 50154 1 64 . 1 . 1 11 11 HIS H H 1 8.727 0.02 . 1 . . . . . 256 HIS H . 50154 1 65 . 1 . 1 11 11 HIS HA H 1 4.737 0.00 . 1 . . . . . 256 HIS HA . 50154 1 66 . 1 . 1 11 11 HIS HB2 H 1 3.283 0.00 . 2 . . . . . 256 HIS QB . 50154 1 67 . 1 . 1 11 11 HIS HB3 H 1 3.283 0.00 . 2 . . . . . 256 HIS QB . 50154 1 68 . 1 . 1 11 11 HIS C C 13 173.897 0.00 . 1 . . . . . 256 HIS C . 50154 1 69 . 1 . 1 11 11 HIS CA C 13 55.383 0.03 . 1 . . . . . 256 HIS CA . 50154 1 70 . 1 . 1 11 11 HIS CB C 13 29.258 0.00 . 1 . . . . . 256 HIS CB . 50154 1 71 . 1 . 1 11 11 HIS N N 15 120.867 0.11 . 1 . . . . . 256 HIS N . 50154 1 72 . 1 . 1 12 12 HIS H H 1 8.730 0.00 . 1 . . . . . 257 HIS H . 50154 1 73 . 1 . 1 12 12 HIS HA H 1 4.713 0.00 . 1 . . . . . 257 HIS HA . 50154 1 74 . 1 . 1 12 12 HIS HB2 H 1 3.257 0.00 . 2 . . . . . 257 HIS QB . 50154 1 75 . 1 . 1 12 12 HIS HB3 H 1 3.257 0.00 . 2 . . . . . 257 HIS QB . 50154 1 76 . 1 . 1 12 12 HIS C C 13 173.854 0.00 . 1 . . . . . 257 HIS C . 50154 1 77 . 1 . 1 12 12 HIS CA C 13 55.536 0.01 . 1 . . . . . 257 HIS CA . 50154 1 78 . 1 . 1 12 12 HIS CB C 13 29.122 0.16 . 1 . . . . . 257 HIS CB . 50154 1 79 . 1 . 1 12 12 HIS N N 15 121.154 0.09 . 1 . . . . . 257 HIS N . 50154 1 80 . 1 . 1 13 13 GLU H H 1 8.562 0.01 . 1 . . . . . 258 GLU H . 50154 1 81 . 1 . 1 13 13 GLU HA H 1 4.405 0.00 . 1 . . . . . 258 GLU HA . 50154 1 82 . 1 . 1 13 13 GLU HB2 H 1 1.979 0.00 . 2 . . . . . 258 GLU QB . 50154 1 83 . 1 . 1 13 13 GLU HB3 H 1 1.979 0.00 . 2 . . . . . 258 GLU QB . 50154 1 84 . 1 . 1 13 13 GLU C C 13 175.436 0.00 . 1 . . . . . 258 GLU C . 50154 1 85 . 1 . 1 13 13 GLU CA C 13 55.942 0.04 . 1 . . . . . 258 GLU CA . 50154 1 86 . 1 . 1 13 13 GLU CB C 13 30.078 0.24 . 1 . . . . . 258 GLU CB . 50154 1 87 . 1 . 1 13 13 GLU N N 15 123.025 0.03 . 1 . . . . . 258 GLU N . 50154 1 88 . 1 . 1 14 14 ASN H H 1 8.595 0.02 . 1 . . . . . 259 ASN H . 50154 1 89 . 1 . 1 14 14 ASN HA H 1 4.694 0.00 . 1 . . . . . 259 ASN HA . 50154 1 90 . 1 . 1 14 14 ASN HB2 H 1 2.805 0.00 . 2 . . . . . 259 ASN QB . 50154 1 91 . 1 . 1 14 14 ASN HB3 H 1 2.805 0.00 . 2 . . . . . 259 ASN QB . 50154 1 92 . 1 . 1 14 14 ASN C C 13 174.822 0.00 . 1 . . . . . 259 ASN C . 50154 1 93 . 1 . 1 14 14 ASN CA C 13 53.215 0.03 . 1 . . . . . 259 ASN CA . 50154 1 94 . 1 . 1 14 14 ASN CB C 13 38.837 0.07 . 1 . . . . . 259 ASN CB . 50154 1 95 . 1 . 1 14 14 ASN N N 15 120.756 0.07 . 1 . . . . . 259 ASN N . 50154 1 96 . 1 . 1 15 15 LEU H H 1 8.187 0.02 . 1 . . . . . 260 LEU H . 50154 1 97 . 1 . 1 15 15 LEU HA H 1 4.314 0.00 . 1 . . . . . 260 LEU HA . 50154 1 98 . 1 . 1 15 15 LEU HB2 H 1 1.540 0.00 . 2 . . . . . 260 LEU QB . 50154 1 99 . 1 . 1 15 15 LEU HB3 H 1 1.540 0.00 . 2 . . . . . 260 LEU QB . 50154 1 100 . 1 . 1 15 15 LEU C C 13 176.744 0.00 . 1 . . . . . 260 LEU C . 50154 1 101 . 1 . 1 15 15 LEU CA C 13 55.334 0.05 . 1 . . . . . 260 LEU CA . 50154 1 102 . 1 . 1 15 15 LEU CB C 13 42.458 0.09 . 1 . . . . . 260 LEU CB . 50154 1 103 . 1 . 1 15 15 LEU N N 15 122.806 0.04 . 1 . . . . . 260 LEU N . 50154 1 104 . 1 . 1 16 16 TYR H H 1 8.059 0.03 . 1 . . . . . 261 TYR H . 50154 1 105 . 1 . 1 16 16 TYR HA H 1 4.597 0.00 . 1 . . . . . 261 TYR HA . 50154 1 106 . 1 . 1 16 16 TYR HB2 H 1 2.968 0.00 . 2 . . . . . 261 TYR QB . 50154 1 107 . 1 . 1 16 16 TYR HB3 H 1 2.968 0.00 . 2 . . . . . 261 TYR QB . 50154 1 108 . 1 . 1 16 16 TYR C C 13 175.433 0.00 . 1 . . . . . 261 TYR C . 50154 1 109 . 1 . 1 16 16 TYR CA C 13 57.856 0.03 . 1 . . . . . 261 TYR CA . 50154 1 110 . 1 . 1 16 16 TYR CB C 13 38.865 0.04 . 1 . . . . . 261 TYR CB . 50154 1 111 . 1 . 1 16 16 TYR N N 15 120.270 0.05 . 1 . . . . . 261 TYR N . 50154 1 112 . 1 . 1 17 17 PHE H H 1 8.078 0.02 . 1 . . . . . 262 PHE H . 50154 1 113 . 1 . 1 17 17 PHE HA H 1 4.630 0.00 . 1 . . . . . 262 PHE HA . 50154 1 114 . 1 . 1 17 17 PHE HB2 H 1 3.102 0.00 . 2 . . . . . 262 PHE QB . 50154 1 115 . 1 . 1 17 17 PHE HB3 H 1 3.102 0.00 . 2 . . . . . 262 PHE QB . 50154 1 116 . 1 . 1 17 17 PHE C C 13 175.329 0.00 . 1 . . . . . 262 PHE C . 50154 1 117 . 1 . 1 17 17 PHE CA C 13 57.731 0.06 . 1 . . . . . 262 PHE CA . 50154 1 118 . 1 . 1 17 17 PHE CB C 13 39.737 0.10 . 1 . . . . . 262 PHE CB . 50154 1 119 . 1 . 1 17 17 PHE N N 15 121.723 0.05 . 1 . . . . . 262 PHE N . 50154 1 120 . 1 . 1 18 18 GLN H H 1 8.221 0.02 . 1 . . . . . 263 GLN H . 50154 1 121 . 1 . 1 18 18 GLN HA H 1 4.268 0.00 . 1 . . . . . 263 GLN HA . 50154 1 122 . 1 . 1 18 18 GLN HB2 H 1 2.150 0.00 . 2 . . . . . 263 GLN QB . 50154 1 123 . 1 . 1 18 18 GLN HB3 H 1 2.150 0.00 . 2 . . . . . 263 GLN QB . 50154 1 124 . 1 . 1 18 18 GLN C C 13 175.910 0.00 . 1 . . . . . 263 GLN C . 50154 1 125 . 1 . 1 18 18 GLN CA C 13 56.011 0.03 . 1 . . . . . 263 GLN CA . 50154 1 126 . 1 . 1 18 18 GLN CB C 13 29.337 0.10 . 1 . . . . . 263 GLN CB . 50154 1 127 . 1 . 1 18 18 GLN N N 15 122.270 0.04 . 1 . . . . . 263 GLN N . 50154 1 128 . 1 . 1 19 19 GLY H H 1 7.892 0.02 . 1 . . . . . 264 GLY H . 50154 1 129 . 1 . 1 19 19 GLY HA2 H 1 3.933 0.00 . 2 . . . . . 264 GLY QA . 50154 1 130 . 1 . 1 19 19 GLY HA3 H 1 3.933 0.00 . 2 . . . . . 264 GLY QA . 50154 1 131 . 1 . 1 19 19 GLY C C 13 173.676 0.00 . 1 . . . . . 264 GLY C . 50154 1 132 . 1 . 1 19 19 GLY CA C 13 45.382 0.05 . 1 . . . . . 264 GLY CA . 50154 1 133 . 1 . 1 19 19 GLY N N 15 108.731 0.04 . 1 . . . . . 264 GLY N . 50154 1 134 . 1 . 1 20 20 HIS H H 1 8.306 0.03 . 1 . . . . . 265 HIS H . 50154 1 135 . 1 . 1 20 20 HIS HA H 1 4.648 0.00 . 1 . . . . . 265 HIS HA . 50154 1 136 . 1 . 1 20 20 HIS HB2 H 1 3.333 0.00 . 2 . . . . . 265 HIS QB . 50154 1 137 . 1 . 1 20 20 HIS HB3 H 1 3.333 0.00 . 2 . . . . . 265 HIS QB . 50154 1 138 . 1 . 1 20 20 HIS C C 13 174.243 0.00 . 1 . . . . . 265 HIS C . 50154 1 139 . 1 . 1 20 20 HIS CA C 13 55.317 0.12 . 1 . . . . . 265 HIS CA . 50154 1 140 . 1 . 1 20 20 HIS CB C 13 29.239 0.00 . 1 . . . . . 265 HIS CB . 50154 1 141 . 1 . 1 20 20 HIS N N 15 117.820 0.04 . 1 . . . . . 265 HIS N . 50154 1 142 . 1 . 1 21 21 MET H H 1 8.410 0.02 . 1 . . . . . 266 MET H . 50154 1 143 . 1 . 1 21 21 MET HB2 H 1 2.064 0.00 . 2 . . . . . 266 MET QB . 50154 1 144 . 1 . 1 21 21 MET HB3 H 1 2.064 0.00 . 2 . . . . . 266 MET QB . 50154 1 145 . 1 . 1 21 21 MET C C 13 175.608 0.00 . 1 . . . . . 266 MET C . 50154 1 146 . 1 . 1 21 21 MET CA C 13 55.587 0.02 . 1 . . . . . 266 MET CA . 50154 1 147 . 1 . 1 21 21 MET CB C 13 33.081 0.00 . 1 . . . . . 266 MET CB . 50154 1 148 . 1 . 1 21 21 MET N N 15 121.443 0.06 . 1 . . . . . 266 MET N . 50154 1 149 . 1 . 1 22 22 ASN H H 1 8.482 0.02 . 1 . . . . . 267 ASN H . 50154 1 150 . 1 . 1 22 22 ASN HA H 1 4.408 0.00 . 1 . . . . . 267 ASN HA . 50154 1 151 . 1 . 1 22 22 ASN HB2 H 1 2.883 0.00 . 2 . . . . . 267 ASN QB . 50154 1 152 . 1 . 1 22 22 ASN HB3 H 1 2.883 0.00 . 2 . . . . . 267 ASN QB . 50154 1 153 . 1 . 1 22 22 ASN C C 13 175.189 0.00 . 1 . . . . . 267 ASN C . 50154 1 154 . 1 . 1 22 22 ASN CA C 13 53.375 0.06 . 1 . . . . . 267 ASN CA . 50154 1 155 . 1 . 1 22 22 ASN CB C 13 38.825 0.06 . 1 . . . . . 267 ASN CB . 50154 1 156 . 1 . 1 22 22 ASN N N 15 120.537 0.03 . 1 . . . . . 267 ASN N . 50154 1 157 . 1 . 1 23 23 ARG H H 1 8.355 0.02 . 1 . . . . . 268 ARG H . 50154 1 158 . 1 . 1 23 23 ARG HA H 1 4.340 0.00 . 1 . . . . . 268 ARG HA . 50154 1 159 . 1 . 1 23 23 ARG HB2 H 1 1.828 0.00 . 2 . . . . . 268 ARG QB . 50154 1 160 . 1 . 1 23 23 ARG HB3 H 1 1.828 0.00 . 2 . . . . . 268 ARG QB . 50154 1 161 . 1 . 1 23 23 ARG C C 13 176.246 0.00 . 1 . . . . . 268 ARG C . 50154 1 162 . 1 . 1 23 23 ARG CA C 13 56.589 0.03 . 1 . . . . . 268 ARG CA . 50154 1 163 . 1 . 1 23 23 ARG CB C 13 30.718 0.11 . 1 . . . . . 268 ARG CB . 50154 1 164 . 1 . 1 23 23 ARG N N 15 121.938 0.03 . 1 . . . . . 268 ARG N . 50154 1 165 . 1 . 1 24 24 GLN H H 1 8.369 0.02 . 1 . . . . . 269 GLN H . 50154 1 166 . 1 . 1 24 24 GLN HA H 1 4.320 0.00 . 1 . . . . . 269 GLN HA . 50154 1 167 . 1 . 1 24 24 GLN HB2 H 1 2.152 0.00 . 2 . . . . . 269 GLN QB . 50154 1 168 . 1 . 1 24 24 GLN HB3 H 1 2.152 0.00 . 2 . . . . . 269 GLN QB . 50154 1 169 . 1 . 1 24 24 GLN C C 13 176.089 0.00 . 1 . . . . . 269 GLN C . 50154 1 170 . 1 . 1 24 24 GLN CA C 13 56.012 0.41 . 1 . . . . . 269 GLN CA . 50154 1 171 . 1 . 1 24 24 GLN CB C 13 29.239 0.07 . 1 . . . . . 269 GLN CB . 50154 1 172 . 1 . 1 24 24 GLN CG C 13 33.480 0.00 . 1 . . . . . 269 GLN CG . 50154 1 173 . 1 . 1 24 24 GLN N N 15 120.910 0.04 . 1 . . . . . 269 GLN N . 50154 1 174 . 1 . 1 25 25 LEU H H 1 8.147 0.03 . 1 . . . . . 270 LEU H . 50154 1 175 . 1 . 1 25 25 LEU HA H 1 4.450 0.00 . 1 . . . . . 270 LEU HA . 50154 1 176 . 1 . 1 25 25 LEU HB2 H 1 1.640 0.00 . 2 . . . . . 270 LEU QB . 50154 1 177 . 1 . 1 25 25 LEU HB3 H 1 1.640 0.00 . 2 . . . . . 270 LEU QB . 50154 1 178 . 1 . 1 25 25 LEU C C 13 177.351 0.00 . 1 . . . . . 270 LEU C . 50154 1 179 . 1 . 1 25 25 LEU CA C 13 55.625 0.12 . 1 . . . . . 270 LEU CA . 50154 1 180 . 1 . 1 25 25 LEU CB C 13 42.343 0.12 . 1 . . . . . 270 LEU CB . 50154 1 181 . 1 . 1 25 25 LEU N N 15 122.796 0.07 . 1 . . . . . 270 LEU N . 50154 1 182 . 1 . 1 26 26 GLU H H 1 8.240 0.02 . 1 . . . . . 271 GLU H . 50154 1 183 . 1 . 1 26 26 GLU HA H 1 4.404 0.00 . 1 . . . . . 271 GLU HA . 50154 1 184 . 1 . 1 26 26 GLU HB2 H 1 2.042 0.00 . 2 . . . . . 271 GLU QB . 50154 1 185 . 1 . 1 26 26 GLU HB3 H 1 2.042 0.00 . 2 . . . . . 271 GLU QB . 50154 1 186 . 1 . 1 26 26 GLU C C 13 176.140 0.00 . 1 . . . . . 271 GLU C . 50154 1 187 . 1 . 1 26 26 GLU CA C 13 56.147 0.10 . 1 . . . . . 271 GLU CA . 50154 1 188 . 1 . 1 26 26 GLU CB C 13 29.380 0.09 . 1 . . . . . 271 GLU CB . 50154 1 189 . 1 . 1 26 26 GLU N N 15 121.108 0.07 . 1 . . . . . 271 GLU N . 50154 1 190 . 1 . 1 27 27 ARG H H 1 8.334 0.02 . 1 . . . . . 272 ARG H . 50154 1 191 . 1 . 1 27 27 ARG HA H 1 4.435 0.00 . 1 . . . . . 272 ARG HA . 50154 1 192 . 1 . 1 27 27 ARG HB2 H 1 1.828 0.00 . 2 . . . . . 272 ARG QB . 50154 1 193 . 1 . 1 27 27 ARG HB3 H 1 1.828 0.00 . 2 . . . . . 272 ARG QB . 50154 1 194 . 1 . 1 27 27 ARG C C 13 176.190 0.00 . 1 . . . . . 272 ARG C . 50154 1 195 . 1 . 1 27 27 ARG CA C 13 56.292 0.04 . 1 . . . . . 272 ARG CA . 50154 1 196 . 1 . 1 27 27 ARG CB C 13 30.868 0.11 . 1 . . . . . 272 ARG CB . 50154 1 197 . 1 . 1 27 27 ARG CG C 13 28.139 0.00 . 1 . . . . . 272 ARG CG . 50154 1 198 . 1 . 1 27 27 ARG N N 15 121.961 0.07 . 1 . . . . . 272 ARG N . 50154 1 199 . 1 . 1 28 28 SER H H 1 8.273 0.03 . 1 . . . . . 273 SER H . 50154 1 200 . 1 . 1 28 28 SER HA H 1 4.487 0.00 . 1 . . . . . 273 SER HA . 50154 1 201 . 1 . 1 28 28 SER HB2 H 1 3.945 0.00 . 2 . . . . . 273 SER QB . 50154 1 202 . 1 . 1 28 28 SER HB3 H 1 3.945 0.00 . 2 . . . . . 273 SER QB . 50154 1 203 . 1 . 1 28 28 SER C C 13 174.976 0.00 . 1 . . . . . 273 SER C . 50154 1 204 . 1 . 1 28 28 SER CA C 13 58.429 0.02 . 1 . . . . . 273 SER CA . 50154 1 205 . 1 . 1 28 28 SER CB C 13 64.081 0.00 . 1 . . . . . 273 SER CB . 50154 1 206 . 1 . 1 28 28 SER N N 15 116.406 0.06 . 1 . . . . . 273 SER N . 50154 1 207 . 1 . 1 29 29 GLY H H 1 8.367 0.00 . 1 . . . . . 274 GLY H . 50154 1 208 . 1 . 1 29 29 GLY HA2 H 1 4.034 0.00 . 2 . . . . . 274 GLY QA . 50154 1 209 . 1 . 1 29 29 GLY HA3 H 1 4.034 0.00 . 2 . . . . . 274 GLY QA . 50154 1 210 . 1 . 1 29 29 GLY C C 13 173.987 0.00 . 1 . . . . . 274 GLY C . 50154 1 211 . 1 . 1 29 29 GLY CA C 13 45.357 0.02 . 1 . . . . . 274 GLY CA . 50154 1 212 . 1 . 1 29 29 GLY N N 15 110.640 0.10 . 1 . . . . . 274 GLY N . 50154 1 213 . 1 . 1 30 30 ARG H H 1 8.071 0.03 . 1 . . . . . 275 ARG H . 50154 1 214 . 1 . 1 30 30 ARG HA H 1 4.317 0.00 . 1 . . . . . 275 ARG HA . 50154 1 215 . 1 . 1 30 30 ARG HB2 H 1 1.691 0.00 . 2 . . . . . 275 ARG QB . 50154 1 216 . 1 . 1 30 30 ARG HB3 H 1 1.691 0.00 . 2 . . . . . 275 ARG QB . 50154 1 217 . 1 . 1 30 30 ARG C C 13 176.035 0.00 . 1 . . . . . 275 ARG C . 50154 1 218 . 1 . 1 30 30 ARG CA C 13 56.190 0.04 . 1 . . . . . 275 ARG CA . 50154 1 219 . 1 . 1 30 30 ARG CB C 13 30.889 0.20 . 1 . . . . . 275 ARG CB . 50154 1 220 . 1 . 1 30 30 ARG CG C 13 26.898 0.00 . 1 . . . . . 275 ARG CG . 50154 1 221 . 1 . 1 30 30 ARG N N 15 120.357 0.09 . 1 . . . . . 275 ARG N . 50154 1 222 . 1 . 1 31 31 PHE H H 1 8.298 0.03 . 1 . . . . . 276 PHE H . 50154 1 223 . 1 . 1 31 31 PHE C C 13 176.190 0.00 . 1 . . . . . 276 PHE C . 50154 1 224 . 1 . 1 31 31 PHE CA C 13 57.580 0.05 . 1 . . . . . 276 PHE CA . 50154 1 225 . 1 . 1 31 31 PHE CB C 13 39.719 0.00 . 1 . . . . . 276 PHE CB . 50154 1 226 . 1 . 1 31 31 PHE N N 15 120.915 0.04 . 1 . . . . . 276 PHE N . 50154 1 227 . 1 . 1 32 32 GLY H H 1 8.245 0.03 . 1 . . . . . 277 GLY H . 50154 1 228 . 1 . 1 32 32 GLY HA2 H 1 3.993 0.00 . 2 . . . . . 277 GLY QA . 50154 1 229 . 1 . 1 32 32 GLY HA3 H 1 3.993 0.00 . 2 . . . . . 277 GLY QA . 50154 1 230 . 1 . 1 32 32 GLY C C 13 174.248 0.00 . 1 . . . . . 277 GLY C . 50154 1 231 . 1 . 1 32 32 GLY CA C 13 45.428 0.05 . 1 . . . . . 277 GLY CA . 50154 1 232 . 1 . 1 32 32 GLY N N 15 110.658 0.05 . 1 . . . . . 277 GLY N . 50154 1 233 . 1 . 1 33 33 GLY H H 1 7.891 0.02 . 1 . . . . . 278 GLY H . 50154 1 234 . 1 . 1 33 33 GLY HA2 H 1 3.990 0.00 . 2 . . . . . 278 GLY QA . 50154 1 235 . 1 . 1 33 33 GLY HA3 H 1 3.990 0.00 . 2 . . . . . 278 GLY QA . 50154 1 236 . 1 . 1 33 33 GLY C C 13 173.301 0.00 . 1 . . . . . 278 GLY C . 50154 1 237 . 1 . 1 33 33 GLY CA C 13 45.040 0.04 . 1 . . . . . 278 GLY CA . 50154 1 238 . 1 . 1 33 33 GLY N N 15 107.880 0.03 . 1 . . . . . 278 GLY N . 50154 1 239 . 1 . 1 34 34 ASN H H 1 8.324 0.03 . 1 . . . . . 279 ASN H . 50154 1 240 . 1 . 1 34 34 ASN CA C 13 51.329 0.00 . 1 . . . . . 279 ASN CA . 50154 1 241 . 1 . 1 34 34 ASN N N 15 119.052 0.04 . 1 . . . . . 279 ASN N . 50154 1 242 . 1 . 1 35 35 PRO HA H 1 4.417 0.00 . 1 . . . . . 280 PRO HA . 50154 1 243 . 1 . 1 35 35 PRO HB2 H 1 2.040 0.00 . 2 . . . . . 280 PRO QB . 50154 1 244 . 1 . 1 35 35 PRO HB3 H 1 2.040 0.00 . 2 . . . . . 280 PRO QB . 50154 1 245 . 1 . 1 35 35 PRO C C 13 177.349 0.00 . 1 . . . . . 280 PRO C . 50154 1 246 . 1 . 1 35 35 PRO CA C 13 63.830 0.11 . 1 . . . . . 280 PRO CA . 50154 1 247 . 1 . 1 35 35 PRO CB C 13 32.028 0.14 . 1 . . . . . 280 PRO CB . 50154 1 248 . 1 . 1 36 36 GLY H H 1 8.357 0.03 . 1 . . . . . 281 GLY H . 50154 1 249 . 1 . 1 36 36 GLY HA2 H 1 3.965 0.00 . 2 . . . . . 281 GLY QA . 50154 1 250 . 1 . 1 36 36 GLY HA3 H 1 3.965 0.00 . 2 . . . . . 281 GLY QA . 50154 1 251 . 1 . 1 36 36 GLY C C 13 174.385 0.00 . 1 . . . . . 281 GLY C . 50154 1 252 . 1 . 1 36 36 GLY CA C 13 45.415 0.12 . 1 . . . . . 281 GLY CA . 50154 1 253 . 1 . 1 36 36 GLY N N 15 108.664 0.11 . 1 . . . . . 281 GLY N . 50154 1 254 . 1 . 1 37 37 GLY H H 1 8.029 0.02 . 1 . . . . . 282 GLY H . 50154 1 255 . 1 . 1 37 37 GLY HA2 H 1 3.945 0.00 . 2 . . . . . 282 GLY QA . 50154 1 256 . 1 . 1 37 37 GLY HA3 H 1 3.945 0.00 . 2 . . . . . 282 GLY QA . 50154 1 257 . 1 . 1 37 37 GLY C C 13 173.891 0.00 . 1 . . . . . 282 GLY C . 50154 1 258 . 1 . 1 37 37 GLY CA C 13 45.233 0.06 . 1 . . . . . 282 GLY CA . 50154 1 259 . 1 . 1 37 37 GLY N N 15 108.177 0.03 . 1 . . . . . 282 GLY N . 50154 1 260 . 1 . 1 38 38 PHE H H 1 8.117 0.03 . 1 . . . . . 283 PHE H . 50154 1 261 . 1 . 1 38 38 PHE HA H 1 4.680 0.00 . 1 . . . . . 283 PHE HA . 50154 1 262 . 1 . 1 38 38 PHE HB2 H 1 3.242 0.00 . 2 . . . . . 283 PHE HB2 . 50154 1 263 . 1 . 1 38 38 PHE HB3 H 1 3.072 0.00 . 2 . . . . . 283 PHE HB3 . 50154 1 264 . 1 . 1 38 38 PHE C C 13 176.352 0.00 . 1 . . . . . 283 PHE C . 50154 1 265 . 1 . 1 38 38 PHE CA C 13 57.866 0.00 . 1 . . . . . 283 PHE CA . 50154 1 266 . 1 . 1 38 38 PHE CB C 13 39.707 0.00 . 1 . . . . . 283 PHE CB . 50154 1 267 . 1 . 1 38 38 PHE N N 15 119.704 0.05 . 1 . . . . . 283 PHE N . 50154 1 268 . 1 . 1 39 39 GLY H H 1 8.381 0.01 . 1 . . . . . 284 GLY H . 50154 1 269 . 1 . 1 39 39 GLY HA2 H 1 4.019 0.00 . 2 . . . . . 284 GLY QA . 50154 1 270 . 1 . 1 39 39 GLY HA3 H 1 4.019 0.00 . 2 . . . . . 284 GLY QA . 50154 1 271 . 1 . 1 39 39 GLY C C 13 173.880 0.00 . 1 . . . . . 284 GLY C . 50154 1 272 . 1 . 1 39 39 GLY CA C 13 45.509 0.07 . 1 . . . . . 284 GLY CA . 50154 1 273 . 1 . 1 39 39 GLY N N 15 110.579 0.12 . 1 . . . . . 284 GLY N . 50154 1 274 . 1 . 1 40 40 ASN H H 1 8.259 0.03 . 1 . . . . . 285 ASN H . 50154 1 275 . 1 . 1 40 40 ASN HA H 1 4.607 0.00 . 1 . . . . . 285 ASN HA . 50154 1 276 . 1 . 1 40 40 ASN HB2 H 1 2.849 0.00 . 2 . . . . . 285 ASN QB . 50154 1 277 . 1 . 1 40 40 ASN HB3 H 1 2.849 0.00 . 2 . . . . . 285 ASN QB . 50154 1 278 . 1 . 1 40 40 ASN C C 13 175.423 0.00 . 1 . . . . . 285 ASN C . 50154 1 279 . 1 . 1 40 40 ASN CA C 13 53.291 0.07 . 1 . . . . . 285 ASN CA . 50154 1 280 . 1 . 1 40 40 ASN CB C 13 38.898 0.10 . 1 . . . . . 285 ASN CB . 50154 1 281 . 1 . 1 40 40 ASN N N 15 118.605 0.05 . 1 . . . . . 285 ASN N . 50154 1 282 . 1 . 1 41 41 GLN H H 1 8.438 0.02 . 1 . . . . . 286 GLN H . 50154 1 283 . 1 . 1 41 41 GLN HA H 1 4.409 0.00 . 1 . . . . . 286 GLN HA . 50154 1 284 . 1 . 1 41 41 GLN HB2 H 1 2.072 0.00 . 2 . . . . . 286 GLN QB . 50154 1 285 . 1 . 1 41 41 GLN HB3 H 1 2.072 0.00 . 2 . . . . . 286 GLN QB . 50154 1 286 . 1 . 1 41 41 GLN C C 13 176.513 0.00 . 1 . . . . . 286 GLN C . 50154 1 287 . 1 . 1 41 41 GLN CA C 13 56.191 0.00 . 1 . . . . . 286 GLN CA . 50154 1 288 . 1 . 1 41 41 GLN CB C 13 29.447 0.00 . 1 . . . . . 286 GLN CB . 50154 1 289 . 1 . 1 41 41 GLN N N 15 120.495 0.06 . 1 . . . . . 286 GLN N . 50154 1 290 . 1 . 1 42 42 GLY H H 1 8.358 0.02 . 1 . . . . . 287 GLY H . 50154 1 291 . 1 . 1 42 42 GLY HA2 H 1 4.002 0.00 . 2 . . . . . 287 GLY QA . 50154 1 292 . 1 . 1 42 42 GLY HA3 H 1 4.002 0.00 . 2 . . . . . 287 GLY QA . 50154 1 293 . 1 . 1 42 42 GLY C C 13 174.370 0.00 . 1 . . . . . 287 GLY C . 50154 1 294 . 1 . 1 42 42 GLY CA C 13 45.502 0.05 . 1 . . . . . 287 GLY CA . 50154 1 295 . 1 . 1 42 42 GLY N N 15 109.406 0.02 . 1 . . . . . 287 GLY N . 50154 1 296 . 1 . 1 43 43 GLY H H 1 8.098 0.02 . 1 . . . . . 288 GLY H . 50154 1 297 . 1 . 1 43 43 GLY HA2 H 1 3.942 0.00 . 2 . . . . . 288 GLY QA . 50154 1 298 . 1 . 1 43 43 GLY HA3 H 1 3.942 0.00 . 2 . . . . . 288 GLY QA . 50154 1 299 . 1 . 1 43 43 GLY C C 13 173.893 0.00 . 1 . . . . . 288 GLY C . 50154 1 300 . 1 . 1 43 43 GLY CA C 13 45.207 0.03 . 1 . . . . . 288 GLY CA . 50154 1 301 . 1 . 1 43 43 GLY N N 15 108.332 0.03 . 1 . . . . . 288 GLY N . 50154 1 302 . 1 . 1 44 44 PHE H H 1 8.123 0.02 . 1 . . . . . 289 PHE H . 50154 1 303 . 1 . 1 44 44 PHE HA H 1 4.666 0.00 . 1 . . . . . 289 PHE HA . 50154 1 304 . 1 . 1 44 44 PHE HB2 H 1 3.225 0.00 . 1 . . . . . 289 PHE HB2 . 50154 1 305 . 1 . 1 44 44 PHE HB3 H 1 3.050 0.00 . 1 . . . . . 289 PHE HB3 . 50154 1 306 . 1 . 1 44 44 PHE C C 13 176.384 0.00 . 1 . . . . . 289 PHE C . 50154 1 307 . 1 . 1 44 44 PHE CA C 13 57.937 0.06 . 1 . . . . . 289 PHE CA . 50154 1 308 . 1 . 1 44 44 PHE CB C 13 39.774 0.00 . 1 . . . . . 289 PHE CB . 50154 1 309 . 1 . 1 44 44 PHE N N 15 119.748 0.11 . 1 . . . . . 289 PHE N . 50154 1 310 . 1 . 1 45 45 GLY H H 1 8.383 0.02 . 1 . . . . . 290 GLY H . 50154 1 311 . 1 . 1 45 45 GLY HA2 H 1 4.010 0.00 . 2 . . . . . 290 GLY QA . 50154 1 312 . 1 . 1 45 45 GLY HA3 H 1 4.010 0.00 . 2 . . . . . 290 GLY QA . 50154 1 313 . 1 . 1 45 45 GLY C C 13 173.870 0.00 . 1 . . . . . 290 GLY C . 50154 1 314 . 1 . 1 45 45 GLY CA C 13 45.396 0.00 . 1 . . . . . 290 GLY CA . 50154 1 315 . 1 . 1 45 45 GLY N N 15 110.259 0.03 . 1 . . . . . 290 GLY N . 50154 1 316 . 1 . 1 46 46 ASN H H 1 8.257 0.02 . 1 . . . . . 291 ASN H . 50154 1 317 . 1 . 1 46 46 ASN HA H 1 4.452 0.00 . 1 . . . . . 291 ASN HA . 50154 1 318 . 1 . 1 46 46 ASN HB2 H 1 2.843 0.00 . 2 . . . . . 291 ASN QB . 50154 1 319 . 1 . 1 46 46 ASN HB3 H 1 2.843 0.00 . 2 . . . . . 291 ASN QB . 50154 1 320 . 1 . 1 46 46 ASN C C 13 175.428 0.00 . 1 . . . . . 291 ASN C . 50154 1 321 . 1 . 1 46 46 ASN CA C 13 53.184 0.03 . 1 . . . . . 291 ASN CA . 50154 1 322 . 1 . 1 46 46 ASN CB C 13 39.035 0.09 . 1 . . . . . 291 ASN CB . 50154 1 323 . 1 . 1 46 46 ASN N N 15 118.741 0.08 . 1 . . . . . 291 ASN N . 50154 1 324 . 1 . 1 47 47 SER H H 1 8.302 0.02 . 1 . . . . . 292 SER H . 50154 1 325 . 1 . 1 47 47 SER HA H 1 4.517 0.00 . 1 . . . . . 292 SER HA . 50154 1 326 . 1 . 1 47 47 SER HB2 H 1 3.968 0.00 . 2 . . . . . 292 SER QB . 50154 1 327 . 1 . 1 47 47 SER HB3 H 1 3.968 0.00 . 2 . . . . . 292 SER QB . 50154 1 328 . 1 . 1 47 47 SER C C 13 174.650 0.00 . 1 . . . . . 292 SER C . 50154 1 329 . 1 . 1 47 47 SER CA C 13 58.684 0.06 . 1 . . . . . 292 SER CA . 50154 1 330 . 1 . 1 47 47 SER CB C 13 63.884 0.01 . 1 . . . . . 292 SER CB . 50154 1 331 . 1 . 1 47 47 SER N N 15 116.216 0.03 . 1 . . . . . 292 SER N . 50154 1 332 . 1 . 1 48 48 ARG H H 1 8.361 0.02 . 1 . . . . . 293 ARG H . 50154 1 333 . 1 . 1 48 48 ARG HA H 1 4.448 0.00 . 1 . . . . . 293 ARG HA . 50154 1 334 . 1 . 1 48 48 ARG HB2 H 1 1.825 0.00 . 1 . . . . . 293 ARG QB . 50154 1 335 . 1 . 1 48 48 ARG HB3 H 1 1.825 0.00 . 1 . . . . . 293 ARG QB . 50154 1 336 . 1 . 1 48 48 ARG C C 13 176.724 0.00 . 1 . . . . . 293 ARG C . 50154 1 337 . 1 . 1 48 48 ARG CA C 13 56.282 0.06 . 1 . . . . . 293 ARG CA . 50154 1 338 . 1 . 1 48 48 ARG CB C 13 30.728 0.00 . 1 . . . . . 293 ARG CB . 50154 1 339 . 1 . 1 48 48 ARG CG C 13 27.569 0.00 . 1 . . . . . 293 ARG CG . 50154 1 340 . 1 . 1 48 48 ARG N N 15 122.491 0.04 . 1 . . . . . 293 ARG N . 50154 1 341 . 1 . 1 49 49 GLY H H 1 8.308 0.03 . 1 . . . . . 294 GLY H . 50154 1 342 . 1 . 1 49 49 GLY HA2 H 1 4.051 0.00 . 2 . . . . . 294 GLY QA . 50154 1 343 . 1 . 1 49 49 GLY HA3 H 1 4.051 0.00 . 2 . . . . . 294 GLY QA . 50154 1 344 . 1 . 1 49 49 GLY C C 13 174.575 0.00 . 1 . . . . . 294 GLY C . 50154 1 345 . 1 . 1 49 49 GLY CA C 13 45.423 0.05 . 1 . . . . . 294 GLY CA . 50154 1 346 . 1 . 1 49 49 GLY N N 15 109.491 0.04 . 1 . . . . . 294 GLY N . 50154 1 347 . 1 . 1 50 50 GLY H H 1 8.244 0.02 . 1 . . . . . 295 GLY H . 50154 1 348 . 1 . 1 50 50 GLY HA2 H 1 4.050 0.00 . 2 . . . . . 295 GLY QA . 50154 1 349 . 1 . 1 50 50 GLY HA3 H 1 4.050 0.00 . 2 . . . . . 295 GLY QA . 50154 1 350 . 1 . 1 50 50 GLY C C 13 174.579 0.00 . 1 . . . . . 295 GLY C . 50154 1 351 . 1 . 1 50 50 GLY CA C 13 45.420 0.07 . 1 . . . . . 295 GLY CA . 50154 1 352 . 1 . 1 50 50 GLY N N 15 108.652 0.04 . 1 . . . . . 295 GLY N . 50154 1 353 . 1 . 1 51 51 GLY H H 1 8.277 0.02 . 1 . . . . . 296 GLY H . 50154 1 354 . 1 . 1 51 51 GLY HA2 H 1 4.036 0.00 . 2 . . . . . 296 GLY QA . 50154 1 355 . 1 . 1 51 51 GLY HA3 H 1 4.036 0.00 . 2 . . . . . 296 GLY QA . 50154 1 356 . 1 . 1 51 51 GLY C C 13 173.894 0.00 . 1 . . . . . 296 GLY C . 50154 1 357 . 1 . 1 51 51 GLY CA C 13 45.307 0.06 . 1 . . . . . 296 GLY CA . 50154 1 358 . 1 . 1 51 51 GLY N N 15 108.792 0.06 . 1 . . . . . 296 GLY N . 50154 1 359 . 1 . 1 52 52 ALA H H 1 8.214 0.03 . 1 . . . . . 297 ALA H . 50154 1 360 . 1 . 1 52 52 ALA HA H 1 4.407 0.00 . 1 . . . . . 297 ALA HA . 50154 1 361 . 1 . 1 52 52 ALA HB1 H 1 1.463 0.00 . 2 . . . . . 297 ALA HB . 50154 1 362 . 1 . 1 52 52 ALA HB2 H 1 1.463 0.00 . 2 . . . . . 297 ALA HB . 50154 1 363 . 1 . 1 52 52 ALA HB3 H 1 1.463 0.00 . 2 . . . . . 297 ALA HB . 50154 1 364 . 1 . 1 52 52 ALA C C 13 178.153 0.00 . 1 . . . . . 297 ALA C . 50154 1 365 . 1 . 1 52 52 ALA CA C 13 52.666 0.10 . 1 . . . . . 297 ALA CA . 50154 1 366 . 1 . 1 52 52 ALA CB C 13 19.316 0.10 . 1 . . . . . 297 ALA CB . 50154 1 367 . 1 . 1 52 52 ALA N N 15 123.639 0.03 . 1 . . . . . 297 ALA N . 50154 1 368 . 1 . 1 53 53 GLY H H 1 8.341 0.02 . 1 . . . . . 298 GLY H . 50154 1 369 . 1 . 1 53 53 GLY HA2 H 1 4.021 0.00 . 2 . . . . . 298 GLY QA . 50154 1 370 . 1 . 1 53 53 GLY HA3 H 1 4.021 0.00 . 2 . . . . . 298 GLY QA . 50154 1 371 . 1 . 1 53 53 GLY C C 13 174.156 0.00 . 1 . . . . . 298 GLY C . 50154 1 372 . 1 . 1 53 53 GLY CA C 13 45.419 0.05 . 1 . . . . . 298 GLY CA . 50154 1 373 . 1 . 1 53 53 GLY N N 15 107.967 0.03 . 1 . . . . . 298 GLY N . 50154 1 374 . 1 . 1 54 54 LEU H H 1 8.077 0.03 . 1 . . . . . 299 LEU H . 50154 1 375 . 1 . 1 54 54 LEU HA H 1 4.400 0.00 . 1 . . . . . 299 LEU HA . 50154 1 376 . 1 . 1 54 54 LEU HB2 H 1 1.690 0.00 . 2 . . . . . 299 LEU QB . 50154 1 377 . 1 . 1 54 54 LEU HB3 H 1 1.690 0.00 . 2 . . . . . 299 LEU QB . 50154 1 378 . 1 . 1 54 54 LEU C C 13 177.902 0.00 . 1 . . . . . 299 LEU C . 50154 1 379 . 1 . 1 54 54 LEU CA C 13 55.262 0.07 . 1 . . . . . 299 LEU CA . 50154 1 380 . 1 . 1 54 54 LEU CB C 13 42.357 0.20 . 1 . . . . . 299 LEU CB . 50154 1 381 . 1 . 1 54 54 LEU CG C 13 26.517 0.00 . 1 . . . . . 299 LEU CG . 50154 1 382 . 1 . 1 54 54 LEU N N 15 121.279 0.04 . 1 . . . . . 299 LEU N . 50154 1 383 . 1 . 1 55 55 GLY H H 1 8.388 0.03 . 1 . . . . . 300 GLY H . 50154 1 384 . 1 . 1 55 55 GLY HA2 H 1 4.012 0.00 . 2 . . . . . 300 GLY QA . 50154 1 385 . 1 . 1 55 55 GLY HA3 H 1 4.012 0.00 . 2 . . . . . 300 GLY QA . 50154 1 386 . 1 . 1 55 55 GLY C C 13 173.891 0.00 . 1 . . . . . 300 GLY C . 50154 1 387 . 1 . 1 55 55 GLY CA C 13 45.517 0.04 . 1 . . . . . 300 GLY CA . 50154 1 388 . 1 . 1 55 55 GLY N N 15 109.133 0.04 . 1 . . . . . 300 GLY N . 50154 1 389 . 1 . 1 56 56 ASN H H 1 8.268 0.02 . 1 . . . . . 301 ASN H . 50154 1 390 . 1 . 1 56 56 ASN HA H 1 4.794 0.00 . 1 . . . . . 301 ASN HA . 50154 1 391 . 1 . 1 56 56 ASN HB2 H 1 2.855 0.00 . 2 . . . . . 301 ASN QB . 50154 1 392 . 1 . 1 56 56 ASN HB3 H 1 2.855 0.00 . 2 . . . . . 301 ASN QB . 50154 1 393 . 1 . 1 56 56 ASN C C 13 175.094 0.00 . 1 . . . . . 301 ASN C . 50154 1 394 . 1 . 1 56 56 ASN CA C 13 53.191 0.03 . 1 . . . . . 301 ASN CA . 50154 1 395 . 1 . 1 56 56 ASN CB C 13 39.005 0.00 . 1 . . . . . 301 ASN CB . 50154 1 396 . 1 . 1 56 56 ASN N N 15 118.472 0.05 . 1 . . . . . 301 ASN N . 50154 1 397 . 1 . 1 57 57 ASN H H 1 8.463 0.00 . 1 . . . . . 302 ASN H . 50154 1 398 . 1 . 1 57 57 ASN HA H 1 4.785 0.00 . 1 . . . . . 302 ASN HA . 50154 1 399 . 1 . 1 57 57 ASN HB2 H 1 2.878 0.00 . 2 . . . . . 302 ASN QB . 50154 1 400 . 1 . 1 57 57 ASN HB3 H 1 2.878 0.00 . 2 . . . . . 302 ASN QB . 50154 1 401 . 1 . 1 57 57 ASN C C 13 175.223 0.00 . 1 . . . . . 302 ASN C . 50154 1 402 . 1 . 1 57 57 ASN CA C 13 53.530 0.00 . 1 . . . . . 302 ASN CA . 50154 1 403 . 1 . 1 57 57 ASN CB C 13 38.685 0.00 . 1 . . . . . 302 ASN CB . 50154 1 404 . 1 . 1 57 57 ASN N N 15 119.102 0.01 . 1 . . . . . 302 ASN N . 50154 1 405 . 1 . 1 58 58 GLN H H 1 8.351 0.01 . 1 . . . . . 303 GLN H . 50154 1 406 . 1 . 1 58 58 GLN HA H 1 4.413 0.00 . 1 . . . . . 303 GLN HA . 50154 1 407 . 1 . 1 58 58 GLN HB2 H 1 2.075 0.00 . 2 . . . . . 303 GLN QB . 50154 1 408 . 1 . 1 58 58 GLN HB3 H 1 2.075 0.00 . 2 . . . . . 303 GLN QB . 50154 1 409 . 1 . 1 58 58 GLN C C 13 176.409 0.00 . 1 . . . . . 303 GLN C . 50154 1 410 . 1 . 1 58 58 GLN CA C 13 56.088 0.00 . 1 . . . . . 303 GLN CA . 50154 1 411 . 1 . 1 58 58 GLN CB C 13 29.424 0.03 . 1 . . . . . 303 GLN CB . 50154 1 412 . 1 . 1 58 58 GLN CG C 13 34.193 0.00 . 1 . . . . . 303 GLN CG . 50154 1 413 . 1 . 1 58 58 GLN N N 15 120.239 0.11 . 1 . . . . . 303 GLN N . 50154 1 414 . 1 . 1 59 59 GLY H H 1 8.370 0.03 . 1 . . . . . 304 GLY H . 50154 1 415 . 1 . 1 59 59 GLY HA2 H 1 4.042 0.00 . 2 . . . . . 304 GLY QA . 50154 1 416 . 1 . 1 59 59 GLY HA3 H 1 4.042 0.00 . 2 . . . . . 304 GLY QA . 50154 1 417 . 1 . 1 59 59 GLY C C 13 174.127 0.00 . 1 . . . . . 304 GLY C . 50154 1 418 . 1 . 1 59 59 GLY CA C 13 45.530 0.00 . 1 . . . . . 304 GLY CA . 50154 1 419 . 1 . 1 59 59 GLY N N 15 109.473 0.08 . 1 . . . . . 304 GLY N . 50154 1 420 . 1 . 1 60 60 SER H H 1 8.167 0.02 . 1 . . . . . 305 SER H . 50154 1 421 . 1 . 1 60 60 SER HA H 1 4.514 0.00 . 1 . . . . . 305 SER HA . 50154 1 422 . 1 . 1 60 60 SER HB2 H 1 3.918 0.00 . 2 . . . . . 305 SER QB . 50154 1 423 . 1 . 1 60 60 SER HB3 H 1 3.918 0.00 . 2 . . . . . 305 SER QB . 50154 1 424 . 1 . 1 60 60 SER C C 13 174.385 0.00 . 1 . . . . . 305 SER C . 50154 1 425 . 1 . 1 60 60 SER CA C 13 58.404 0.02 . 1 . . . . . 305 SER CA . 50154 1 426 . 1 . 1 60 60 SER CB C 13 64.031 0.00 . 1 . . . . . 305 SER CB . 50154 1 427 . 1 . 1 60 60 SER N N 15 115.404 0.08 . 1 . . . . . 305 SER N . 50154 1 428 . 1 . 1 61 61 ASN H H 1 8.481 0.03 . 1 . . . . . 306 ASN H . 50154 1 429 . 1 . 1 61 61 ASN HA H 1 4.836 0.00 . 1 . . . . . 306 ASN HA . 50154 1 430 . 1 . 1 61 61 ASN HB2 H 1 2.898 0.00 . 2 . . . . . 306 ASN QB . 50154 1 431 . 1 . 1 61 61 ASN HB3 H 1 2.898 0.00 . 2 . . . . . 306 ASN QB . 50154 1 432 . 1 . 1 61 61 ASN C C 13 175.234 0.00 . 1 . . . . . 306 ASN C . 50154 1 433 . 1 . 1 61 61 ASN CA C 13 53.378 0.10 . 1 . . . . . 306 ASN CA . 50154 1 434 . 1 . 1 61 61 ASN CB C 13 38.647 0.00 . 1 . . . . . 306 ASN CB . 50154 1 435 . 1 . 1 61 61 ASN N N 15 120.581 0.07 . 1 . . . . . 306 ASN N . 50154 1 436 . 1 . 1 62 62 MET H H 1 8.300 0.02 . 1 . . . . . 307 MET H . 50154 1 437 . 1 . 1 62 62 MET HA H 1 4.517 0.05 . 1 . . . . . 307 MET HA . 50154 1 438 . 1 . 1 62 62 MET HB2 H 1 2.057 0.00 . 2 . . . . . 307 MET QB . 50154 1 439 . 1 . 1 62 62 MET HB3 H 1 2.057 0.00 . 2 . . . . . 307 MET QB . 50154 1 440 . 1 . 1 62 62 MET C C 13 176.438 0.00 . 1 . . . . . 307 MET C . 50154 1 441 . 1 . 1 62 62 MET CA C 13 55.886 0.19 . 1 . . . . . 307 MET CA . 50154 1 442 . 1 . 1 62 62 MET CB C 13 32.585 0.16 . 1 . . . . . 307 MET CB . 50154 1 443 . 1 . 1 62 62 MET N N 15 120.314 0.03 . 1 . . . . . 307 MET N . 50154 1 444 . 1 . 1 63 63 GLY H H 1 8.362 0.02 . 1 . . . . . 308 GLY H . 50154 1 445 . 1 . 1 63 63 GLY HA2 H 1 4.046 0.00 . 2 . . . . . 308 GLY QA . 50154 1 446 . 1 . 1 63 63 GLY HA3 H 1 4.046 0.00 . 2 . . . . . 308 GLY QA . 50154 1 447 . 1 . 1 63 63 GLY C C 13 174.596 0.00 . 1 . . . . . 308 GLY C . 50154 1 448 . 1 . 1 63 63 GLY CA C 13 45.439 0.00 . 1 . . . . . 308 GLY CA . 50154 1 449 . 1 . 1 63 63 GLY N N 15 109.455 0.26 . 1 . . . . . 308 GLY N . 50154 1 450 . 1 . 1 64 64 GLY H H 1 8.219 0.02 . 1 . . . . . 309 GLY H . 50154 1 451 . 1 . 1 64 64 GLY C C 13 174.628 0.00 . 1 . . . . . 309 GLY C . 50154 1 452 . 1 . 1 64 64 GLY CA C 13 45.322 0.00 . 1 . . . . . 309 GLY CA . 50154 1 453 . 1 . 1 64 64 GLY N N 15 108.601 0.04 . 1 . . . . . 309 GLY N . 50154 1 454 . 1 . 1 65 65 GLY H H 1 8.262 0.03 . 1 . . . . . 310 GLY H . 50154 1 455 . 1 . 1 65 65 GLY HA2 H 1 4.036 0.00 . 2 . . . . . 310 GLY QA . 50154 1 456 . 1 . 1 65 65 GLY HA3 H 1 4.036 0.00 . 2 . . . . . 310 GLY QA . 50154 1 457 . 1 . 1 65 65 GLY C C 13 174.065 0.00 . 1 . . . . . 310 GLY C . 50154 1 458 . 1 . 1 65 65 GLY CA C 13 45.375 0.03 . 1 . . . . . 310 GLY CA . 50154 1 459 . 1 . 1 65 65 GLY N N 15 108.596 0.10 . 1 . . . . . 310 GLY N . 50154 1 460 . 1 . 1 66 66 MET H H 1 8.167 0.03 . 1 . . . . . 311 MET H . 50154 1 461 . 1 . 1 66 66 MET HA H 1 4.468 0.00 . 1 . . . . . 311 MET HA . 50154 1 462 . 1 . 1 66 66 MET HB2 H 1 1.971 0.00 . 2 . . . . . 311 MET QB . 50154 1 463 . 1 . 1 66 66 MET HB3 H 1 1.971 0.00 . 2 . . . . . 311 MET QB . 50154 1 464 . 1 . 1 66 66 MET C C 13 175.578 0.00 . 1 . . . . . 311 MET C . 50154 1 465 . 1 . 1 66 66 MET CA C 13 55.478 0.05 . 1 . . . . . 311 MET CA . 50154 1 466 . 1 . 1 66 66 MET CB C 13 32.774 0.08 . 1 . . . . . 311 MET CB . 50154 1 467 . 1 . 1 66 66 MET N N 15 119.426 0.10 . 1 . . . . . 311 MET N . 50154 1 468 . 1 . 1 67 67 ASN H H 1 8.313 0.02 . 1 . . . . . 312 ASN H . 50154 1 469 . 1 . 1 67 67 ASN HA H 1 4.544 0.00 . 1 . . . . . 312 ASN HA . 50154 1 470 . 1 . 1 67 67 ASN HB2 H 1 2.806 0.00 . 2 . . . . . 312 ASN QB . 50154 1 471 . 1 . 1 67 67 ASN HB3 H 1 2.806 0.00 . 2 . . . . . 312 ASN QB . 50154 1 472 . 1 . 1 67 67 ASN C C 13 174.772 0.00 . 1 . . . . . 312 ASN C . 50154 1 473 . 1 . 1 67 67 ASN CA C 13 53.080 0.10 . 1 . . . . . 312 ASN CA . 50154 1 474 . 1 . 1 67 67 ASN CB C 13 38.840 0.09 . 1 . . . . . 312 ASN CB . 50154 1 475 . 1 . 1 67 67 ASN N N 15 119.416 0.03 . 1 . . . . . 312 ASN N . 50154 1 476 . 1 . 1 68 68 PHE H H 1 8.190 0.02 . 1 . . . . . 313 PHE H . 50154 1 477 . 1 . 1 68 68 PHE C C 13 176.133 0.00 . 1 . . . . . 313 PHE C . 50154 1 478 . 1 . 1 68 68 PHE CA C 13 58.182 0.14 . 1 . . . . . 313 PHE CA . 50154 1 479 . 1 . 1 68 68 PHE CB C 13 39.485 0.09 . 1 . . . . . 313 PHE CB . 50154 1 480 . 1 . 1 68 68 PHE N N 15 120.861 0.06 . 1 . . . . . 313 PHE N . 50154 1 481 . 1 . 1 69 69 GLY H H 1 8.271 0.02 . 1 . . . . . 314 GLY H . 50154 1 482 . 1 . 1 69 69 GLY HA2 H 1 3.950 0.00 . 2 . . . . . 314 GLY QA . 50154 1 483 . 1 . 1 69 69 GLY HA3 H 1 3.950 0.00 . 2 . . . . . 314 GLY QA . 50154 1 484 . 1 . 1 69 69 GLY C C 13 173.813 0.00 . 1 . . . . . 314 GLY C . 50154 1 485 . 1 . 1 69 69 GLY CA C 13 45.468 0.06 . 1 . . . . . 314 GLY CA . 50154 1 486 . 1 . 1 69 69 GLY N N 15 109.971 0.07 . 1 . . . . . 314 GLY N . 50154 1 487 . 1 . 1 70 70 ALA H H 1 7.972 0.03 . 1 . . . . . 315 ALA H . 50154 1 488 . 1 . 1 70 70 ALA HA H 1 4.307 0.00 . 1 . . . . . 315 ALA HA . 50154 1 489 . 1 . 1 70 70 ALA HB1 H 1 1.320 0.00 . 2 . . . . . 315 ALA HB . 50154 1 490 . 1 . 1 70 70 ALA HB2 H 1 1.320 0.00 . 2 . . . . . 315 ALA HB . 50154 1 491 . 1 . 1 70 70 ALA HB3 H 1 1.320 0.00 . 2 . . . . . 315 ALA HB . 50154 1 492 . 1 . 1 70 70 ALA C C 13 177.313 0.00 . 1 . . . . . 315 ALA C . 50154 1 493 . 1 . 1 70 70 ALA CA C 13 52.695 0.07 . 1 . . . . . 315 ALA CA . 50154 1 494 . 1 . 1 70 70 ALA CB C 13 19.130 0.09 . 1 . . . . . 315 ALA CB . 50154 1 495 . 1 . 1 70 70 ALA N N 15 123.544 0.03 . 1 . . . . . 315 ALA N . 50154 1 496 . 1 . 1 71 71 PHE H H 1 8.028 0.03 . 1 . . . . . 316 PHE H . 50154 1 497 . 1 . 1 71 71 PHE HB2 H 1 3.090 0.00 . 2 . . . . . 316 PHE QB . 50154 1 498 . 1 . 1 71 71 PHE HB3 H 1 3.090 0.00 . 2 . . . . . 316 PHE QB . 50154 1 499 . 1 . 1 71 71 PHE C C 13 175.522 0.00 . 1 . . . . . 316 PHE C . 50154 1 500 . 1 . 1 71 71 PHE CA C 13 57.453 0.08 . 1 . . . . . 316 PHE CA . 50154 1 501 . 1 . 1 71 71 PHE CB C 13 39.669 0.15 . 1 . . . . . 316 PHE CB . 50154 1 502 . 1 . 1 71 71 PHE N N 15 118.211 0.04 . 1 . . . . . 316 PHE N . 50154 1 503 . 1 . 1 72 72 SER H H 1 8.023 0.02 . 1 . . . . . 317 SER H . 50154 1 504 . 1 . 1 72 72 SER HB2 H 1 3.865 0.00 . 2 . . . . . 317 SER QB . 50154 1 505 . 1 . 1 72 72 SER HB3 H 1 3.865 0.00 . 2 . . . . . 317 SER QB . 50154 1 506 . 1 . 1 72 72 SER C C 13 173.859 0.00 . 1 . . . . . 317 SER C . 50154 1 507 . 1 . 1 72 72 SER CA C 13 58.218 0.11 . 1 . . . . . 317 SER CA . 50154 1 508 . 1 . 1 72 72 SER CB C 13 64.446 0.34 . 1 . . . . . 317 SER CB . 50154 1 509 . 1 . 1 72 72 SER N N 15 116.736 0.06 . 1 . . . . . 317 SER N . 50154 1 510 . 1 . 1 73 73 ILE H H 1 7.999 0.02 . 1 . . . . . 318 ILE H . 50154 1 511 . 1 . 1 73 73 ILE C C 13 175.200 0.00 . 1 . . . . . 318 ILE C . 50154 1 512 . 1 . 1 73 73 ILE CA C 13 60.737 0.02 . 1 . . . . . 318 ILE CA . 50154 1 513 . 1 . 1 73 73 ILE N N 15 121.498 0.04 . 1 . . . . . 318 ILE N . 50154 1 514 . 1 . 1 74 74 ASN H H 1 8.254 0.03 . 1 . . . . . 319 ASN H . 50154 1 515 . 1 . 1 74 74 ASN CA C 13 51.110 0.00 . 1 . . . . . 319 ASN CA . 50154 1 516 . 1 . 1 74 74 ASN N N 15 123.345 0.08 . 1 . . . . . 319 ASN N . 50154 1 517 . 1 . 1 75 75 PRO C C 13 177.617 0.00 . 1 . . . . . 320 PRO C . 50154 1 518 . 1 . 1 75 75 PRO CA C 13 64.524 0.00 . 1 . . . . . 320 PRO CA . 50154 1 519 . 1 . 1 76 76 ALA H H 1 8.110 0.02 . 1 . . . . . 321 ALA H . 50154 1 520 . 1 . 1 76 76 ALA HA H 1 4.329 0.00 . 1 . . . . . 321 ALA HA . 50154 1 521 . 1 . 1 76 76 ALA HB1 H 1 1.494 0.00 . 2 . . . . . 321 ALA HB . 50154 1 522 . 1 . 1 76 76 ALA HB2 H 1 1.494 0.00 . 2 . . . . . 321 ALA HB . 50154 1 523 . 1 . 1 76 76 ALA HB3 H 1 1.494 0.00 . 2 . . . . . 321 ALA HB . 50154 1 524 . 1 . 1 76 76 ALA C C 13 179.010 0.00 . 1 . . . . . 321 ALA C . 50154 1 525 . 1 . 1 76 76 ALA CA C 13 53.674 0.09 . 1 . . . . . 321 ALA CA . 50154 1 526 . 1 . 1 76 76 ALA CB C 13 18.500 0.00 . 1 . . . . . 321 ALA CB . 50154 1 527 . 1 . 1 76 76 ALA N N 15 121.326 0.04 . 1 . . . . . 321 ALA N . 50154 1 528 . 1 . 1 77 77 MET H H 1 7.942 0.02 . 1 . . . . . 322 MET H . 50154 1 529 . 1 . 1 77 77 MET C C 13 177.192 0.00 . 1 . . . . . 322 MET C . 50154 1 530 . 1 . 1 77 77 MET CA C 13 56.261 0.06 . 1 . . . . . 322 MET CA . 50154 1 531 . 1 . 1 77 77 MET CB C 13 32.790 0.00 . 1 . . . . . 322 MET CB . 50154 1 532 . 1 . 1 77 77 MET N N 15 118.027 0.07 . 1 . . . . . 322 MET N . 50154 1 533 . 1 . 1 78 78 MET H H 1 7.963 0.02 . 1 . . . . . 323 MET H . 50154 1 534 . 1 . 1 78 78 MET HB2 H 1 2.017 0.00 . 2 . . . . . 323 MET QB . 50154 1 535 . 1 . 1 78 78 MET HB3 H 1 2.017 0.00 . 2 . . . . . 323 MET QB . 50154 1 536 . 1 . 1 78 78 MET C C 13 176.733 0.00 . 1 . . . . . 323 MET C . 50154 1 537 . 1 . 1 78 78 MET CA C 13 56.618 0.00 . 1 . . . . . 323 MET CA . 50154 1 538 . 1 . 1 78 78 MET CB C 13 32.736 0.00 . 1 . . . . . 323 MET CB . 50154 1 539 . 1 . 1 78 78 MET N N 15 120.355 0.03 . 1 . . . . . 323 MET N . 50154 1 540 . 1 . 1 79 79 ALA H H 1 8.155 0.02 . 1 . . . . . 324 ALA H . 50154 1 541 . 1 . 1 79 79 ALA HA H 1 4.278 0.00 . 1 . . . . . 324 ALA HA . 50154 1 542 . 1 . 1 79 79 ALA HB1 H 1 1.511 0.00 . 2 . . . . . 324 ALA HB . 50154 1 543 . 1 . 1 79 79 ALA HB2 H 1 1.511 0.00 . 2 . . . . . 324 ALA HB . 50154 1 544 . 1 . 1 79 79 ALA HB3 H 1 1.511 0.00 . 2 . . . . . 324 ALA HB . 50154 1 545 . 1 . 1 79 79 ALA C C 13 178.751 0.00 . 1 . . . . . 324 ALA C . 50154 1 546 . 1 . 1 79 79 ALA CA C 13 53.629 0.03 . 1 . . . . . 324 ALA CA . 50154 1 547 . 1 . 1 79 79 ALA CB C 13 18.583 0.00 . 1 . . . . . 324 ALA CB . 50154 1 548 . 1 . 1 79 79 ALA N N 15 123.716 0.16 . 1 . . . . . 324 ALA N . 50154 1 549 . 1 . 1 80 80 ALA H H 1 8.064 0.00 . 1 . . . . . 325 ALA H . 50154 1 550 . 1 . 1 80 80 ALA HA H 1 4.289 0.00 . 1 . . . . . 325 ALA HA . 50154 1 551 . 1 . 1 80 80 ALA HB1 H 1 1.512 0.00 . 2 . . . . . 325 ALA HB . 50154 1 552 . 1 . 1 80 80 ALA HB2 H 1 1.512 0.00 . 2 . . . . . 325 ALA HB . 50154 1 553 . 1 . 1 80 80 ALA HB3 H 1 1.512 0.00 . 2 . . . . . 325 ALA HB . 50154 1 554 . 1 . 1 80 80 ALA C C 13 178.722 0.00 . 1 . . . . . 325 ALA C . 50154 1 555 . 1 . 1 80 80 ALA CA C 13 53.561 0.05 . 1 . . . . . 325 ALA CA . 50154 1 556 . 1 . 1 80 80 ALA CB C 13 18.487 0.10 . 1 . . . . . 325 ALA CB . 50154 1 557 . 1 . 1 80 80 ALA N N 15 122.188 0.04 . 1 . . . . . 325 ALA N . 50154 1 558 . 1 . 1 81 81 ALA H H 1 8.053 0.02 . 1 . . . . . 326 ALA H . 50154 1 559 . 1 . 1 81 81 ALA HA H 1 4.309 0.00 . 1 . . . . . 326 ALA HA . 50154 1 560 . 1 . 1 81 81 ALA HB1 H 1 1.567 0.00 . 2 . . . . . 326 ALA HB . 50154 1 561 . 1 . 1 81 81 ALA HB2 H 1 1.567 0.00 . 2 . . . . . 326 ALA HB . 50154 1 562 . 1 . 1 81 81 ALA HB3 H 1 1.567 0.00 . 2 . . . . . 326 ALA HB . 50154 1 563 . 1 . 1 81 81 ALA C C 13 178.823 0.00 . 1 . . . . . 326 ALA C . 50154 1 564 . 1 . 1 81 81 ALA CA C 13 53.575 0.03 . 1 . . . . . 326 ALA CA . 50154 1 565 . 1 . 1 81 81 ALA CB C 13 18.779 0.05 . 1 . . . . . 326 ALA CB . 50154 1 566 . 1 . 1 81 81 ALA N N 15 122.102 0.07 . 1 . . . . . 326 ALA N . 50154 1 567 . 1 . 1 82 82 GLN H H 1 8.060 0.02 . 1 . . . . . 327 GLN H . 50154 1 568 . 1 . 1 82 82 GLN HA H 1 4.240 0.00 . 1 . . . . . 327 GLN HA . 50154 1 569 . 1 . 1 82 82 GLN HB2 H 1 2.162 0.00 . 2 . . . . . 327 GLN QB . 50154 1 570 . 1 . 1 82 82 GLN HB3 H 1 2.162 0.00 . 2 . . . . . 327 GLN QB . 50154 1 571 . 1 . 1 82 82 GLN C C 13 176.887 0.00 . 1 . . . . . 327 GLN C . 50154 1 572 . 1 . 1 82 82 GLN CA C 13 57.106 0.04 . 1 . . . . . 327 GLN CA . 50154 1 573 . 1 . 1 82 82 GLN CB C 13 28.906 0.00 . 1 . . . . . 327 GLN CB . 50154 1 574 . 1 . 1 82 82 GLN N N 15 118.172 0.05 . 1 . . . . . 327 GLN N . 50154 1 575 . 1 . 1 83 83 ALA H H 1 8.060 0.02 . 1 . . . . . 328 ALA H . 50154 1 576 . 1 . 1 83 83 ALA HA H 1 4.295 0.00 . 1 . . . . . 328 ALA HA . 50154 1 577 . 1 . 1 83 83 ALA HB1 H 1 1.503 0.00 . 2 . . . . . 328 ALA HB . 50154 1 578 . 1 . 1 83 83 ALA HB2 H 1 1.503 0.00 . 2 . . . . . 328 ALA HB . 50154 1 579 . 1 . 1 83 83 ALA HB3 H 1 1.503 0.00 . 2 . . . . . 328 ALA HB . 50154 1 580 . 1 . 1 83 83 ALA C C 13 178.373 0.00 . 1 . . . . . 328 ALA C . 50154 1 581 . 1 . 1 83 83 ALA CA C 13 53.608 0.03 . 1 . . . . . 328 ALA CA . 50154 1 582 . 1 . 1 83 83 ALA CB C 13 18.680 0.00 . 1 . . . . . 328 ALA CB . 50154 1 583 . 1 . 1 83 83 ALA N N 15 123.359 0.04 . 1 . . . . . 328 ALA N . 50154 1 584 . 1 . 1 84 84 ALA H H 1 7.941 0.00 . 1 . . . . . 329 ALA H . 50154 1 585 . 1 . 1 84 84 ALA HA H 1 4.322 0.00 . 1 . . . . . 329 ALA HA . 50154 1 586 . 1 . 1 84 84 ALA HB1 H 1 1.505 0.00 . 2 . . . . . 329 ALA HB . 50154 1 587 . 1 . 1 84 84 ALA HB2 H 1 1.505 0.00 . 2 . . . . . 329 ALA HB . 50154 1 588 . 1 . 1 84 84 ALA HB3 H 1 1.505 0.00 . 2 . . . . . 329 ALA HB . 50154 1 589 . 1 . 1 84 84 ALA C C 13 178.361 0.00 . 1 . . . . . 329 ALA C . 50154 1 590 . 1 . 1 84 84 ALA CA C 13 53.131 0.03 . 1 . . . . . 329 ALA CA . 50154 1 591 . 1 . 1 84 84 ALA CB C 13 18.738 0.00 . 1 . . . . . 329 ALA CB . 50154 1 592 . 1 . 1 84 84 ALA N N 15 121.333 0.02 . 1 . . . . . 329 ALA N . 50154 1 593 . 1 . 1 85 85 LEU H H 1 7.851 0.03 . 1 . . . . . 330 LEU H . 50154 1 594 . 1 . 1 85 85 LEU HA H 1 4.279 0.00 . 1 . . . . . 330 LEU HA . 50154 1 595 . 1 . 1 85 85 LEU C C 13 177.817 0.00 . 1 . . . . . 330 LEU C . 50154 1 596 . 1 . 1 85 85 LEU CA C 13 55.745 0.06 . 1 . . . . . 330 LEU CA . 50154 1 597 . 1 . 1 85 85 LEU CB C 13 42.271 0.00 . 1 . . . . . 330 LEU CB . 50154 1 598 . 1 . 1 85 85 LEU N N 15 119.940 0.07 . 1 . . . . . 330 LEU N . 50154 1 599 . 1 . 1 86 86 GLN H H 1 8.063 0.02 . 1 . . . . . 331 GLN H . 50154 1 600 . 1 . 1 86 86 GLN C C 13 176.430 0.00 . 1 . . . . . 331 GLN C . 50154 1 601 . 1 . 1 86 86 GLN CA C 13 56.628 0.00 . 1 . . . . . 331 GLN CA . 50154 1 602 . 1 . 1 86 86 GLN CB C 13 29.007 0.00 . 1 . . . . . 331 GLN CB . 50154 1 603 . 1 . 1 86 86 GLN N N 15 119.408 0.04 . 1 . . . . . 331 GLN N . 50154 1 604 . 1 . 1 87 87 SER H H 1 8.130 0.01 . 1 . . . . . 332 SER H . 50154 1 605 . 1 . 1 87 87 SER HB2 H 1 3.865 0.00 . 2 . . . . . 332 SER QB . 50154 1 606 . 1 . 1 87 87 SER HB3 H 1 3.865 0.00 . 2 . . . . . 332 SER QB . 50154 1 607 . 1 . 1 87 87 SER C C 13 174.832 0.00 . 1 . . . . . 332 SER C . 50154 1 608 . 1 . 1 87 87 SER CA C 13 58.957 0.00 . 1 . . . . . 332 SER CA . 50154 1 609 . 1 . 1 87 87 SER CB C 13 63.718 0.11 . 1 . . . . . 332 SER CB . 50154 1 610 . 1 . 1 87 87 SER N N 15 115.662 0.03 . 1 . . . . . 332 SER N . 50154 1 611 . 1 . 1 88 88 SER H H 1 8.128 0.02 . 1 . . . . . 333 SER H . 50154 1 612 . 1 . 1 88 88 SER HB2 H 1 3.922 0.00 . 2 . . . . . 333 SER QB . 50154 1 613 . 1 . 1 88 88 SER HB3 H 1 3.922 0.00 . 2 . . . . . 333 SER QB . 50154 1 614 . 1 . 1 88 88 SER C C 13 174.554 0.00 . 1 . . . . . 333 SER C . 50154 1 615 . 1 . 1 88 88 SER CA C 13 58.904 0.00 . 1 . . . . . 333 SER CA . 50154 1 616 . 1 . 1 88 88 SER CB C 13 63.239 0.00 . 1 . . . . . 333 SER CB . 50154 1 617 . 1 . 1 88 88 SER N N 15 117.207 0.03 . 1 . . . . . 333 SER N . 50154 1 618 . 1 . 1 89 89 TRP H H 1 8.027 0.02 . 1 . . . . . 334 TRP H . 50154 1 619 . 1 . 1 89 89 TRP C C 13 177.045 0.00 . 1 . . . . . 334 TRP C . 50154 1 620 . 1 . 1 89 89 TRP CA C 13 57.854 0.04 . 1 . . . . . 334 TRP CA . 50154 1 621 . 1 . 1 89 89 TRP CB C 13 29.426 0.00 . 1 . . . . . 334 TRP CB . 50154 1 622 . 1 . 1 89 89 TRP N N 15 122.450 0.04 . 1 . . . . . 334 TRP N . 50154 1 623 . 1 . 1 90 90 GLY H H 1 8.163 0.01 . 1 . . . . . 335 GLY H . 50154 1 624 . 1 . 1 90 90 GLY HA2 H 1 3.966 0.00 . 2 . . . . . 335 GLY QA . 50154 1 625 . 1 . 1 90 90 GLY HA3 H 1 3.966 0.00 . 2 . . . . . 335 GLY QA . 50154 1 626 . 1 . 1 90 90 GLY C C 13 174.335 0.00 . 1 . . . . . 335 GLY C . 50154 1 627 . 1 . 1 90 90 GLY CA C 13 45.779 0.09 . 1 . . . . . 335 GLY CA . 50154 1 628 . 1 . 1 90 90 GLY N N 15 109.443 0.02 . 1 . . . . . 335 GLY N . 50154 1 629 . 1 . 1 91 91 MET H H 1 8.033 0.03 . 1 . . . . . 336 MET H . 50154 1 630 . 1 . 1 91 91 MET C C 13 176.586 0.00 . 1 . . . . . 336 MET C . 50154 1 631 . 1 . 1 91 91 MET CA C 13 55.885 0.00 . 1 . . . . . 336 MET CA . 50154 1 632 . 1 . 1 91 91 MET CB C 13 32.494 0.00 . 1 . . . . . 336 MET CB . 50154 1 633 . 1 . 1 91 91 MET N N 15 119.593 0.03 . 1 . . . . . 336 MET N . 50154 1 634 . 1 . 1 92 92 MET H H 1 8.257 0.02 . 1 . . . . . 337 MET H . 50154 1 635 . 1 . 1 92 92 MET C C 13 176.816 0.00 . 1 . . . . . 337 MET C . 50154 1 636 . 1 . 1 92 92 MET CA C 13 56.138 0.05 . 1 . . . . . 337 MET CA . 50154 1 637 . 1 . 1 92 92 MET N N 15 119.933 0.13 . 1 . . . . . 337 MET N . 50154 1 638 . 1 . 1 93 93 GLY H H 1 8.262 0.01 . 1 . . . . . 338 GLY H . 50154 1 639 . 1 . 1 93 93 GLY HA2 H 1 3.977 0.00 . 2 . . . . . 338 GLY QA . 50154 1 640 . 1 . 1 93 93 GLY HA3 H 1 3.977 0.00 . 2 . . . . . 338 GLY QA . 50154 1 641 . 1 . 1 93 93 GLY C C 13 174.333 0.00 . 1 . . . . . 338 GLY C . 50154 1 642 . 1 . 1 93 93 GLY CA C 13 45.740 0.03 . 1 . . . . . 338 GLY CA . 50154 1 643 . 1 . 1 93 93 GLY N N 15 109.141 0.04 . 1 . . . . . 338 GLY N . 50154 1 644 . 1 . 1 94 94 MET H H 1 8.037 0.03 . 1 . . . . . 339 MET H . 50154 1 645 . 1 . 1 94 94 MET HA H 1 4.468 0.00 . 1 . . . . . 339 MET HA . 50154 1 646 . 1 . 1 94 94 MET C C 13 176.434 0.00 . 1 . . . . . 339 MET C . 50154 1 647 . 1 . 1 94 94 MET CA C 13 55.924 0.07 . 1 . . . . . 339 MET CA . 50154 1 648 . 1 . 1 94 94 MET N N 15 119.636 0.06 . 1 . . . . . 339 MET N . 50154 1 649 . 1 . 1 95 95 LEU H H 1 8.144 0.03 . 1 . . . . . 340 LEU H . 50154 1 650 . 1 . 1 95 95 LEU C C 13 177.424 0.00 . 1 . . . . . 340 LEU C . 50154 1 651 . 1 . 1 95 95 LEU CA C 13 55.870 0.14 . 1 . . . . . 340 LEU CA . 50154 1 652 . 1 . 1 95 95 LEU N N 15 122.307 0.12 . 1 . . . . . 340 LEU N . 50154 1 653 . 1 . 1 96 96 ALA H H 1 8.205 0.00 . 1 . . . . . 341 ALA H . 50154 1 654 . 1 . 1 96 96 ALA HA H 1 4.355 0.00 . 1 . . . . . 341 ALA HA . 50154 1 655 . 1 . 1 96 96 ALA HB1 H 1 1.471 0.00 . 2 . . . . . 341 ALA HB . 50154 1 656 . 1 . 1 96 96 ALA HB2 H 1 1.471 0.00 . 2 . . . . . 341 ALA HB . 50154 1 657 . 1 . 1 96 96 ALA HB3 H 1 1.471 0.00 . 2 . . . . . 341 ALA HB . 50154 1 658 . 1 . 1 96 96 ALA C C 13 178.004 0.00 . 1 . . . . . 341 ALA C . 50154 1 659 . 1 . 1 96 96 ALA CA C 13 52.981 0.06 . 1 . . . . . 341 ALA CA . 50154 1 660 . 1 . 1 96 96 ALA CB C 13 19.045 0.09 . 1 . . . . . 341 ALA CB . 50154 1 661 . 1 . 1 96 96 ALA N N 15 124.210 0.05 . 1 . . . . . 341 ALA N . 50154 1 662 . 1 . 1 97 97 SER H H 1 8.083 0.02 . 1 . . . . . 342 SER H . 50154 1 663 . 1 . 1 97 97 SER HA H 1 4.464 0.00 . 1 . . . . . 342 SER HA . 50154 1 664 . 1 . 1 97 97 SER HB2 H 1 3.974 0.00 . 2 . . . . . 342 SER QB . 50154 1 665 . 1 . 1 97 97 SER HB3 H 1 3.974 0.00 . 2 . . . . . 342 SER QB . 50154 1 666 . 1 . 1 97 97 SER C C 13 174.795 0.00 . 1 . . . . . 342 SER C . 50154 1 667 . 1 . 1 97 97 SER CA C 13 58.663 0.06 . 1 . . . . . 342 SER CA . 50154 1 668 . 1 . 1 97 97 SER CB C 13 63.784 0.03 . 1 . . . . . 342 SER CB . 50154 1 669 . 1 . 1 97 97 SER N N 15 113.855 0.04 . 1 . . . . . 342 SER N . 50154 1 670 . 1 . 1 98 98 GLN H H 1 8.192 0.03 . 1 . . . . . 343 GLN H . 50154 1 671 . 1 . 1 98 98 GLN HA H 1 4.408 0.00 . 1 . . . . . 343 GLN HA . 50154 1 672 . 1 . 1 98 98 GLN C C 13 176.018 0.00 . 1 . . . . . 343 GLN C . 50154 1 673 . 1 . 1 98 98 GLN CA C 13 56.087 0.05 . 1 . . . . . 343 GLN CA . 50154 1 674 . 1 . 1 98 98 GLN CB C 13 29.419 0.14 . 1 . . . . . 343 GLN CB . 50154 1 675 . 1 . 1 98 98 GLN N N 15 121.485 0.07 . 1 . . . . . 343 GLN N . 50154 1 676 . 1 . 1 99 99 GLN H H 1 8.227 0.03 . 1 . . . . . 344 GLN H . 50154 1 677 . 1 . 1 99 99 GLN HA H 1 4.368 0.00 . 1 . . . . . 344 GLN HA . 50154 1 678 . 1 . 1 99 99 GLN HB2 H 1 2.043 0.00 . 2 . . . . . 344 GLN QB . 50154 1 679 . 1 . 1 99 99 GLN HB3 H 1 2.043 0.00 . 2 . . . . . 344 GLN QB . 50154 1 680 . 1 . 1 99 99 GLN C C 13 175.728 0.00 . 1 . . . . . 344 GLN C . 50154 1 681 . 1 . 1 99 99 GLN CA C 13 56.096 0.08 . 1 . . . . . 344 GLN CA . 50154 1 682 . 1 . 1 99 99 GLN CB C 13 29.419 0.00 . 1 . . . . . 344 GLN CB . 50154 1 683 . 1 . 1 99 99 GLN N N 15 120.366 0.04 . 1 . . . . . 344 GLN N . 50154 1 684 . 1 . 1 100 100 ASN H H 1 8.399 0.00 . 1 . . . . . 345 ASN H . 50154 1 685 . 1 . 1 100 100 ASN HA H 1 4.740 0.00 . 1 . . . . . 345 ASN HA . 50154 1 686 . 1 . 1 100 100 ASN HB2 H 1 2.881 0.00 . 2 . . . . . 345 ASN QB . 50154 1 687 . 1 . 1 100 100 ASN HB3 H 1 2.881 0.00 . 2 . . . . . 345 ASN QB . 50154 1 688 . 1 . 1 100 100 ASN C C 13 175.195 0.00 . 1 . . . . . 345 ASN C . 50154 1 689 . 1 . 1 100 100 ASN CA C 13 53.450 0.06 . 1 . . . . . 345 ASN CA . 50154 1 690 . 1 . 1 100 100 ASN CB C 13 38.887 0.06 . 1 . . . . . 345 ASN CB . 50154 1 691 . 1 . 1 100 100 ASN N N 15 119.435 0.07 . 1 . . . . . 345 ASN N . 50154 1 692 . 1 . 1 101 101 GLN H H 1 8.342 0.02 . 1 . . . . . 346 GLN H . 50154 1 693 . 1 . 1 101 101 GLN HA H 1 4.465 0.00 . 1 . . . . . 346 GLN HA . 50154 1 694 . 1 . 1 101 101 GLN HB2 H 1 2.061 0.00 . 2 . . . . . 346 GLN QB . 50154 1 695 . 1 . 1 101 101 GLN HB3 H 1 2.061 0.00 . 2 . . . . . 346 GLN QB . 50154 1 696 . 1 . 1 101 101 GLN C C 13 175.843 0.00 . 1 . . . . . 346 GLN C . 50154 1 697 . 1 . 1 101 101 GLN CA C 13 55.986 0.05 . 1 . . . . . 346 GLN CA . 50154 1 698 . 1 . 1 101 101 GLN CB C 13 29.530 0.11 . 1 . . . . . 346 GLN CB . 50154 1 699 . 1 . 1 101 101 GLN CG C 13 34.033 0.00 . 1 . . . . . 346 GLN CG . 50154 1 700 . 1 . 1 101 101 GLN N N 15 120.691 0.09 . 1 . . . . . 346 GLN N . 50154 1 701 . 1 . 1 102 102 SER H H 1 8.326 0.02 . 1 . . . . . 347 SER H . 50154 1 702 . 1 . 1 102 102 SER HA H 1 4.600 0.00 . 1 . . . . . 347 SER HA . 50154 1 703 . 1 . 1 102 102 SER HB2 H 1 3.958 0.00 . 2 . . . . . 347 SER QB . 50154 1 704 . 1 . 1 102 102 SER HB3 H 1 3.958 0.00 . 2 . . . . . 347 SER QB . 50154 1 705 . 1 . 1 102 102 SER C C 13 174.431 0.00 . 1 . . . . . 347 SER C . 50154 1 706 . 1 . 1 102 102 SER CA C 13 58.445 0.09 . 1 . . . . . 347 SER CA . 50154 1 707 . 1 . 1 102 102 SER CB C 13 64.155 0.02 . 1 . . . . . 347 SER CB . 50154 1 708 . 1 . 1 102 102 SER N N 15 116.635 0.05 . 1 . . . . . 347 SER N . 50154 1 709 . 1 . 1 103 103 GLY H H 1 8.179 0.02 . 1 . . . . . 348 GLY H . 50154 1 710 . 1 . 1 103 103 GLY CA C 13 44.722 0.00 . 1 . . . . . 348 GLY CA . 50154 1 711 . 1 . 1 103 103 GLY N N 15 110.448 0.05 . 1 . . . . . 348 GLY N . 50154 1 712 . 1 . 1 104 104 PRO HA H 1 4.541 0.00 . 1 . . . . . 349 PRO HA . 50154 1 713 . 1 . 1 104 104 PRO HB2 H 1 2.061 0.00 . 2 . . . . . 349 PRO QB . 50154 1 714 . 1 . 1 104 104 PRO HB3 H 1 2.061 0.00 . 2 . . . . . 349 PRO QB . 50154 1 715 . 1 . 1 104 104 PRO C C 13 177.296 0.00 . 1 . . . . . 349 PRO C . 50154 1 716 . 1 . 1 104 104 PRO CA C 13 63.459 0.10 . 1 . . . . . 349 PRO CA . 50154 1 717 . 1 . 1 104 104 PRO CB C 13 32.352 0.00 . 1 . . . . . 349 PRO CB . 50154 1 718 . 1 . 1 104 104 PRO CG C 13 27.126 0.00 . 1 . . . . . 349 PRO CG . 50154 1 719 . 1 . 1 105 105 SER H H 1 8.420 0.03 . 1 . . . . . 350 SER H . 50154 1 720 . 1 . 1 105 105 SER HA H 1 4.550 0.00 . 1 . . . . . 350 SER HA . 50154 1 721 . 1 . 1 105 105 SER HB2 H 1 3.977 0.00 . 2 . . . . . 350 SER QB . 50154 1 722 . 1 . 1 105 105 SER HB3 H 1 3.977 0.00 . 2 . . . . . 350 SER QB . 50154 1 723 . 1 . 1 105 105 SER C C 13 175.042 0.00 . 1 . . . . . 350 SER C . 50154 1 724 . 1 . 1 105 105 SER CA C 13 58.542 0.09 . 1 . . . . . 350 SER CA . 50154 1 725 . 1 . 1 105 105 SER CB C 13 64.063 0.04 . 1 . . . . . 350 SER CB . 50154 1 726 . 1 . 1 105 105 SER N N 15 115.890 0.05 . 1 . . . . . 350 SER N . 50154 1 727 . 1 . 1 106 106 GLY H H 1 8.319 0.00 . 1 . . . . . 351 GLY H . 50154 1 728 . 1 . 1 106 106 GLY HA2 H 1 4.034 0.00 . 2 . . . . . 351 GLY QA . 50154 1 729 . 1 . 1 106 106 GLY HA3 H 1 4.034 0.00 . 2 . . . . . 351 GLY QA . 50154 1 730 . 1 . 1 106 106 GLY C C 13 173.870 0.00 . 1 . . . . . 351 GLY C . 50154 1 731 . 1 . 1 106 106 GLY CA C 13 45.640 0.00 . 1 . . . . . 351 GLY CA . 50154 1 732 . 1 . 1 106 106 GLY N N 15 110.361 0.03 . 1 . . . . . 351 GLY N . 50154 1 733 . 1 . 1 107 107 ASN H H 1 8.289 0.00 . 1 . . . . . 352 ASN H . 50154 1 734 . 1 . 1 107 107 ASN HA H 1 4.770 0.00 . 1 . . . . . 352 ASN HA . 50154 1 735 . 1 . 1 107 107 ASN HB2 H 1 2.844 0.00 . 2 . . . . . 352 ASN QB . 50154 1 736 . 1 . 1 107 107 ASN HB3 H 1 2.844 0.00 . 2 . . . . . 352 ASN QB . 50154 1 737 . 1 . 1 107 107 ASN C C 13 175.081 0.00 . 1 . . . . . 352 ASN C . 50154 1 738 . 1 . 1 107 107 ASN CA C 13 53.204 0.00 . 1 . . . . . 352 ASN CA . 50154 1 739 . 1 . 1 107 107 ASN CB C 13 38.991 0.00 . 1 . . . . . 352 ASN CB . 50154 1 740 . 1 . 1 107 107 ASN N N 15 118.549 0.02 . 1 . . . . . 352 ASN N . 50154 1 741 . 1 . 1 108 108 ASN H H 1 8.424 0.01 . 1 . . . . . 353 ASN H . 50154 1 742 . 1 . 1 108 108 ASN HA H 1 4.789 0.00 . 1 . . . . . 353 ASN HA . 50154 1 743 . 1 . 1 108 108 ASN HB2 H 1 2.871 0.00 . 2 . . . . . 353 ASN QB . 50154 1 744 . 1 . 1 108 108 ASN HB3 H 1 2.871 0.00 . 2 . . . . . 353 ASN QB . 50154 1 745 . 1 . 1 108 108 ASN C C 13 175.245 0.00 . 1 . . . . . 353 ASN C . 50154 1 746 . 1 . 1 108 108 ASN CA C 13 53.501 0.00 . 1 . . . . . 353 ASN CA . 50154 1 747 . 1 . 1 108 108 ASN CB C 13 38.889 0.00 . 1 . . . . . 353 ASN CB . 50154 1 748 . 1 . 1 108 108 ASN N N 15 119.139 0.09 . 1 . . . . . 353 ASN N . 50154 1 749 . 1 . 1 109 109 GLN H H 1 8.347 0.02 . 1 . . . . . 354 GLN H . 50154 1 750 . 1 . 1 109 109 GLN C C 13 175.771 0.00 . 1 . . . . . 354 GLN C . 50154 1 751 . 1 . 1 109 109 GLN CA C 13 56.190 0.05 . 1 . . . . . 354 GLN CA . 50154 1 752 . 1 . 1 109 109 GLN CB C 13 29.526 0.07 . 1 . . . . . 354 GLN CB . 50154 1 753 . 1 . 1 109 109 GLN CG C 13 34.052 0.00 . 1 . . . . . 354 GLN CG . 50154 1 754 . 1 . 1 109 109 GLN N N 15 120.122 0.07 . 1 . . . . . 354 GLN N . 50154 1 755 . 1 . 1 110 110 ASN H H 1 8.381 0.04 . 1 . . . . . 355 ASN H . 50154 1 756 . 1 . 1 110 110 ASN HB2 H 1 2.836 0.00 . 2 . . . . . 355 ASN QB . 50154 1 757 . 1 . 1 110 110 ASN HB3 H 1 2.836 0.00 . 2 . . . . . 355 ASN QB . 50154 1 758 . 1 . 1 110 110 ASN C C 13 175.218 0.00 . 1 . . . . . 355 ASN C . 50154 1 759 . 1 . 1 110 110 ASN CA C 13 53.422 0.07 . 1 . . . . . 355 ASN CA . 50154 1 760 . 1 . 1 110 110 ASN CB C 13 38.850 0.08 . 1 . . . . . 355 ASN CB . 50154 1 761 . 1 . 1 110 110 ASN N N 15 119.277 0.11 . 1 . . . . . 355 ASN N . 50154 1 762 . 1 . 1 111 111 GLN H H 1 8.321 0.03 . 1 . . . . . 356 GLN H . 50154 1 763 . 1 . 1 111 111 GLN HA H 1 4.413 0.00 . 1 . . . . . 356 GLN HA . 50154 1 764 . 1 . 1 111 111 GLN HB2 H 1 2.056 0.00 . 2 . . . . . 356 GLN QB . 50154 1 765 . 1 . 1 111 111 GLN HB3 H 1 2.056 0.00 . 2 . . . . . 356 GLN QB . 50154 1 766 . 1 . 1 111 111 GLN C C 13 176.405 0.00 . 1 . . . . . 356 GLN C . 50154 1 767 . 1 . 1 111 111 GLN CA C 13 56.231 0.02 . 1 . . . . . 356 GLN CA . 50154 1 768 . 1 . 1 111 111 GLN CB C 13 29.453 0.05 . 1 . . . . . 356 GLN CB . 50154 1 769 . 1 . 1 111 111 GLN CG C 13 34.204 0.00 . 1 . . . . . 356 GLN CG . 50154 1 770 . 1 . 1 111 111 GLN N N 15 120.287 0.17 . 1 . . . . . 356 GLN N . 50154 1 771 . 1 . 1 112 112 GLY H H 1 8.388 0.02 . 1 . . . . . 357 GLY H . 50154 1 772 . 1 . 1 112 112 GLY HA2 H 1 4.019 0.00 . 2 . . . . . 357 GLY QA . 50154 1 773 . 1 . 1 112 112 GLY HA3 H 1 4.019 0.00 . 2 . . . . . 357 GLY QA . 50154 1 774 . 1 . 1 112 112 GLY C C 13 173.880 0.00 . 1 . . . . . 357 GLY C . 50154 1 775 . 1 . 1 112 112 GLY CA C 13 45.422 0.00 . 1 . . . . . 357 GLY CA . 50154 1 776 . 1 . 1 112 112 GLY N N 15 109.247 0.06 . 1 . . . . . 357 GLY N . 50154 1 777 . 1 . 1 113 113 ASN H H 1 8.252 0.03 . 1 . . . . . 358 ASN H . 50154 1 778 . 1 . 1 113 113 ASN C C 13 175.338 0.00 . 1 . . . . . 358 ASN C . 50154 1 779 . 1 . 1 113 113 ASN CA C 13 53.273 0.08 . 1 . . . . . 358 ASN CA . 50154 1 780 . 1 . 1 113 113 ASN CB C 13 38.936 0.00 . 1 . . . . . 358 ASN CB . 50154 1 781 . 1 . 1 113 113 ASN N N 15 118.483 0.05 . 1 . . . . . 358 ASN N . 50154 1 782 . 1 . 1 114 114 MET H H 1 8.281 0.00 . 1 . . . . . 359 MET H . 50154 1 783 . 1 . 1 114 114 MET HA H 1 4.541 0.00 . 1 . . . . . 359 MET HA . 50154 1 784 . 1 . 1 114 114 MET HB2 H 1 2.105 0.00 . 2 . . . . . 359 MET QB . 50154 1 785 . 1 . 1 114 114 MET HB3 H 1 2.105 0.00 . 2 . . . . . 359 MET QB . 50154 1 786 . 1 . 1 114 114 MET C C 13 176.039 0.00 . 1 . . . . . 359 MET C . 50154 1 787 . 1 . 1 114 114 MET CA C 13 55.999 0.09 . 1 . . . . . 359 MET CA . 50154 1 788 . 1 . 1 114 114 MET CB C 13 32.676 0.15 . 1 . . . . . 359 MET CB . 50154 1 789 . 1 . 1 114 114 MET N N 15 120.389 0.02 . 1 . . . . . 359 MET N . 50154 1 790 . 1 . 1 115 115 GLN H H 1 8.314 0.00 . 1 . . . . . 360 GLN H . 50154 1 791 . 1 . 1 115 115 GLN HA H 1 4.381 0.00 . 1 . . . . . 360 GLN HA . 50154 1 792 . 1 . 1 115 115 GLN C C 13 175.651 0.00 . 1 . . . . . 360 GLN C . 50154 1 793 . 1 . 1 115 115 GLN CA C 13 56.001 0.00 . 1 . . . . . 360 GLN CA . 50154 1 794 . 1 . 1 115 115 GLN CB C 13 29.451 0.11 . 1 . . . . . 360 GLN CB . 50154 1 795 . 1 . 1 115 115 GLN CG C 13 33.939 0.00 . 1 . . . . . 360 GLN CG . 50154 1 796 . 1 . 1 115 115 GLN N N 15 121.126 0.07 . 1 . . . . . 360 GLN N . 50154 1 797 . 1 . 1 116 116 ARG H H 1 8.263 0.03 . 1 . . . . . 361 ARG H . 50154 1 798 . 1 . 1 116 116 ARG HA H 1 4.417 0.00 . 1 . . . . . 361 ARG HA . 50154 1 799 . 1 . 1 116 116 ARG HB2 H 1 1.804 0.00 . 2 . . . . . 361 ARG QB . 50154 1 800 . 1 . 1 116 116 ARG HB3 H 1 1.804 0.00 . 2 . . . . . 361 ARG QB . 50154 1 801 . 1 . 1 116 116 ARG C C 13 175.895 0.00 . 1 . . . . . 361 ARG C . 50154 1 802 . 1 . 1 116 116 ARG CA C 13 55.906 0.01 . 1 . . . . . 361 ARG CA . 50154 1 803 . 1 . 1 116 116 ARG CB C 13 31.240 0.00 . 1 . . . . . 361 ARG CB . 50154 1 804 . 1 . 1 116 116 ARG N N 15 122.179 0.04 . 1 . . . . . 361 ARG N . 50154 1 805 . 1 . 1 117 117 GLU H H 1 8.352 0.02 . 1 . . . . . 362 GLU H . 50154 1 806 . 1 . 1 117 117 GLU CA C 13 53.660 0.00 . 1 . . . . . 362 GLU CA . 50154 1 807 . 1 . 1 117 117 GLU N N 15 122.379 0.06 . 1 . . . . . 362 GLU N . 50154 1 808 . 1 . 1 118 118 PRO HA H 1 4.469 0.00 . 1 . . . . . 363 PRO HA . 50154 1 809 . 1 . 1 118 118 PRO C C 13 176.548 0.00 . 1 . . . . . 363 PRO C . 50154 1 810 . 1 . 1 118 118 PRO CA C 13 63.444 0.08 . 1 . . . . . 363 PRO CA . 50154 1 811 . 1 . 1 118 118 PRO CB C 13 32.263 0.26 . 1 . . . . . 363 PRO CB . 50154 1 812 . 1 . 1 118 118 PRO CG C 13 28.975 0.00 . 1 . . . . . 363 PRO CG . 50154 1 813 . 1 . 1 119 119 ASN H H 1 8.422 0.03 . 1 . . . . . 364 ASN H . 50154 1 814 . 1 . 1 119 119 ASN HB2 H 1 2.873 0.00 . 2 . . . . . 364 ASN QB . 50154 1 815 . 1 . 1 119 119 ASN HB3 H 1 2.873 0.00 . 2 . . . . . 364 ASN QB . 50154 1 816 . 1 . 1 119 119 ASN C C 13 175.169 0.00 . 1 . . . . . 364 ASN C . 50154 1 817 . 1 . 1 119 119 ASN CA C 13 53.497 0.05 . 1 . . . . . 364 ASN CA . 50154 1 818 . 1 . 1 119 119 ASN CB C 13 38.775 0.09 . 1 . . . . . 364 ASN CB . 50154 1 819 . 1 . 1 119 119 ASN N N 15 117.945 0.04 . 1 . . . . . 364 ASN N . 50154 1 820 . 1 . 1 120 120 GLN H H 1 8.207 0.02 . 1 . . . . . 365 GLN H . 50154 1 821 . 1 . 1 120 120 GLN HA H 1 4.356 0.00 . 1 . . . . . 365 GLN HA . 50154 1 822 . 1 . 1 120 120 GLN HB2 H 1 2.012 0.00 . 2 . . . . . 365 GLN QB . 50154 1 823 . 1 . 1 120 120 GLN HB3 H 1 2.012 0.00 . 2 . . . . . 365 GLN QB . 50154 1 824 . 1 . 1 120 120 GLN C C 13 175.361 0.00 . 1 . . . . . 365 GLN C . 50154 1 825 . 1 . 1 120 120 GLN CA C 13 55.852 0.03 . 1 . . . . . 365 GLN CA . 50154 1 826 . 1 . 1 120 120 GLN CB C 13 29.649 0.14 . 1 . . . . . 365 GLN CB . 50154 1 827 . 1 . 1 120 120 GLN N N 15 120.532 0.04 . 1 . . . . . 365 GLN N . 50154 1 828 . 1 . 1 121 121 ALA H H 1 8.199 0.02 . 1 . . . . . 366 ALA H . 50154 1 829 . 1 . 1 121 121 ALA HA H 1 4.321 0.00 . 1 . . . . . 366 ALA HA . 50154 1 830 . 1 . 1 121 121 ALA HB1 H 1 1.360 0.00 . 2 . . . . . 366 ALA HB . 50154 1 831 . 1 . 1 121 121 ALA HB2 H 1 1.360 0.00 . 2 . . . . . 366 ALA HB . 50154 1 832 . 1 . 1 121 121 ALA HB3 H 1 1.360 0.00 . 2 . . . . . 366 ALA HB . 50154 1 833 . 1 . 1 121 121 ALA C C 13 177.281 0.00 . 1 . . . . . 366 ALA C . 50154 1 834 . 1 . 1 121 121 ALA CA C 13 52.532 0.06 . 1 . . . . . 366 ALA CA . 50154 1 835 . 1 . 1 121 121 ALA CB C 13 19.151 0.11 . 1 . . . . . 366 ALA CB . 50154 1 836 . 1 . 1 121 121 ALA N N 15 124.759 0.04 . 1 . . . . . 366 ALA N . 50154 1 837 . 1 . 1 122 122 PHE H H 1 8.126 0.02 . 1 . . . . . 367 PHE H . 50154 1 838 . 1 . 1 122 122 PHE HB2 H 1 3.100 0.00 . 2 . . . . . 367 PHE QB . 50154 1 839 . 1 . 1 122 122 PHE HB3 H 1 3.100 0.00 . 2 . . . . . 367 PHE QB . 50154 1 840 . 1 . 1 122 122 PHE C C 13 176.277 0.00 . 1 . . . . . 367 PHE C . 50154 1 841 . 1 . 1 122 122 PHE CA C 13 57.784 0.00 . 1 . . . . . 367 PHE CA . 50154 1 842 . 1 . 1 122 122 PHE CB C 13 39.769 0.00 . 1 . . . . . 367 PHE CB . 50154 1 843 . 1 . 1 122 122 PHE N N 15 119.359 0.04 . 1 . . . . . 367 PHE N . 50154 1 844 . 1 . 1 123 123 GLY H H 1 8.259 0.00 . 1 . . . . . 368 GLY H . 50154 1 845 . 1 . 1 123 123 GLY HA2 H 1 3.972 0.00 . 2 . . . . . 368 GLY QA . 50154 1 846 . 1 . 1 123 123 GLY HA3 H 1 3.972 0.00 . 2 . . . . . 368 GLY QA . 50154 1 847 . 1 . 1 123 123 GLY C C 13 174.075 0.00 . 1 . . . . . 368 GLY C . 50154 1 848 . 1 . 1 123 123 GLY CA C 13 45.507 0.00 . 1 . . . . . 368 GLY CA . 50154 1 849 . 1 . 1 123 123 GLY N N 15 110.673 0.04 . 1 . . . . . 368 GLY N . 50154 1 850 . 1 . 1 124 124 SER H H 1 8.209 0.00 . 1 . . . . . 369 SER H . 50154 1 851 . 1 . 1 124 124 SER HA H 1 4.529 0.00 . 1 . . . . . 369 SER HA . 50154 1 852 . 1 . 1 124 124 SER HB2 H 1 3.972 0.00 . 2 . . . . . 369 SER QB . 50154 1 853 . 1 . 1 124 124 SER HB3 H 1 3.972 0.00 . 2 . . . . . 369 SER QB . 50154 1 854 . 1 . 1 124 124 SER C C 13 175.133 0.00 . 1 . . . . . 369 SER C . 50154 1 855 . 1 . 1 124 124 SER CA C 13 58.533 0.17 . 1 . . . . . 369 SER CA . 50154 1 856 . 1 . 1 124 124 SER CB C 13 64.142 0.03 . 1 . . . . . 369 SER CB . 50154 1 857 . 1 . 1 124 124 SER N N 15 115.517 0.03 . 1 . . . . . 369 SER N . 50154 1 858 . 1 . 1 125 125 GLY H H 1 8.444 0.02 . 1 . . . . . 370 GLY H . 50154 1 859 . 1 . 1 125 125 GLY HA2 H 1 4.019 0.00 . 2 . . . . . 370 GLY QA . 50154 1 860 . 1 . 1 125 125 GLY HA3 H 1 4.019 0.00 . 2 . . . . . 370 GLY QA . 50154 1 861 . 1 . 1 125 125 GLY C C 13 173.866 0.00 . 1 . . . . . 370 GLY C . 50154 1 862 . 1 . 1 125 125 GLY CA C 13 45.419 0.00 . 1 . . . . . 370 GLY CA . 50154 1 863 . 1 . 1 125 125 GLY N N 15 110.671 0.06 . 1 . . . . . 370 GLY N . 50154 1 864 . 1 . 1 126 126 ASN H H 1 8.275 0.00 . 1 . . . . . 371 ASN H . 50154 1 865 . 1 . 1 126 126 ASN HA H 1 4.770 0.00 . 1 . . . . . 371 ASN HA . 50154 1 866 . 1 . 1 126 126 ASN HB2 H 1 2.867 0.00 . 2 . . . . . 371 ASN QB . 50154 1 867 . 1 . 1 126 126 ASN HB3 H 1 2.867 0.00 . 2 . . . . . 371 ASN QB . 50154 1 868 . 1 . 1 126 126 ASN CA C 13 53.227 0.00 . 1 . . . . . 371 ASN CA . 50154 1 869 . 1 . 1 126 126 ASN CB C 13 38.975 0.00 . 1 . . . . . 371 ASN CB . 50154 1 870 . 1 . 1 126 126 ASN N N 15 118.615 0.06 . 1 . . . . . 371 ASN N . 50154 1 871 . 1 . 1 127 127 ASN H H 1 8.429 0.01 . 1 . . . . . 372 ASN H . 50154 1 872 . 1 . 1 127 127 ASN HB2 H 1 2.834 0.00 . 2 . . . . . 372 ASN QB . 50154 1 873 . 1 . 1 127 127 ASN HB3 H 1 2.834 0.00 . 2 . . . . . 372 ASN QB . 50154 1 874 . 1 . 1 127 127 ASN C C 13 175.079 0.00 . 1 . . . . . 372 ASN C . 50154 1 875 . 1 . 1 127 127 ASN CA C 13 53.318 0.02 . 1 . . . . . 372 ASN CA . 50154 1 876 . 1 . 1 127 127 ASN CB C 13 38.933 0.08 . 1 . . . . . 372 ASN CB . 50154 1 877 . 1 . 1 127 127 ASN N N 15 119.226 0.13 . 1 . . . . . 372 ASN N . 50154 1 878 . 1 . 1 128 128 SER H H 1 8.178 0.02 . 1 . . . . . 373 SER H . 50154 1 879 . 1 . 1 128 128 SER HB2 H 1 3.851 0.00 . 2 . . . . . 373 SER QB . 50154 1 880 . 1 . 1 128 128 SER HB3 H 1 3.851 0.00 . 2 . . . . . 373 SER QB . 50154 1 881 . 1 . 1 128 128 SER C C 13 174.111 0.00 . 1 . . . . . 373 SER C . 50154 1 882 . 1 . 1 128 128 SER CA C 13 58.592 0.08 . 1 . . . . . 373 SER CA . 50154 1 883 . 1 . 1 128 128 SER CB C 13 63.883 0.01 . 1 . . . . . 373 SER CB . 50154 1 884 . 1 . 1 128 128 SER N N 15 115.734 0.05 . 1 . . . . . 373 SER N . 50154 1 885 . 1 . 1 129 129 TYR H H 1 8.183 0.00 . 1 . . . . . 374 TYR H . 50154 1 886 . 1 . 1 129 129 TYR HA H 1 4.666 0.00 . 1 . . . . . 374 TYR HA . 50154 1 887 . 1 . 1 129 129 TYR HB2 H 1 3.089 0.00 . 2 . . . . . 374 TYR QB . 50154 1 888 . 1 . 1 129 129 TYR HB3 H 1 3.089 0.00 . 2 . . . . . 374 TYR QB . 50154 1 889 . 1 . 1 129 129 TYR C C 13 175.831 0.00 . 1 . . . . . 374 TYR C . 50154 1 890 . 1 . 1 129 129 TYR CA C 13 58.100 0.04 . 1 . . . . . 374 TYR CA . 50154 1 891 . 1 . 1 129 129 TYR CB C 13 38.781 0.05 . 1 . . . . . 374 TYR CB . 50154 1 892 . 1 . 1 129 129 TYR N N 15 122.005 0.04 . 1 . . . . . 374 TYR N . 50154 1 893 . 1 . 1 130 130 SER H H 1 8.194 0.02 . 1 . . . . . 375 SER H . 50154 1 894 . 1 . 1 130 130 SER HA H 1 4.492 0.00 . 1 . . . . . 375 SER HA . 50154 1 895 . 1 . 1 130 130 SER HB2 H 1 3.900 0.00 . 2 . . . . . 375 SER QB . 50154 1 896 . 1 . 1 130 130 SER HB3 H 1 3.900 0.00 . 2 . . . . . 375 SER QB . 50154 1 897 . 1 . 1 130 130 SER C C 13 174.712 0.00 . 1 . . . . . 375 SER C . 50154 1 898 . 1 . 1 130 130 SER CA C 13 58.367 0.01 . 1 . . . . . 375 SER CA . 50154 1 899 . 1 . 1 130 130 SER CB C 13 64.050 0.02 . 1 . . . . . 375 SER CB . 50154 1 900 . 1 . 1 130 130 SER N N 15 117.841 0.04 . 1 . . . . . 375 SER N . 50154 1 901 . 1 . 1 131 131 GLY H H 1 7.850 0.02 . 1 . . . . . 376 GLY H . 50154 1 902 . 1 . 1 131 131 GLY HA2 H 1 4.044 0.00 . 2 . . . . . 376 GLY QA . 50154 1 903 . 1 . 1 131 131 GLY HA3 H 1 4.044 0.00 . 2 . . . . . 376 GLY QA . 50154 1 904 . 1 . 1 131 131 GLY C C 13 174.150 0.00 . 1 . . . . . 376 GLY C . 50154 1 905 . 1 . 1 131 131 GLY CA C 13 45.404 0.02 . 1 . . . . . 376 GLY CA . 50154 1 906 . 1 . 1 131 131 GLY N N 15 110.368 0.04 . 1 . . . . . 376 GLY N . 50154 1 907 . 1 . 1 132 132 SER H H 1 8.179 0.00 . 1 . . . . . 377 SER H . 50154 1 908 . 1 . 1 132 132 SER HA H 1 4.521 0.00 . 1 . . . . . 377 SER HA . 50154 1 909 . 1 . 1 132 132 SER HB2 H 1 3.932 0.00 . 2 . . . . . 377 SER QB . 50154 1 910 . 1 . 1 132 132 SER HB3 H 1 3.932 0.00 . 2 . . . . . 377 SER QB . 50154 1 911 . 1 . 1 132 132 SER C C 13 174.442 0.00 . 1 . . . . . 377 SER C . 50154 1 912 . 1 . 1 132 132 SER CA C 13 58.453 0.01 . 1 . . . . . 377 SER CA . 50154 1 913 . 1 . 1 132 132 SER CB C 13 64.072 0.06 . 1 . . . . . 377 SER CB . 50154 1 914 . 1 . 1 132 132 SER N N 15 115.376 0.01 . 1 . . . . . 377 SER N . 50154 1 915 . 1 . 1 133 133 ASN H H 1 8.490 0.00 . 1 . . . . . 378 ASN H . 50154 1 916 . 1 . 1 133 133 ASN HB2 H 1 2.853 0.00 . 2 . . . . . 378 ASN QB . 50154 1 917 . 1 . 1 133 133 ASN HB3 H 1 2.853 0.00 . 2 . . . . . 378 ASN QB . 50154 1 918 . 1 . 1 133 133 ASN C C 13 175.273 0.00 . 1 . . . . . 378 ASN C . 50154 1 919 . 1 . 1 133 133 ASN CA C 13 53.282 0.03 . 1 . . . . . 378 ASN CA . 50154 1 920 . 1 . 1 133 133 ASN CB C 13 38.931 0.06 . 1 . . . . . 378 ASN CB . 50154 1 921 . 1 . 1 133 133 ASN N N 15 120.697 0.09 . 1 . . . . . 378 ASN N . 50154 1 922 . 1 . 1 134 134 SER H H 1 8.258 0.00 . 1 . . . . . 379 SER H . 50154 1 923 . 1 . 1 134 134 SER HA H 1 4.487 0.00 . 1 . . . . . 379 SER HA . 50154 1 924 . 1 . 1 134 134 SER HB2 H 1 3.945 0.00 . 2 . . . . . 379 SER QB . 50154 1 925 . 1 . 1 134 134 SER HB3 H 1 3.945 0.00 . 2 . . . . . 379 SER QB . 50154 1 926 . 1 . 1 134 134 SER C C 13 174.956 0.00 . 1 . . . . . 379 SER C . 50154 1 927 . 1 . 1 134 134 SER CA C 13 58.394 0.00 . 1 . . . . . 379 SER CA . 50154 1 928 . 1 . 1 134 134 SER CB C 13 64.050 0.00 . 1 . . . . . 379 SER CB . 50154 1 929 . 1 . 1 134 134 SER N N 15 116.033 0.03 . 1 . . . . . 379 SER N . 50154 1 930 . 1 . 1 135 135 GLY H H 1 8.362 0.00 . 1 . . . . . 380 GLY H . 50154 1 931 . 1 . 1 135 135 GLY HA2 H 1 3.990 0.00 . 2 . . . . . 380 GLY QA . 50154 1 932 . 1 . 1 135 135 GLY HA3 H 1 3.990 0.00 . 2 . . . . . 380 GLY QA . 50154 1 933 . 1 . 1 135 135 GLY C C 13 173.774 0.00 . 1 . . . . . 380 GLY C . 50154 1 934 . 1 . 1 135 135 GLY CA C 13 45.423 0.02 . 1 . . . . . 380 GLY CA . 50154 1 935 . 1 . 1 135 135 GLY N N 15 110.753 0.03 . 1 . . . . . 380 GLY N . 50154 1 936 . 1 . 1 136 136 ALA H H 1 7.954 0.03 . 1 . . . . . 381 ALA H . 50154 1 937 . 1 . 1 136 136 ALA HA H 1 4.317 0.00 . 1 . . . . . 381 ALA HA . 50154 1 938 . 1 . 1 136 136 ALA HB1 H 1 1.415 0.00 . 2 . . . . . 381 ALA HB . 50154 1 939 . 1 . 1 136 136 ALA HB2 H 1 1.415 0.00 . 2 . . . . . 381 ALA HB . 50154 1 940 . 1 . 1 136 136 ALA HB3 H 1 1.415 0.00 . 1 . . . . . 381 ALA HB . 50154 1 941 . 1 . 1 136 136 ALA C C 13 177.303 0.00 . 1 . . . . . 381 ALA C . 50154 1 942 . 1 . 1 136 136 ALA CA C 13 52.401 0.04 . 1 . . . . . 381 ALA CA . 50154 1 943 . 1 . 1 136 136 ALA CB C 13 19.486 0.00 . 1 . . . . . 381 ALA CB . 50154 1 944 . 1 . 1 136 136 ALA N N 15 123.555 0.14 . 1 . . . . . 381 ALA N . 50154 1 945 . 1 . 1 137 137 ALA H H 1 8.123 0.02 . 1 . . . . . 382 ALA H . 50154 1 946 . 1 . 1 137 137 ALA HA H 1 4.324 0.00 . 1 . . . . . 382 ALA HA . 50154 1 947 . 1 . 1 137 137 ALA HB1 H 1 1.394 0.00 . 2 . . . . . 382 ALA HB . 50154 1 948 . 1 . 1 137 137 ALA HB2 H 1 1.394 0.00 . 2 . . . . . 382 ALA HB . 50154 1 949 . 1 . 1 137 137 ALA HB3 H 1 1.394 0.00 . 2 . . . . . 382 ALA HB . 50154 1 950 . 1 . 1 137 137 ALA C C 13 177.541 0.00 . 1 . . . . . 382 ALA C . 50154 1 951 . 1 . 1 137 137 ALA CA C 13 52.409 0.07 . 1 . . . . . 382 ALA CA . 50154 1 952 . 1 . 1 137 137 ALA CB C 13 19.091 0.11 . 1 . . . . . 382 ALA CB . 50154 1 953 . 1 . 1 137 137 ALA N N 15 123.063 0.03 . 1 . . . . . 382 ALA N . 50154 1 954 . 1 . 1 138 138 ILE H H 1 7.936 0.02 . 1 . . . . . 383 ILE H . 50154 1 955 . 1 . 1 138 138 ILE HA H 1 4.179 0.00 . 1 . . . . . 383 ILE HA . 50154 1 956 . 1 . 1 138 138 ILE C C 13 176.623 0.00 . 1 . . . . . 383 ILE C . 50154 1 957 . 1 . 1 138 138 ILE CA C 13 61.224 0.11 . 1 . . . . . 383 ILE CA . 50154 1 958 . 1 . 1 138 138 ILE CB C 13 38.931 0.00 . 1 . . . . . 383 ILE CB . 50154 1 959 . 1 . 1 138 138 ILE CG1 C 13 27.429 0.00 . 1 . . . . . 383 ILE CG1 . 50154 1 960 . 1 . 1 138 138 ILE N N 15 119.504 0.04 . 1 . . . . . 383 ILE N . 50154 1 961 . 1 . 1 139 139 GLY H H 1 8.243 0.03 . 1 . . . . . 384 GLY H . 50154 1 962 . 1 . 1 139 139 GLY HA2 H 1 3.976 0.00 . 2 . . . . . 384 GLY QA . 50154 1 963 . 1 . 1 139 139 GLY HA3 H 1 3.976 0.00 . 2 . . . . . 384 GLY QA . 50154 1 964 . 1 . 1 139 139 GLY C C 13 173.838 0.00 . 1 . . . . . 384 GLY C . 50154 1 965 . 1 . 1 139 139 GLY CA C 13 45.305 0.05 . 1 . . . . . 384 GLY CA . 50154 1 966 . 1 . 1 139 139 GLY N N 15 112.240 0.05 . 1 . . . . . 384 GLY N . 50154 1 967 . 1 . 1 140 140 TRP H H 1 8.007 0.03 . 1 . . . . . 385 TRP H . 50154 1 968 . 1 . 1 140 140 TRP HA H 1 4.725 0.00 . 1 . . . . . 385 TRP HA . 50154 1 969 . 1 . 1 140 140 TRP HB2 H 1 3.262 0.00 . 2 . . . . . 385 TRP QB . 50154 1 970 . 1 . 1 140 140 TRP HB3 H 1 3.262 0.00 . 2 . . . . . 385 TRP QB . 50154 1 971 . 1 . 1 140 140 TRP C C 13 176.714 0.00 . 1 . . . . . 385 TRP C . 50154 1 972 . 1 . 1 140 140 TRP CA C 13 57.442 0.00 . 1 . . . . . 385 TRP CA . 50154 1 973 . 1 . 1 140 140 TRP CB C 13 29.910 0.00 . 1 . . . . . 385 TRP CB . 50154 1 974 . 1 . 1 140 140 TRP N N 15 121.176 0.07 . 1 . . . . . 385 TRP N . 50154 1 975 . 1 . 1 141 141 GLY H H 1 8.261 0.00 . 1 . . . . . 386 GLY H . 50154 1 976 . 1 . 1 141 141 GLY HA2 H 1 3.924 0.00 . 2 . . . . . 386 GLY QA . 50154 1 977 . 1 . 1 141 141 GLY HA3 H 1 3.924 0.00 . 2 . . . . . 386 GLY QA . 50154 1 978 . 1 . 1 141 141 GLY C C 13 174.039 0.00 . 1 . . . . . 386 GLY C . 50154 1 979 . 1 . 1 141 141 GLY CA C 13 45.466 0.08 . 1 . . . . . 386 GLY CA . 50154 1 980 . 1 . 1 141 141 GLY N N 15 110.585 0.03 . 1 . . . . . 386 GLY N . 50154 1 981 . 1 . 1 142 142 SER H H 1 8.072 0.03 . 1 . . . . . 387 SER H . 50154 1 982 . 1 . 1 142 142 SER HA H 1 4.496 0.00 . 1 . . . . . 387 SER HA . 50154 1 983 . 1 . 1 142 142 SER HB2 H 1 3.932 0.00 . 2 . . . . . 387 SER QB . 50154 1 984 . 1 . 1 142 142 SER HB3 H 1 3.932 0.00 . 2 . . . . . 387 SER QB . 50154 1 985 . 1 . 1 142 142 SER C C 13 174.401 0.00 . 1 . . . . . 387 SER C . 50154 1 986 . 1 . 1 142 142 SER CA C 13 58.346 0.07 . 1 . . . . . 387 SER CA . 50154 1 987 . 1 . 1 142 142 SER CB C 13 64.095 0.01 . 1 . . . . . 387 SER CB . 50154 1 988 . 1 . 1 142 142 SER N N 15 115.603 0.04 . 1 . . . . . 387 SER N . 50154 1 989 . 1 . 1 143 143 ALA H H 1 8.339 0.02 . 1 . . . . . 388 ALA H . 50154 1 990 . 1 . 1 143 143 ALA HA H 1 4.425 0.00 . 1 . . . . . 388 ALA HA . 50154 1 991 . 1 . 1 143 143 ALA HB1 H 1 1.483 0.00 . 2 . . . . . 388 ALA HB . 50154 1 992 . 1 . 1 143 143 ALA HB2 H 1 1.483 0.00 . 2 . . . . . 388 ALA HB . 50154 1 993 . 1 . 1 143 143 ALA HB3 H 1 1.483 0.00 . 2 . . . . . 388 ALA HB . 50154 1 994 . 1 . 1 143 143 ALA C C 13 177.779 0.00 . 1 . . . . . 388 ALA C . 50154 1 995 . 1 . 1 143 143 ALA CA C 13 52.745 0.07 . 1 . . . . . 388 ALA CA . 50154 1 996 . 1 . 1 143 143 ALA CB C 13 19.181 0.12 . 1 . . . . . 388 ALA CB . 50154 1 997 . 1 . 1 143 143 ALA N N 15 125.702 0.03 . 1 . . . . . 388 ALA N . 50154 1 998 . 1 . 1 144 144 SER H H 1 8.178 0.02 . 1 . . . . . 389 SER H . 50154 1 999 . 1 . 1 144 144 SER HA H 1 4.462 0.00 . 1 . . . . . 389 SER HA . 50154 1 1000 . 1 . 1 144 144 SER HB2 H 1 3.911 0.00 . 2 . . . . . 389 SER QB . 50154 1 1001 . 1 . 1 144 144 SER HB3 H 1 3.911 0.00 . 2 . . . . . 389 SER QB . 50154 1 1002 . 1 . 1 144 144 SER C C 13 174.351 0.00 . 1 . . . . . 389 SER C . 50154 1 1003 . 1 . 1 144 144 SER CA C 13 58.476 0.08 . 1 . . . . . 389 SER CA . 50154 1 1004 . 1 . 1 144 144 SER CB C 13 63.931 0.03 . 1 . . . . . 389 SER CB . 50154 1 1005 . 1 . 1 144 144 SER N N 15 114.445 0.03 . 1 . . . . . 389 SER N . 50154 1 1006 . 1 . 1 145 145 ASN H H 1 8.291 0.02 . 1 . . . . . 390 ASN H . 50154 1 1007 . 1 . 1 145 145 ASN HB2 H 1 2.852 0.00 . 2 . . . . . 390 ASN QB . 50154 1 1008 . 1 . 1 145 145 ASN HB3 H 1 2.852 0.00 . 2 . . . . . 390 ASN QB . 50154 1 1009 . 1 . 1 145 145 ASN C C 13 174.892 0.00 . 1 . . . . . 390 ASN C . 50154 1 1010 . 1 . 1 145 145 ASN CA C 13 53.179 0.01 . 1 . . . . . 390 ASN CA . 50154 1 1011 . 1 . 1 145 145 ASN CB C 13 38.936 0.09 . 1 . . . . . 390 ASN CB . 50154 1 1012 . 1 . 1 145 145 ASN N N 15 120.541 0.06 . 1 . . . . . 390 ASN N . 50154 1 1013 . 1 . 1 146 146 ALA H H 1 8.176 0.02 . 1 . . . . . 391 ALA H . 50154 1 1014 . 1 . 1 146 146 ALA HA H 1 4.351 0.00 . 1 . . . . . 391 ALA HA . 50154 1 1015 . 1 . 1 146 146 ALA HB1 H 1 1.449 0.00 . 2 . . . . . 391 ALA HB . 50154 1 1016 . 1 . 1 146 146 ALA HB2 H 1 1.449 0.00 . 2 . . . . . 391 ALA HB . 50154 1 1017 . 1 . 1 146 146 ALA HB3 H 1 1.449 0.00 . 2 . . . . . 391 ALA HB . 50154 1 1018 . 1 . 1 146 146 ALA C C 13 178.053 0.00 . 1 . . . . . 391 ALA C . 50154 1 1019 . 1 . 1 146 146 ALA CA C 13 52.933 0.04 . 1 . . . . . 391 ALA CA . 50154 1 1020 . 1 . 1 146 146 ALA CB C 13 19.184 0.13 . 1 . . . . . 391 ALA CB . 50154 1 1021 . 1 . 1 146 146 ALA N N 15 124.029 0.03 . 1 . . . . . 391 ALA N . 50154 1 1022 . 1 . 1 147 147 GLY H H 1 8.275 0.02 . 1 . . . . . 392 GLY H . 50154 1 1023 . 1 . 1 147 147 GLY HA2 H 1 4.043 0.00 . 2 . . . . . 392 GLY QA . 50154 1 1024 . 1 . 1 147 147 GLY HA3 H 1 4.043 0.00 . 2 . . . . . 392 GLY QA . 50154 1 1025 . 1 . 1 147 147 GLY C C 13 174.063 0.00 . 1 . . . . . 392 GLY C . 50154 1 1026 . 1 . 1 147 147 GLY CA C 13 45.373 0.04 . 1 . . . . . 392 GLY CA . 50154 1 1027 . 1 . 1 147 147 GLY N N 15 107.854 0.03 . 1 . . . . . 392 GLY N . 50154 1 1028 . 1 . 1 148 148 SER H H 1 8.156 0.03 . 1 . . . . . 393 SER H . 50154 1 1029 . 1 . 1 148 148 SER HA H 1 4.539 0.00 . 1 . . . . . 393 SER HA . 50154 1 1030 . 1 . 1 148 148 SER HB2 H 1 3.964 0.00 . 2 . . . . . 393 SER QB . 50154 1 1031 . 1 . 1 148 148 SER HB3 H 1 3.964 0.00 . 2 . . . . . 393 SER QB . 50154 1 1032 . 1 . 1 148 148 SER C C 13 175.040 0.00 . 1 . . . . . 393 SER C . 50154 1 1033 . 1 . 1 148 148 SER CA C 13 58.532 0.11 . 1 . . . . . 393 SER CA . 50154 1 1034 . 1 . 1 148 148 SER CB C 13 64.086 0.03 . 1 . . . . . 393 SER CB . 50154 1 1035 . 1 . 1 148 148 SER N N 15 115.397 0.10 . 1 . . . . . 393 SER N . 50154 1 1036 . 1 . 1 149 149 GLY H H 1 8.444 0.02 . 1 . . . . . 394 GLY H . 50154 1 1037 . 1 . 1 149 149 GLY HA2 H 1 4.049 0.00 . 2 . . . . . 394 GLY QA . 50154 1 1038 . 1 . 1 149 149 GLY HA3 H 1 4.049 0.00 . 2 . . . . . 394 GLY QA . 50154 1 1039 . 1 . 1 149 149 GLY C C 13 174.160 0.00 . 1 . . . . . 394 GLY C . 50154 1 1040 . 1 . 1 149 149 GLY CA C 13 45.422 0.06 . 1 . . . . . 394 GLY CA . 50154 1 1041 . 1 . 1 149 149 GLY N N 15 110.818 0.10 . 1 . . . . . 394 GLY N . 50154 1 1042 . 1 . 1 150 150 SER H H 1 8.196 0.03 . 1 . . . . . 395 SER H . 50154 1 1043 . 1 . 1 150 150 SER HA H 1 4.505 0.00 . 1 . . . . . 395 SER HA . 50154 1 1044 . 1 . 1 150 150 SER HB2 H 1 3.953 0.00 . 2 . . . . . 395 SER QB . 50154 1 1045 . 1 . 1 150 150 SER HB3 H 1 3.953 0.00 . 2 . . . . . 395 SER QB . 50154 1 1046 . 1 . 1 150 150 SER C C 13 174.934 0.00 . 1 . . . . . 395 SER C . 50154 1 1047 . 1 . 1 150 150 SER CA C 13 58.445 0.00 . 1 . . . . . 395 SER CA . 50154 1 1048 . 1 . 1 150 150 SER CB C 13 64.080 0.00 . 1 . . . . . 395 SER CB . 50154 1 1049 . 1 . 1 150 150 SER N N 15 115.512 0.05 . 1 . . . . . 395 SER N . 50154 1 1050 . 1 . 1 151 151 GLY H H 1 8.366 0.01 . 1 . . . . . 396 GLY H . 50154 1 1051 . 1 . 1 151 151 GLY HA2 H 1 3.960 0.00 . 2 . . . . . 396 GLY QA . 50154 1 1052 . 1 . 1 151 151 GLY HA3 H 1 3.960 0.00 . 2 . . . . . 396 GLY QA . 50154 1 1053 . 1 . 1 151 151 GLY C C 13 173.886 0.00 . 1 . . . . . 396 GLY C . 50154 1 1054 . 1 . 1 151 151 GLY CA C 13 45.226 0.01 . 1 . . . . . 396 GLY CA . 50154 1 1055 . 1 . 1 151 151 GLY N N 15 110.539 0.03 . 1 . . . . . 396 GLY N . 50154 1 1056 . 1 . 1 152 152 PHE H H 1 8.100 0.03 . 1 . . . . . 397 PHE H . 50154 1 1057 . 1 . 1 152 152 PHE HA H 1 4.638 0.00 . 1 . . . . . 397 PHE HA . 50154 1 1058 . 1 . 1 152 152 PHE HB2 H 1 3.124 0.00 . 2 . . . . . 397 PHE QB . 50154 1 1059 . 1 . 1 152 152 PHE HB3 H 1 3.124 0.00 . 2 . . . . . 397 PHE QB . 50154 1 1060 . 1 . 1 152 152 PHE C C 13 175.700 0.00 . 1 . . . . . 397 PHE C . 50154 1 1061 . 1 . 1 152 152 PHE CA C 13 57.947 0.04 . 1 . . . . . 397 PHE CA . 50154 1 1062 . 1 . 1 152 152 PHE CB C 13 39.875 0.00 . 1 . . . . . 397 PHE CB . 50154 1 1063 . 1 . 1 152 152 PHE N N 15 120.117 0.12 . 1 . . . . . 397 PHE N . 50154 1 1064 . 1 . 1 153 153 ASN H H 1 8.400 0.03 . 1 . . . . . 398 ASN H . 50154 1 1065 . 1 . 1 153 153 ASN HA H 1 4.659 0.00 . 1 . . . . . 398 ASN HA . 50154 1 1066 . 1 . 1 153 153 ASN HB2 H 1 2.861 0.00 . 2 . . . . . 398 ASN HB2 . 50154 1 1067 . 1 . 1 153 153 ASN HB3 H 1 2.726 0.00 . 2 . . . . . 398 ASN HB3 . 50154 1 1068 . 1 . 1 153 153 ASN C C 13 175.280 0.00 . 1 . . . . . 398 ASN C . 50154 1 1069 . 1 . 1 153 153 ASN CA C 13 53.024 0.04 . 1 . . . . . 398 ASN CA . 50154 1 1070 . 1 . 1 153 153 ASN CB C 13 38.860 0.05 . 1 . . . . . 398 ASN CB . 50154 1 1071 . 1 . 1 153 153 ASN N N 15 121.468 0.06 . 1 . . . . . 398 ASN N . 50154 1 1072 . 1 . 1 154 154 GLY H H 1 7.765 0.02 . 1 . . . . . 399 GLY H . 50154 1 1073 . 1 . 1 154 154 GLY HA2 H 1 3.952 0.00 . 2 . . . . . 399 GLY QA . 50154 1 1074 . 1 . 1 154 154 GLY HA3 H 1 3.952 0.00 . 2 . . . . . 399 GLY QA . 50154 1 1075 . 1 . 1 154 154 GLY C C 13 174.375 0.00 . 1 . . . . . 399 GLY C . 50154 1 1076 . 1 . 1 154 154 GLY CA C 13 45.551 0.00 . 1 . . . . . 399 GLY CA . 50154 1 1077 . 1 . 1 154 154 GLY N N 15 108.498 0.05 . 1 . . . . . 399 GLY N . 50154 1 1078 . 1 . 1 155 155 GLY H H 1 8.036 0.00 . 1 . . . . . 400 GLY H . 50154 1 1079 . 1 . 1 155 155 GLY HA2 H 1 3.948 0.00 . 2 . . . . . 400 GLY QA . 50154 1 1080 . 1 . 1 155 155 GLY HA3 H 1 3.948 0.00 . 2 . . . . . 400 GLY QA . 50154 1 1081 . 1 . 1 155 155 GLY C C 13 173.858 0.00 . 1 . . . . . 400 GLY C . 50154 1 1082 . 1 . 1 155 155 GLY CA C 13 45.274 0.00 . 1 . . . . . 400 GLY CA . 50154 1 1083 . 1 . 1 155 155 GLY N N 15 108.182 0.03 . 1 . . . . . 400 GLY N . 50154 1 1084 . 1 . 1 156 156 PHE H H 1 8.119 0.02 . 1 . . . . . 401 PHE H . 50154 1 1085 . 1 . 1 156 156 PHE HA H 1 4.662 0.02 . 1 . . . . . 401 PHE HA . 50154 1 1086 . 1 . 1 156 156 PHE HB2 H 1 3.235 0.01 . 2 . . . . . 401 PHE HB2 . 50154 1 1087 . 1 . 1 156 156 PHE HB3 H 1 3.066 0.00 . 2 . . . . . 401 PHE HB3 . 50154 1 1088 . 1 . 1 156 156 PHE C C 13 176.396 0.00 . 1 . . . . . 401 PHE C . 50154 1 1089 . 1 . 1 156 156 PHE CA C 13 57.971 0.12 . 1 . . . . . 401 PHE CA . 50154 1 1090 . 1 . 1 156 156 PHE CB C 13 39.702 0.14 . 1 . . . . . 401 PHE CB . 50154 1 1091 . 1 . 1 156 156 PHE N N 15 119.817 0.15 . 1 . . . . . 401 PHE N . 50154 1 1092 . 1 . 1 157 157 GLY H H 1 8.374 0.01 . 1 . . . . . 402 GLY H . 50154 1 1093 . 1 . 1 157 157 GLY HA2 H 1 3.961 0.00 . 2 . . . . . 402 GLY QA . 50154 1 1094 . 1 . 1 157 157 GLY HA3 H 1 3.961 0.00 . 2 . . . . . 402 GLY QA . 50154 1 1095 . 1 . 1 157 157 GLY C C 13 174.117 0.00 . 1 . . . . . 402 GLY C . 50154 1 1096 . 1 . 1 157 157 GLY CA C 13 45.359 0.02 . 1 . . . . . 402 GLY CA . 50154 1 1097 . 1 . 1 157 157 GLY N N 15 110.479 0.21 . 1 . . . . . 402 GLY N . 50154 1 1098 . 1 . 1 158 158 SER H H 1 8.140 0.03 . 1 . . . . . 403 SER H . 50154 1 1099 . 1 . 1 158 158 SER HA H 1 4.557 0.00 . 1 . . . . . 403 SER HA . 50154 1 1100 . 1 . 1 158 158 SER HB2 H 1 3.972 0.00 . 2 . . . . . 403 SER QB . 50154 1 1101 . 1 . 1 158 158 SER HB3 H 1 3.972 0.00 . 2 . . . . . 403 SER QB . 50154 1 1102 . 1 . 1 158 158 SER C C 13 174.807 0.00 . 1 . . . . . 403 SER C . 50154 1 1103 . 1 . 1 158 158 SER CA C 13 58.340 0.06 . 1 . . . . . 403 SER CA . 50154 1 1104 . 1 . 1 158 158 SER CB C 13 64.149 0.05 . 1 . . . . . 403 SER CB . 50154 1 1105 . 1 . 1 158 158 SER N N 15 115.517 0.06 . 1 . . . . . 403 SER N . 50154 1 1106 . 1 . 1 159 159 SER H H 1 8.387 0.02 . 1 . . . . . 404 SER H . 50154 1 1107 . 1 . 1 159 159 SER HA H 1 4.520 0.00 . 1 . . . . . 404 SER HA . 50154 1 1108 . 1 . 1 159 159 SER HB2 H 1 3.966 0.00 . 2 . . . . . 404 SER QB . 50154 1 1109 . 1 . 1 159 159 SER HB3 H 1 3.966 0.00 . 2 . . . . . 404 SER QB . 50154 1 1110 . 1 . 1 159 159 SER C C 13 174.735 0.00 . 1 . . . . . 404 SER C . 50154 1 1111 . 1 . 1 159 159 SER CA C 13 58.641 0.09 . 1 . . . . . 404 SER CA . 50154 1 1112 . 1 . 1 159 159 SER CB C 13 63.850 0.01 . 1 . . . . . 404 SER CB . 50154 1 1113 . 1 . 1 159 159 SER N N 15 117.642 0.04 . 1 . . . . . 404 SER N . 50154 1 1114 . 1 . 1 160 160 MET H H 1 8.303 0.02 . 1 . . . . . 405 MET H . 50154 1 1115 . 1 . 1 160 160 MET HA H 1 4.522 0.00 . 1 . . . . . 405 MET HA . 50154 1 1116 . 1 . 1 160 160 MET C C 13 176.044 0.00 . 1 . . . . . 405 MET C . 50154 1 1117 . 1 . 1 160 160 MET CA C 13 55.894 0.04 . 1 . . . . . 405 MET CA . 50154 1 1118 . 1 . 1 160 160 MET CB C 13 32.797 0.00 . 1 . . . . . 405 MET CB . 50154 1 1119 . 1 . 1 160 160 MET N N 15 121.551 0.09 . 1 . . . . . 405 MET N . 50154 1 1120 . 1 . 1 161 161 ASP H H 1 8.243 0.02 . 1 . . . . . 406 ASP H . 50154 1 1121 . 1 . 1 161 161 ASP C C 13 175.603 0.00 . 1 . . . . . 406 ASP C . 50154 1 1122 . 1 . 1 161 161 ASP CA C 13 53.738 0.05 . 1 . . . . . 406 ASP CA . 50154 1 1123 . 1 . 1 161 161 ASP CB C 13 39.957 0.00 . 1 . . . . . 406 ASP CB . 50154 1 1124 . 1 . 1 161 161 ASP N N 15 120.178 0.09 . 1 . . . . . 406 ASP N . 50154 1 1125 . 1 . 1 162 162 SER H H 1 8.162 0.03 . 1 . . . . . 407 SER H . 50154 1 1126 . 1 . 1 162 162 SER HA H 1 4.439 0.00 . 1 . . . . . 407 SER HA . 50154 1 1127 . 1 . 1 162 162 SER HB2 H 1 3.925 0.00 . 2 . . . . . 407 SER QB . 50154 1 1128 . 1 . 1 162 162 SER HB3 H 1 3.925 0.00 . 2 . . . . . 407 SER QB . 50154 1 1129 . 1 . 1 162 162 SER C C 13 174.645 0.00 . 1 . . . . . 407 SER C . 50154 1 1130 . 1 . 1 162 162 SER CA C 13 58.703 0.10 . 1 . . . . . 407 SER CA . 50154 1 1131 . 1 . 1 162 162 SER CB C 13 63.844 0.04 . 1 . . . . . 407 SER CB . 50154 1 1132 . 1 . 1 162 162 SER N N 15 116.349 0.05 . 1 . . . . . 407 SER N . 50154 1 1133 . 1 . 1 163 163 LYS H H 1 8.257 0.02 . 1 . . . . . 408 LYS H . 50154 1 1134 . 1 . 1 163 163 LYS HA H 1 4.418 0.00 . 1 . . . . . 408 LYS HA . 50154 1 1135 . 1 . 1 163 163 LYS HB2 H 1 1.884 0.00 . 2 . . . . . 408 LYS QB . 50154 1 1136 . 1 . 1 163 163 LYS HB3 H 1 1.884 0.00 . 2 . . . . . 408 LYS QB . 50154 1 1137 . 1 . 1 163 163 LYS C C 13 176.747 0.00 . 1 . . . . . 408 LYS C . 50154 1 1138 . 1 . 1 163 163 LYS CA C 13 56.563 0.05 . 1 . . . . . 408 LYS CA . 50154 1 1139 . 1 . 1 163 163 LYS CB C 13 32.923 0.09 . 1 . . . . . 408 LYS CB . 50154 1 1140 . 1 . 1 163 163 LYS CG C 13 24.747 0.00 . 1 . . . . . 408 LYS CG . 50154 1 1141 . 1 . 1 163 163 LYS CD C 13 28.667 0.00 . 1 . . . . . 408 LYS CD . 50154 1 1142 . 1 . 1 163 163 LYS CE C 13 39.370 0.00 . 1 . . . . . 408 LYS CE . 50154 1 1143 . 1 . 1 163 163 LYS N N 15 122.670 0.05 . 1 . . . . . 408 LYS N . 50154 1 1144 . 1 . 1 164 164 SER H H 1 8.171 0.03 . 1 . . . . . 409 SER H . 50154 1 1145 . 1 . 1 164 164 SER HA H 1 4.513 0.00 . 1 . . . . . 409 SER HA . 50154 1 1146 . 1 . 1 164 164 SER HB2 H 1 3.931 0.00 . 2 . . . . . 409 SER QB . 50154 1 1147 . 1 . 1 164 164 SER HB3 H 1 3.931 0.00 . 2 . . . . . 409 SER QB . 50154 1 1148 . 1 . 1 164 164 SER C C 13 174.609 0.00 . 1 . . . . . 409 SER C . 50154 1 1149 . 1 . 1 164 164 SER CA C 13 58.511 0.05 . 1 . . . . . 409 SER CA . 50154 1 1150 . 1 . 1 164 164 SER CB C 13 63.981 0.02 . 1 . . . . . 409 SER CB . 50154 1 1151 . 1 . 1 164 164 SER N N 15 116.158 0.06 . 1 . . . . . 409 SER N . 50154 1 1152 . 1 . 1 165 165 SER H H 1 8.244 0.02 . 1 . . . . . 410 SER H . 50154 1 1153 . 1 . 1 165 165 SER HA H 1 4.510 0.00 . 1 . . . . . 410 SER HA . 50154 1 1154 . 1 . 1 165 165 SER HB2 H 1 3.917 0.00 . 2 . . . . . 410 SER QB . 50154 1 1155 . 1 . 1 165 165 SER HB3 H 1 3.917 0.00 . 2 . . . . . 410 SER QB . 50154 1 1156 . 1 . 1 165 165 SER C C 13 174.783 0.00 . 1 . . . . . 410 SER C . 50154 1 1157 . 1 . 1 165 165 SER CA C 13 58.408 0.27 . 1 . . . . . 410 SER CA . 50154 1 1158 . 1 . 1 165 165 SER CB C 13 63.972 0.06 . 1 . . . . . 410 SER CB . 50154 1 1159 . 1 . 1 165 165 SER N N 15 117.472 0.03 . 1 . . . . . 410 SER N . 50154 1 1160 . 1 . 1 166 166 GLY H H 1 8.255 0.02 . 1 . . . . . 411 GLY H . 50154 1 1161 . 1 . 1 166 166 GLY HA2 H 1 4.000 0.00 . 2 . . . . . 411 GLY QA . 50154 1 1162 . 1 . 1 166 166 GLY HA3 H 1 4.000 0.00 . 2 . . . . . 411 GLY QA . 50154 1 1163 . 1 . 1 166 166 GLY C C 13 173.784 0.00 . 1 . . . . . 411 GLY C . 50154 1 1164 . 1 . 1 166 166 GLY CA C 13 45.342 0.03 . 1 . . . . . 411 GLY CA . 50154 1 1165 . 1 . 1 166 166 GLY N N 15 110.282 0.04 . 1 . . . . . 411 GLY N . 50154 1 1166 . 1 . 1 167 167 TRP H H 1 7.997 0.02 . 1 . . . . . 412 TRP H . 50154 1 1167 . 1 . 1 167 167 TRP HA H 1 4.691 0.00 . 1 . . . . . 412 TRP HA . 50154 1 1168 . 1 . 1 167 167 TRP HB2 H 1 3.329 0.00 . 2 . . . . . 412 TRP QB . 50154 1 1169 . 1 . 1 167 167 TRP HB3 H 1 3.329 0.00 . 2 . . . . . 412 TRP QB . 50154 1 1170 . 1 . 1 167 167 TRP C C 13 176.628 0.00 . 1 . . . . . 412 TRP C . 50154 1 1171 . 1 . 1 167 167 TRP CA C 13 57.530 0.09 . 1 . . . . . 412 TRP CA . 50154 1 1172 . 1 . 1 167 167 TRP CB C 13 29.762 0.19 . 1 . . . . . 412 TRP CB . 50154 1 1173 . 1 . 1 167 167 TRP N N 15 121.007 0.07 . 1 . . . . . 412 TRP N . 50154 1 1174 . 1 . 1 168 168 GLY H H 1 8.204 0.02 . 1 . . . . . 413 GLY H . 50154 1 1175 . 1 . 1 168 168 GLY HA2 H 1 3.889 0.00 . 1 . . . . . 413 GLY HA2 . 50154 1 1176 . 1 . 1 168 168 GLY HA3 H 1 3.807 0.00 . 1 . . . . . 413 GLY HA3 . 50154 1 1177 . 1 . 1 168 168 GLY C C 13 173.249 0.00 . 1 . . . . . 413 GLY C . 50154 1 1178 . 1 . 1 168 168 GLY CA C 13 45.474 0.02 . 1 . . . . . 413 GLY CA . 50154 1 1179 . 1 . 1 168 168 GLY N N 15 111.243 0.05 . 1 . . . . . 413 GLY N . 50154 1 1180 . 1 . 1 169 169 MET H H 1 7.705 0.04 . 1 . . . . . 414 MET H . 50154 1 1181 . 1 . 1 169 169 MET CA C 13 56.257 0.00 . 1 . . . . . 414 MET CA . 50154 1 1182 . 1 . 1 169 169 MET N N 15 123.272 0.15 . 1 . . . . . 414 MET N . 50154 1 stop_ save_