data_51421 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51421 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for T345D mutant of EZH2 loop ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-28 _Entry.Accession_date 2022-04-28 _Entry.Last_release_date 2022-04-28 _Entry.Original_release_date 2022-04-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Csenge Szabo . L. . 0000-0002-6508-3439 51421 2 Fanni Sebak . . . 0000-0001-9252-9961 51421 3 Andrea Bodor . . . 0000-0002-7422-298X 51421 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51421 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 51421 '15N chemical shifts' 95 51421 '1H chemical shifts' 302 51421 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-06-03 . original BMRB . 51421 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51420 'EZH2 loop' 51421 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51421 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.3390/ijms23116150 _Citation.Full_citation . _Citation.Title ; The Disordered EZH2 Loop: Atomic Level Characterization by 1HN- and 1Ha-Detected NMR Approaches, Interaction with the Long Noncoding HOTAIR RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International Journal of Molecular Sciences' _Citation.Journal_volume 23 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6150 _Citation.Page_last 6150 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Csenge Szabo . L. . . 51421 1 2 Beata Szabo . . . . 51421 1 3 Fanni Sebak . . . . 51421 1 4 Wolfgang Bermel . . . . 51421 1 5 Agnes Tantos . . . . 51421 1 6 Andrea Bodor . . . . 51421 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51421 _Assembly.ID 1 _Assembly.Name 'EZH2 T345D' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'EZH2 T345D' 1 $entity_1 . . yes native no no . . . 51421 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51421 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDAERIKDPPKRPGGRRRGR LPNNSSRPSTPTINVLESKD TDSDREAGTETGGENNDKEE EEKKDETSSSSEANSRCQTP IKMKPNIEPPENVEWSGALE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; M,338 D,339 A,340 ...... H,441 H,442 H,443 ; _Entity.Polymer_author_seq_details 'Residues 338-339 and 436-443 represent cloning artifacts' _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 106 _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 1 338 MET . 51421 1 2 339 ASP . 51421 1 3 340 ALA . 51421 1 4 341 GLU . 51421 1 5 342 ARG . 51421 1 6 343 ILE . 51421 1 7 344 LYS . 51421 1 8 345 ASP . 51421 1 9 346 PRO . 51421 1 10 347 PRO . 51421 1 11 348 LYS . 51421 1 12 349 ARG . 51421 1 13 350 PRO . 51421 1 14 351 GLY . 51421 1 15 352 GLY . 51421 1 16 353 ARG . 51421 1 17 354 ARG . 51421 1 18 355 ARG . 51421 1 19 356 GLY . 51421 1 20 357 ARG . 51421 1 21 358 LEU . 51421 1 22 359 PRO . 51421 1 23 360 ASN . 51421 1 24 361 ASN . 51421 1 25 362 SER . 51421 1 26 363 SER . 51421 1 27 364 ARG . 51421 1 28 365 PRO . 51421 1 29 366 SER . 51421 1 30 367 THR . 51421 1 31 368 PRO . 51421 1 32 369 THR . 51421 1 33 370 ILE . 51421 1 34 371 ASN . 51421 1 35 372 VAL . 51421 1 36 373 LEU . 51421 1 37 374 GLU . 51421 1 38 375 SER . 51421 1 39 376 LYS . 51421 1 40 377 ASP . 51421 1 41 378 THR . 51421 1 42 379 ASP . 51421 1 43 380 SER . 51421 1 44 381 ASP . 51421 1 45 382 ARG . 51421 1 46 383 GLU . 51421 1 47 384 ALA . 51421 1 48 385 GLY . 51421 1 49 386 THR . 51421 1 50 387 GLU . 51421 1 51 388 THR . 51421 1 52 389 GLY . 51421 1 53 390 GLY . 51421 1 54 391 GLU . 51421 1 55 392 ASN . 51421 1 56 393 ASN . 51421 1 57 394 ASP . 51421 1 58 395 LYS . 51421 1 59 396 GLU . 51421 1 60 397 GLU . 51421 1 61 398 GLU . 51421 1 62 399 GLU . 51421 1 63 400 LYS . 51421 1 64 401 LYS . 51421 1 65 402 ASP . 51421 1 66 403 GLU . 51421 1 67 404 THR . 51421 1 68 405 SER . 51421 1 69 406 SER . 51421 1 70 407 SER . 51421 1 71 408 SER . 51421 1 72 409 GLU . 51421 1 73 410 ALA . 51421 1 74 411 ASN . 51421 1 75 412 SER . 51421 1 76 413 ARG . 51421 1 77 414 CYS . 51421 1 78 415 GLN . 51421 1 79 416 THR . 51421 1 80 417 PRO . 51421 1 81 418 ILE . 51421 1 82 419 LYS . 51421 1 83 420 MET . 51421 1 84 421 LYS . 51421 1 85 422 PRO . 51421 1 86 423 ASN . 51421 1 87 424 ILE . 51421 1 88 425 GLU . 51421 1 89 426 PRO . 51421 1 90 427 PRO . 51421 1 91 428 GLU . 51421 1 92 429 ASN . 51421 1 93 430 VAL . 51421 1 94 431 GLU . 51421 1 95 432 TRP . 51421 1 96 433 SER . 51421 1 97 434 GLY . 51421 1 98 435 ALA . 51421 1 99 436 LEU . 51421 1 100 437 GLU . 51421 1 101 438 HIS . 51421 1 102 439 HIS . 51421 1 103 440 HIS . 51421 1 104 441 HIS . 51421 1 105 442 HIS . 51421 1 106 443 HIS . 51421 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 51421 1 . ASP 2 2 51421 1 . ALA 3 3 51421 1 . GLU 4 4 51421 1 . ARG 5 5 51421 1 . ILE 6 6 51421 1 . LYS 7 7 51421 1 . ASP 8 8 51421 1 . PRO 9 9 51421 1 . PRO 10 10 51421 1 . LYS 11 11 51421 1 . ARG 12 12 51421 1 . PRO 13 13 51421 1 . GLY 14 14 51421 1 . GLY 15 15 51421 1 . ARG 16 16 51421 1 . ARG 17 17 51421 1 . ARG 18 18 51421 1 . GLY 19 19 51421 1 . ARG 20 20 51421 1 . LEU 21 21 51421 1 . PRO 22 22 51421 1 . ASN 23 23 51421 1 . ASN 24 24 51421 1 . SER 25 25 51421 1 . SER 26 26 51421 1 . ARG 27 27 51421 1 . PRO 28 28 51421 1 . SER 29 29 51421 1 . THR 30 30 51421 1 . PRO 31 31 51421 1 . THR 32 32 51421 1 . ILE 33 33 51421 1 . ASN 34 34 51421 1 . VAL 35 35 51421 1 . LEU 36 36 51421 1 . GLU 37 37 51421 1 . SER 38 38 51421 1 . LYS 39 39 51421 1 . ASP 40 40 51421 1 . THR 41 41 51421 1 . ASP 42 42 51421 1 . SER 43 43 51421 1 . ASP 44 44 51421 1 . ARG 45 45 51421 1 . GLU 46 46 51421 1 . ALA 47 47 51421 1 . GLY 48 48 51421 1 . THR 49 49 51421 1 . GLU 50 50 51421 1 . THR 51 51 51421 1 . GLY 52 52 51421 1 . GLY 53 53 51421 1 . GLU 54 54 51421 1 . ASN 55 55 51421 1 . ASN 56 56 51421 1 . ASP 57 57 51421 1 . LYS 58 58 51421 1 . GLU 59 59 51421 1 . GLU 60 60 51421 1 . GLU 61 61 51421 1 . GLU 62 62 51421 1 . LYS 63 63 51421 1 . LYS 64 64 51421 1 . ASP 65 65 51421 1 . GLU 66 66 51421 1 . THR 67 67 51421 1 . SER 68 68 51421 1 . SER 69 69 51421 1 . SER 70 70 51421 1 . SER 71 71 51421 1 . GLU 72 72 51421 1 . ALA 73 73 51421 1 . ASN 74 74 51421 1 . SER 75 75 51421 1 . ARG 76 76 51421 1 . CYS 77 77 51421 1 . GLN 78 78 51421 1 . THR 79 79 51421 1 . PRO 80 80 51421 1 . ILE 81 81 51421 1 . LYS 82 82 51421 1 . MET 83 83 51421 1 . LYS 84 84 51421 1 . PRO 85 85 51421 1 . ASN 86 86 51421 1 . ILE 87 87 51421 1 . GLU 88 88 51421 1 . PRO 89 89 51421 1 . PRO 90 90 51421 1 . GLU 91 91 51421 1 . ASN 92 92 51421 1 . VAL 93 93 51421 1 . GLU 94 94 51421 1 . TRP 95 95 51421 1 . SER 96 96 51421 1 . GLY 97 97 51421 1 . ALA 98 98 51421 1 . LEU 99 99 51421 1 . GLU 100 100 51421 1 . HIS 101 101 51421 1 . HIS 102 102 51421 1 . HIS 103 103 51421 1 . HIS 104 104 51421 1 . HIS 105 105 51421 1 . HIS 106 106 51421 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 51421 _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 . . . . . . . . . . . . . 51421 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 51421 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET22b (+)' . . . 51421 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51421 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 EZH2_T345D '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51421 1 2 PBS 'natural abundance' . . . . . . 150 . . mM . . . . 51421 1 3 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 51421 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51421 1 5 DSS 'natural abundance' . . . . . . 1 . . % . . . . 51421 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 51421 _Sample_condition_list.ID 1 _Sample_condition_list.Name 278K _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 7 . pH 51421 1 pressure 1 . atm 51421 1 temperature 278 . K 51421 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51421 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51421 1 processing . 51421 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51421 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51421 2 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 51421 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51421 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 1 5 '2D SHACA-HSCQ' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 1 6 '3D HCAN' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51421 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 51421 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51421 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51421 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51421 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 51421 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EZH2_T345D_list1 _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' . . . 51421 1 2 '3D HNCA' . . . 51421 1 3 '3D HNCACB' . . . 51421 1 4 '3D HNCO' . . . 51421 1 5 '2D SHACA-HSCQ' . . . 51421 1 6 '3D HCAN' . . . 51421 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51421 1 2 $software_2 . . 51421 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 ALA H H 1 8.652 0.02 . 1 . . . . . 340 ALA H . 51421 1 2 . 1 . 1 3 3 ALA HA H 1 4.235 0.02 . 1 . . . . . 340 ALA HA . 51421 1 3 . 1 . 1 3 3 ALA HB1 H 1 1.386 0.02 . 1 . . . . . 340 ALA HB . 51421 1 4 . 1 . 1 3 3 ALA HB2 H 1 1.386 0.02 . 1 . . . . . 340 ALA HB . 51421 1 5 . 1 . 1 3 3 ALA HB3 H 1 1.386 0.02 . 1 . . . . . 340 ALA HB . 51421 1 6 . 1 . 1 3 3 ALA C C 13 177.837 0.3 . 1 . . . . . 340 ALA C . 51421 1 7 . 1 . 1 3 3 ALA CA C 13 52.76 0.3 . 1 . . . . . 340 ALA CA . 51421 1 8 . 1 . 1 3 3 ALA CB C 13 18.806 0.3 . 1 . . . . . 340 ALA CB . 51421 1 9 . 1 . 1 3 3 ALA N N 15 125.261 0.3 . 1 . . . . . 340 ALA N . 51421 1 10 . 1 . 1 4 4 GLU H H 1 8.543 0.02 . 1 . . . . . 341 GLU H . 51421 1 11 . 1 . 1 4 4 GLU HA H 1 4.207 0.02 . 1 . . . . . 341 GLU HA . 51421 1 12 . 1 . 1 4 4 GLU HB2 H 1 2.051 0.02 . 1 . . . . . 341 GLU HB2 . 51421 1 13 . 1 . 1 4 4 GLU HB3 H 1 2.051 0.02 . 1 . . . . . 341 GLU HB3 . 51421 1 14 . 1 . 1 4 4 GLU C C 13 176.672 0.3 . 1 . . . . . 341 GLU C . 51421 1 15 . 1 . 1 4 4 GLU CA C 13 56.597 0.3 . 1 . . . . . 341 GLU CA . 51421 1 16 . 1 . 1 4 4 GLU CB C 13 30.04 0.3 . 1 . . . . . 341 GLU CB . 51421 1 17 . 1 . 1 4 4 GLU N N 15 120.124 0.3 . 1 . . . . . 341 GLU N . 51421 1 18 . 1 . 1 5 5 ARG H H 1 8.407 0.02 . 1 . . . . . 342 ARG H . 51421 1 19 . 1 . 1 5 5 ARG HA H 1 4.279 0.02 . 1 . . . . . 342 ARG HA . 51421 1 20 . 1 . 1 5 5 ARG C C 13 176.353 0.3 . 1 . . . . . 342 ARG C . 51421 1 21 . 1 . 1 5 5 ARG CA C 13 55.923 0.3 . 1 . . . . . 342 ARG CA . 51421 1 22 . 1 . 1 5 5 ARG CB C 13 30.539 0.3 . 1 . . . . . 342 ARG CB . 51421 1 23 . 1 . 1 5 5 ARG N N 15 122.765 0.3 . 1 . . . . . 342 ARG N . 51421 1 24 . 1 . 1 6 6 ILE H H 1 8.343 0.02 . 1 . . . . . 343 ILE H . 51421 1 25 . 1 . 1 6 6 ILE HA H 1 4.11 0.02 . 1 . . . . . 343 ILE HA . 51421 1 26 . 1 . 1 6 6 ILE HB H 1 1.845 0.02 . 1 . . . . . 343 ILE HB . 51421 1 27 . 1 . 1 6 6 ILE HD11 H 1 0.808 0.02 . 1 . . . . . 343 ILE HD1 . 51421 1 28 . 1 . 1 6 6 ILE HD12 H 1 0.808 0.02 . 1 . . . . . 343 ILE HD1 . 51421 1 29 . 1 . 1 6 6 ILE HD13 H 1 0.808 0.02 . 1 . . . . . 343 ILE HD1 . 51421 1 30 . 1 . 1 6 6 ILE C C 13 176.204 0.3 . 1 . . . . . 343 ILE C . 51421 1 31 . 1 . 1 6 6 ILE CA C 13 61.144 0.3 . 1 . . . . . 343 ILE CA . 51421 1 32 . 1 . 1 6 6 ILE CB C 13 38.174 0.3 . 1 . . . . . 343 ILE CB . 51421 1 33 . 1 . 1 6 6 ILE N N 15 123.414 0.3 . 1 . . . . . 343 ILE N . 51421 1 34 . 1 . 1 7 7 LYS H H 1 8.563 0.02 . 1 . . . . . 344 LYS H . 51421 1 35 . 1 . 1 7 7 LYS HA H 1 4.363 0.02 . 1 . . . . . 344 LYS HA . 51421 1 36 . 1 . 1 7 7 LYS HB2 H 1 1.664 0.02 . 1 . . . . . 344 LYS HB2 . 51421 1 37 . 1 . 1 7 7 LYS HB3 H 1 1.664 0.02 . 1 . . . . . 344 LYS HB3 . 51421 1 38 . 1 . 1 7 7 LYS CA C 13 56.148 0.3 . 1 . . . . . 344 LYS CA . 51421 1 39 . 1 . 1 7 7 LYS CB C 13 32.996 0.3 . 1 . . . . . 344 LYS CB . 51421 1 40 . 1 . 1 7 7 LYS N N 15 126.742 0.3 . 1 . . . . . 344 LYS N . 51421 1 41 . 1 . 1 8 8 ASP H H 1 8.468 0.02 . 1 . . . . . 345 ASP H . 51421 1 42 . 1 . 1 8 8 ASP HA H 1 4.814 0.02 . 1 . . . . . 345 ASP HA . 51421 1 43 . 1 . 1 8 8 ASP CA C 13 52.831 0.3 . 1 . . . . . 345 ASP CA . 51421 1 44 . 1 . 1 8 8 ASP CB C 13 40.054 0.3 . 1 . . . . . 345 ASP CB . 51421 1 45 . 1 . 1 8 8 ASP N N 15 122.99 0.3 . 1 . . . . . 345 ASP N . 51421 1 46 . 1 . 1 9 9 PRO HA H 1 4.682 0.02 . 1 . . . . . 346 PRO HA . 51421 1 47 . 1 . 1 9 9 PRO CA C 13 61.462 0.3 . 1 . . . . . 346 PRO CA . 51421 1 48 . 1 . 1 9 9 PRO N N 15 137.104 0.3 . 1 . . . . . 346 PRO N . 51421 1 49 . 1 . 1 10 10 PRO HA H 1 4.404 0.02 . 1 . . . . . 347 PRO HA . 51421 1 50 . 1 . 1 10 10 PRO CA C 13 62.77 0.3 . 1 . . . . . 347 PRO CA . 51421 1 51 . 1 . 1 10 10 PRO N N 15 135.323 0.3 . 1 . . . . . 347 PRO N . 51421 1 52 . 1 . 1 11 11 LYS H H 1 8.58 0.02 . 1 . . . . . 348 LYS H . 51421 1 53 . 1 . 1 11 11 LYS HA H 1 4.277 0.02 . 1 . . . . . 348 LYS HA . 51421 1 54 . 1 . 1 11 11 LYS CA C 13 56.192 0.3 . 1 . . . . . 348 LYS CA . 51421 1 55 . 1 . 1 11 11 LYS CB C 13 32.95 0.3 . 1 . . . . . 348 LYS CB . 51421 1 56 . 1 . 1 11 11 LYS N N 15 122.162 0.3 . 1 . . . . . 348 LYS N . 51421 1 57 . 1 . 1 12 12 ARG H H 1 8.587 0.02 . 1 . . . . . 349 ARG H . 51421 1 58 . 1 . 1 12 12 ARG HA H 1 4.632 0.02 . 1 . . . . . 349 ARG HA . 51421 1 59 . 1 . 1 12 12 ARG CA C 13 53.856 0.3 . 1 . . . . . 349 ARG CA . 51421 1 60 . 1 . 1 12 12 ARG CB C 13 30.017 0.3 . 1 . . . . . 349 ARG CB . 51421 1 61 . 1 . 1 12 12 ARG N N 15 123.892 0.3 . 1 . . . . . 349 ARG N . 51421 1 62 . 1 . 1 13 13 PRO HA H 1 4.43 0.02 . 1 . . . . . 350 PRO HA . 51421 1 63 . 1 . 1 13 13 PRO CA C 13 63.453 0.3 . 1 . . . . . 350 PRO CA . 51421 1 64 . 1 . 1 13 13 PRO CB C 13 31.792 0.3 . 1 . . . . . 350 PRO CB . 51421 1 65 . 1 . 1 13 13 PRO N N 15 137.471 0.3 . 1 . . . . . 350 PRO N . 51421 1 66 . 1 . 1 14 14 GLY H H 1 8.715 0.02 . 1 . . . . . 351 GLY H . 51421 1 67 . 1 . 1 14 14 GLY C C 13 174.689 0.3 . 1 . . . . . 351 GLY C . 51421 1 68 . 1 . 1 14 14 GLY CA C 13 45.243 0.3 . 1 . . . . . 351 GLY CA . 51421 1 69 . 1 . 1 14 14 GLY N N 15 110.133 0.3 . 1 . . . . . 351 GLY N . 51421 1 70 . 1 . 1 15 15 GLY H H 1 8.391 0.02 . 1 . . . . . 352 GLY H . 51421 1 71 . 1 . 1 15 15 GLY HA2 H 1 3.957 0.02 . 1 . . . . . 352 GLY HA2 . 51421 1 72 . 1 . 1 15 15 GLY HA3 H 1 3.957 0.02 . 1 . . . . . 352 GLY HA3 . 51421 1 73 . 1 . 1 15 15 GLY CA C 13 44.974 0.3 . 1 . . . . . 352 GLY CA . 51421 1 74 . 1 . 1 15 15 GLY N N 15 108.797 0.3 . 1 . . . . . 352 GLY N . 51421 1 75 . 1 . 1 16 16 ARG H H 1 8.389 0.02 . 1 . . . . . 353 ARG H . 51421 1 76 . 1 . 1 16 16 ARG CA C 13 56.029 0.3 . 1 . . . . . 353 ARG CA . 51421 1 77 . 1 . 1 16 16 ARG CB C 13 30.715 0.3 . 1 . . . . . 353 ARG CB . 51421 1 78 . 1 . 1 16 16 ARG N N 15 120.889 0.3 . 1 . . . . . 353 ARG N . 51421 1 79 . 1 . 1 18 18 ARG H H 1 8.724 0.02 . 1 . . . . . 355 ARG H . 51421 1 80 . 1 . 1 18 18 ARG CA C 13 56.104 0.3 . 1 . . . . . 355 ARG CA . 51421 1 81 . 1 . 1 18 18 ARG CB C 13 30.211 0.3 . 1 . . . . . 355 ARG CB . 51421 1 82 . 1 . 1 18 18 ARG N N 15 123.946 0.3 . 1 . . . . . 355 ARG N . 51421 1 83 . 1 . 1 19 19 GLY H H 1 8.575 0.02 . 1 . . . . . 356 GLY H . 51421 1 84 . 1 . 1 19 19 GLY HA2 H 1 3.971 0.02 . 1 . . . . . 356 GLY HA2 . 51421 1 85 . 1 . 1 19 19 GLY HA3 H 1 3.971 0.02 . 1 . . . . . 356 GLY HA3 . 51421 1 86 . 1 . 1 19 19 GLY CA C 13 45.011 0.3 . 1 . . . . . 356 GLY CA . 51421 1 87 . 1 . 1 19 19 GLY N N 15 110.241 0.3 . 1 . . . . . 356 GLY N . 51421 1 88 . 1 . 1 20 20 ARG H H 1 8.345 0.02 . 1 . . . . . 357 ARG H . 51421 1 89 . 1 . 1 20 20 ARG C C 13 176.522 0.3 . 1 . . . . . 357 ARG C . 51421 1 90 . 1 . 1 20 20 ARG CA C 13 56.181 0.3 . 1 . . . . . 357 ARG CA . 51421 1 91 . 1 . 1 20 20 ARG CB C 13 30.981 0.3 . 1 . . . . . 357 ARG CB . 51421 1 92 . 1 . 1 20 20 ARG N N 15 121.142 0.3 . 1 . . . . . 357 ARG N . 51421 1 93 . 1 . 1 21 21 LEU H H 1 8.666 0.02 . 1 . . . . . 358 LEU H . 51421 1 94 . 1 . 1 21 21 LEU HA H 1 4.628 0.02 . 1 . . . . . 358 LEU HA . 51421 1 95 . 1 . 1 21 21 LEU HB2 H 1 1.575 0.02 . 1 . . . . . 358 LEU HB2 . 51421 1 96 . 1 . 1 21 21 LEU HB3 H 1 1.575 0.02 . 1 . . . . . 358 LEU HB3 . 51421 1 97 . 1 . 1 21 21 LEU CA C 13 53.042 0.3 . 1 . . . . . 358 LEU CA . 51421 1 98 . 1 . 1 21 21 LEU CB C 13 41.364 0.3 . 1 . . . . . 358 LEU CB . 51421 1 99 . 1 . 1 21 21 LEU N N 15 125.627 0.3 . 1 . . . . . 358 LEU N . 51421 1 100 . 1 . 1 22 22 PRO HA H 1 4.405 0.02 . 1 . . . . . 359 PRO HA . 51421 1 101 . 1 . 1 22 22 PRO C C 13 176.55 0.3 . 1 . . . . . 359 PRO C . 51421 1 102 . 1 . 1 22 22 PRO CA C 13 62.996 0.3 . 1 . . . . . 359 PRO CA . 51421 1 103 . 1 . 1 22 22 PRO CB C 13 32.052 0.3 . 1 . . . . . 359 PRO CB . 51421 1 104 . 1 . 1 22 22 PRO N N 15 135.432 0.3 . 1 . . . . . 359 PRO N . 51421 1 105 . 1 . 1 23 23 ASN H H 1 8.694 0.02 . 1 . . . . . 360 ASN H . 51421 1 106 . 1 . 1 23 23 ASN HA H 1 4.652 0.02 . 1 . . . . . 360 ASN HA . 51421 1 107 . 1 . 1 23 23 ASN HB2 H 1 2.774 0.02 . 1 . . . . . 360 ASN HB2 . 51421 1 108 . 1 . 1 23 23 ASN HB3 H 1 2.774 0.02 . 1 . . . . . 360 ASN HB3 . 51421 1 109 . 1 . 1 23 23 ASN C C 13 174.986 0.3 . 1 . . . . . 360 ASN C . 51421 1 110 . 1 . 1 23 23 ASN CA C 13 53.273 0.3 . 1 . . . . . 360 ASN CA . 51421 1 111 . 1 . 1 23 23 ASN CB C 13 38.648 0.3 . 1 . . . . . 360 ASN CB . 51421 1 112 . 1 . 1 23 23 ASN N N 15 119.681 0.3 . 1 . . . . . 360 ASN N . 51421 1 113 . 1 . 1 24 24 ASN H H 1 8.573 0.02 . 1 . . . . . 361 ASN H . 51421 1 114 . 1 . 1 24 24 ASN HA H 1 4.753 0.02 . 1 . . . . . 361 ASN HA . 51421 1 115 . 1 . 1 24 24 ASN C C 13 175.488 0.3 . 1 . . . . . 361 ASN C . 51421 1 116 . 1 . 1 24 24 ASN CA C 13 53.315 0.3 . 1 . . . . . 361 ASN CA . 51421 1 117 . 1 . 1 24 24 ASN CB C 13 38.614 0.3 . 1 . . . . . 361 ASN CB . 51421 1 118 . 1 . 1 24 24 ASN N N 15 120.199 0.3 . 1 . . . . . 361 ASN N . 51421 1 119 . 1 . 1 25 25 SER H H 1 8.423 0.02 . 1 . . . . . 362 SER H . 51421 1 120 . 1 . 1 25 25 SER HA H 1 4.463 0.02 . 1 . . . . . 362 SER HA . 51421 1 121 . 1 . 1 25 25 SER C C 13 174.466 0.3 . 1 . . . . . 362 SER C . 51421 1 122 . 1 . 1 25 25 SER CA C 13 58.741 0.3 . 1 . . . . . 362 SER CA . 51421 1 123 . 1 . 1 25 25 SER CB C 13 63.629 0.3 . 1 . . . . . 362 SER CB . 51421 1 124 . 1 . 1 25 25 SER N N 15 116.32 0.3 . 1 . . . . . 362 SER N . 51421 1 125 . 1 . 1 26 26 SER H H 1 8.443 0.02 . 1 . . . . . 363 SER H . 51421 1 126 . 1 . 1 26 26 SER HA H 1 4.47 0.02 . 1 . . . . . 363 SER HA . 51421 1 127 . 1 . 1 26 26 SER C C 13 173.893 0.3 . 1 . . . . . 363 SER C . 51421 1 128 . 1 . 1 26 26 SER CA C 13 58.384 0.3 . 1 . . . . . 363 SER CA . 51421 1 129 . 1 . 1 26 26 SER CB C 13 63.501 0.3 . 1 . . . . . 363 SER CB . 51421 1 130 . 1 . 1 26 26 SER N N 15 117.9 0.3 . 1 . . . . . 363 SER N . 51421 1 131 . 1 . 1 27 27 ARG H H 1 8.365 0.02 . 1 . . . . . 364 ARG H . 51421 1 132 . 1 . 1 27 27 ARG HA H 1 4.653 0.02 . 1 . . . . . 364 ARG HA . 51421 1 133 . 1 . 1 27 27 ARG HB2 H 1 1.729 0.02 . 1 . . . . . 364 ARG HB2 . 51421 1 134 . 1 . 1 27 27 ARG HB3 H 1 1.729 0.02 . 1 . . . . . 364 ARG HB3 . 51421 1 135 . 1 . 1 27 27 ARG CA C 13 53.961 0.3 . 1 . . . . . 364 ARG CA . 51421 1 136 . 1 . 1 27 27 ARG CB C 13 30.032 0.3 . 1 . . . . . 364 ARG CB . 51421 1 137 . 1 . 1 27 27 ARG N N 15 124.03 0.3 . 1 . . . . . 364 ARG N . 51421 1 138 . 1 . 1 28 28 PRO HA H 1 4.476 0.02 . 1 . . . . . 365 PRO HA . 51421 1 139 . 1 . 1 28 28 PRO C C 13 177.086 0.3 . 1 . . . . . 365 PRO C . 51421 1 140 . 1 . 1 28 28 PRO CA C 13 63.14 0.3 . 1 . . . . . 365 PRO CA . 51421 1 141 . 1 . 1 28 28 PRO CB C 13 32.084 0.3 . 1 . . . . . 365 PRO CB . 51421 1 142 . 1 . 1 28 28 PRO N N 15 137.461 0.3 . 1 . . . . . 365 PRO N . 51421 1 143 . 1 . 1 29 29 SER H H 1 8.669 0.02 . 1 . . . . . 366 SER H . 51421 1 144 . 1 . 1 29 29 SER HA H 1 4.436 0.02 . 1 . . . . . 366 SER HA . 51421 1 145 . 1 . 1 29 29 SER HB2 H 1 3.896 0.02 . 1 . . . . . 366 SER HB2 . 51421 1 146 . 1 . 1 29 29 SER HB3 H 1 3.896 0.02 . 1 . . . . . 366 SER HB3 . 51421 1 147 . 1 . 1 29 29 SER C C 13 174.242 0.3 . 1 . . . . . 366 SER C . 51421 1 148 . 1 . 1 29 29 SER CA C 13 58.301 0.3 . 1 . . . . . 366 SER CA . 51421 1 149 . 1 . 1 29 29 SER CB C 13 63.543 0.3 . 1 . . . . . 366 SER CB . 51421 1 150 . 1 . 1 29 29 SER N N 15 117.082 0.3 . 1 . . . . . 366 SER N . 51421 1 151 . 1 . 1 30 30 THR H H 1 8.329 0.02 . 1 . . . . . 367 THR H . 51421 1 152 . 1 . 1 30 30 THR HA H 1 4.632 0.02 . 1 . . . . . 367 THR HA . 51421 1 153 . 1 . 1 30 30 THR HG21 H 1 1.289 0.02 . 1 . . . . . 367 THR HG2 . 51421 1 154 . 1 . 1 30 30 THR HG22 H 1 1.289 0.02 . 1 . . . . . 367 THR HG2 . 51421 1 155 . 1 . 1 30 30 THR HG23 H 1 1.289 0.02 . 1 . . . . . 367 THR HG2 . 51421 1 156 . 1 . 1 30 30 THR CA C 13 59.762 0.3 . 1 . . . . . 367 THR CA . 51421 1 157 . 1 . 1 30 30 THR CB C 13 69.42 0.3 . 1 . . . . . 367 THR CB . 51421 1 158 . 1 . 1 30 30 THR N N 15 118.535 0.3 . 1 . . . . . 367 THR N . 51421 1 159 . 1 . 1 31 31 PRO HA H 1 4.479 0.02 . 1 . . . . . 368 PRO HA . 51421 1 160 . 1 . 1 31 31 PRO C C 13 177.086 0.3 . 1 . . . . . 368 PRO C . 51421 1 161 . 1 . 1 31 31 PRO CA C 13 63.325 0.3 . 1 . . . . . 368 PRO CA . 51421 1 162 . 1 . 1 31 31 PRO CB C 13 32.121 0.3 . 1 . . . . . 368 PRO CB . 51421 1 163 . 1 . 1 31 31 PRO N N 15 138.859 0.3 . 1 . . . . . 368 PRO N . 51421 1 164 . 1 . 1 32 32 THR H H 1 8.49 0.02 . 1 . . . . . 369 THR H . 51421 1 165 . 1 . 1 32 32 THR HA H 1 4.632 0.02 . 1 . . . . . 369 THR HA . 51421 1 166 . 1 . 1 32 32 THR HB H 1 4.255 0.02 . 1 . . . . . 369 THR HB . 51421 1 167 . 1 . 1 32 32 THR HG21 H 1 1.183 0.02 . 1 . . . . . 369 THR HG2 . 51421 1 168 . 1 . 1 32 32 THR HG22 H 1 1.183 0.02 . 1 . . . . . 369 THR HG2 . 51421 1 169 . 1 . 1 32 32 THR HG23 H 1 1.183 0.02 . 1 . . . . . 369 THR HG2 . 51421 1 170 . 1 . 1 32 32 THR C C 13 174.455 0.3 . 1 . . . . . 369 THR C . 51421 1 171 . 1 . 1 32 32 THR CA C 13 62.131 0.3 . 1 . . . . . 369 THR CA . 51421 1 172 . 1 . 1 32 32 THR CB C 13 69.649 0.3 . 1 . . . . . 369 THR CB . 51421 1 173 . 1 . 1 32 32 THR N N 15 116.39 0.3 . 1 . . . . . 369 THR N . 51421 1 174 . 1 . 1 33 33 ILE H H 1 8.336 0.02 . 1 . . . . . 370 ILE H . 51421 1 175 . 1 . 1 33 33 ILE HA H 1 4.173 0.02 . 1 . . . . . 370 ILE HA . 51421 1 176 . 1 . 1 33 33 ILE HB H 1 1.827 0.02 . 1 . . . . . 370 ILE HB . 51421 1 177 . 1 . 1 33 33 ILE HG12 H 1 0.886 0.02 . 1 . . . . . 370 ILE HG12 . 51421 1 178 . 1 . 1 33 33 ILE C C 13 175.639 0.3 . 1 . . . . . 370 ILE C . 51421 1 179 . 1 . 1 33 33 ILE CA C 13 60.935 0.3 . 1 . . . . . 370 ILE CA . 51421 1 180 . 1 . 1 33 33 ILE CB C 13 38.777 0.3 . 1 . . . . . 370 ILE CB . 51421 1 181 . 1 . 1 33 33 ILE N N 15 123.995 0.3 . 1 . . . . . 370 ILE N . 51421 1 182 . 1 . 1 34 34 ASN H H 1 8.706 0.02 . 1 . . . . . 371 ASN H . 51421 1 183 . 1 . 1 34 34 ASN HA H 1 4.749 0.02 . 1 . . . . . 371 ASN HA . 51421 1 184 . 1 . 1 34 34 ASN HB2 H 1 2.746 0.02 . 1 . . . . . 371 ASN HB2 . 51421 1 185 . 1 . 1 34 34 ASN HB3 H 1 2.746 0.02 . 1 . . . . . 371 ASN HB3 . 51421 1 186 . 1 . 1 34 34 ASN C C 13 175.206 0.3 . 1 . . . . . 371 ASN C . 51421 1 187 . 1 . 1 34 34 ASN CA C 13 52.998 0.3 . 1 . . . . . 371 ASN CA . 51421 1 188 . 1 . 1 34 34 ASN CB C 13 38.68 0.3 . 1 . . . . . 371 ASN CB . 51421 1 189 . 1 . 1 34 34 ASN N N 15 123.929 0.3 . 1 . . . . . 371 ASN N . 51421 1 190 . 1 . 1 35 35 VAL H H 1 8.367 0.02 . 1 . . . . . 372 VAL H . 51421 1 191 . 1 . 1 35 35 VAL HA H 1 4.069 0.02 . 1 . . . . . 372 VAL HA . 51421 1 192 . 1 . 1 35 35 VAL HB H 1 2.081 0.02 . 1 . . . . . 372 VAL HB . 51421 1 193 . 1 . 1 35 35 VAL HG11 H 1 0.911 0.02 . 1 . . . . . 372 VAL HG11 . 51421 1 194 . 1 . 1 35 35 VAL HG12 H 1 0.911 0.02 . 1 . . . . . 372 VAL HG12 . 51421 1 195 . 1 . 1 35 35 VAL HG13 H 1 0.911 0.02 . 1 . . . . . 372 VAL HG13 . 51421 1 196 . 1 . 1 35 35 VAL C C 13 176.391 0.3 . 1 . . . . . 372 VAL C . 51421 1 197 . 1 . 1 35 35 VAL CA C 13 62.637 0.3 . 1 . . . . . 372 VAL CA . 51421 1 198 . 1 . 1 35 35 VAL CB C 13 32.356 0.3 . 1 . . . . . 372 VAL CB . 51421 1 199 . 1 . 1 35 35 VAL N N 15 121.837 0.3 . 1 . . . . . 372 VAL N . 51421 1 200 . 1 . 1 36 36 LEU H H 1 8.421 0.02 . 1 . . . . . 373 LEU H . 51421 1 201 . 1 . 1 36 36 LEU HA H 1 4.354 0.02 . 1 . . . . . 373 LEU HA . 51421 1 202 . 1 . 1 36 36 LEU HB2 H 1 1.606 0.02 . 1 . . . . . 373 LEU HB2 . 51421 1 203 . 1 . 1 36 36 LEU HB3 H 1 1.606 0.02 . 1 . . . . . 373 LEU HB3 . 51421 1 204 . 1 . 1 36 36 LEU C C 13 177.507 0.3 . 1 . . . . . 373 LEU C . 51421 1 205 . 1 . 1 36 36 LEU CA C 13 55.143 0.3 . 1 . . . . . 373 LEU CA . 51421 1 206 . 1 . 1 36 36 LEU CB C 13 41.894 0.3 . 1 . . . . . 373 LEU CB . 51421 1 207 . 1 . 1 36 36 LEU N N 15 125.598 0.3 . 1 . . . . . 373 LEU N . 51421 1 208 . 1 . 1 37 37 GLU H H 1 8.426 0.02 . 1 . . . . . 374 GLU H . 51421 1 209 . 1 . 1 37 37 GLU HA H 1 4.286 0.02 . 1 . . . . . 374 GLU HA . 51421 1 210 . 1 . 1 37 37 GLU HB2 H 1 2.135 0.02 . 1 . . . . . 374 GLU HB2 . 51421 1 211 . 1 . 1 37 37 GLU HB3 H 1 2.135 0.02 . 1 . . . . . 374 GLU HB3 . 51421 1 212 . 1 . 1 37 37 GLU C C 13 176.503 0.3 . 1 . . . . . 374 GLU C . 51421 1 213 . 1 . 1 37 37 GLU CA C 13 56.411 0.3 . 1 . . . . . 374 GLU CA . 51421 1 214 . 1 . 1 37 37 GLU CB C 13 30.071 0.3 . 1 . . . . . 374 GLU CB . 51421 1 215 . 1 . 1 37 37 GLU N N 15 122.228 0.3 . 1 . . . . . 374 GLU N . 51421 1 216 . 1 . 1 38 38 SER H H 1 8.484 0.02 . 1 . . . . . 375 SER H . 51421 1 217 . 1 . 1 38 38 SER HA H 1 4.436 0.02 . 1 . . . . . 375 SER HA . 51421 1 218 . 1 . 1 38 38 SER C C 13 174.586 0.3 . 1 . . . . . 375 SER C . 51421 1 219 . 1 . 1 38 38 SER CA C 13 58.262 0.3 . 1 . . . . . 375 SER CA . 51421 1 220 . 1 . 1 38 38 SER CB C 13 63.63 0.3 . 1 . . . . . 375 SER CB . 51421 1 221 . 1 . 1 38 38 SER N N 15 117.799 0.3 . 1 . . . . . 375 SER N . 51421 1 222 . 1 . 1 39 39 LYS H H 1 8.572 0.02 . 1 . . . . . 376 LYS H . 51421 1 223 . 1 . 1 39 39 LYS HA H 1 4.393 0.02 . 1 . . . . . 376 LYS HA . 51421 1 224 . 1 . 1 39 39 LYS HB2 H 1 1.706 0.02 . 1 . . . . . 376 LYS HB2 . 51421 1 225 . 1 . 1 39 39 LYS HB3 H 1 1.706 0.02 . 1 . . . . . 376 LYS HB3 . 51421 1 226 . 1 . 1 39 39 LYS C C 13 176.476 0.3 . 1 . . . . . 376 LYS C . 51421 1 227 . 1 . 1 39 39 LYS CA C 13 56.171 0.3 . 1 . . . . . 376 LYS CA . 51421 1 228 . 1 . 1 39 39 LYS CB C 13 32.983 0.3 . 1 . . . . . 376 LYS CB . 51421 1 229 . 1 . 1 39 39 LYS N N 15 123.745 0.3 . 1 . . . . . 376 LYS N . 51421 1 230 . 1 . 1 40 40 ASP H H 1 8.546 0.02 . 1 . . . . . 377 ASP H . 51421 1 231 . 1 . 1 40 40 ASP HA H 1 4.658 0.02 . 1 . . . . . 377 ASP HA . 51421 1 232 . 1 . 1 40 40 ASP HB2 H 1 2.68 0.02 . 1 . . . . . 377 ASP HB2 . 51421 1 233 . 1 . 1 40 40 ASP HB3 H 1 2.68 0.02 . 1 . . . . . 377 ASP HB3 . 51421 1 234 . 1 . 1 40 40 ASP C C 13 176.702 0.3 . 1 . . . . . 377 ASP C . 51421 1 235 . 1 . 1 40 40 ASP CA C 13 54.604 0.3 . 1 . . . . . 377 ASP CA . 51421 1 236 . 1 . 1 40 40 ASP CB C 13 40.824 0.3 . 1 . . . . . 377 ASP CB . 51421 1 237 . 1 . 1 40 40 ASP N N 15 121.9 0.3 . 1 . . . . . 377 ASP N . 51421 1 238 . 1 . 1 41 41 THR H H 1 8.227 0.02 . 1 . . . . . 378 THR H . 51421 1 239 . 1 . 1 41 41 THR HA H 1 4.332 0.02 . 1 . . . . . 378 THR HA . 51421 1 240 . 1 . 1 41 41 THR HG21 H 1 1.187 0.02 . 1 . . . . . 378 THR HG2 . 51421 1 241 . 1 . 1 41 41 THR HG22 H 1 1.187 0.02 . 1 . . . . . 378 THR HG2 . 51421 1 242 . 1 . 1 41 41 THR HG23 H 1 1.187 0.02 . 1 . . . . . 378 THR HG2 . 51421 1 243 . 1 . 1 41 41 THR C C 13 174.806 0.3 . 1 . . . . . 378 THR C . 51421 1 244 . 1 . 1 41 41 THR CA C 13 62.002 0.3 . 1 . . . . . 378 THR CA . 51421 1 245 . 1 . 1 41 41 THR CB C 13 69.415 0.3 . 1 . . . . . 378 THR CB . 51421 1 246 . 1 . 1 41 41 THR N N 15 113.909 0.3 . 1 . . . . . 378 THR N . 51421 1 247 . 1 . 1 42 42 ASP H H 1 8.505 0.02 . 1 . . . . . 379 ASP H . 51421 1 248 . 1 . 1 42 42 ASP HA H 1 4.645 0.02 . 1 . . . . . 379 ASP HA . 51421 1 249 . 1 . 1 42 42 ASP HB2 H 1 2.674 0.02 . 1 . . . . . 379 ASP HB2 . 51421 1 250 . 1 . 1 42 42 ASP HB3 H 1 2.674 0.02 . 1 . . . . . 379 ASP HB3 . 51421 1 251 . 1 . 1 42 42 ASP C C 13 176.938 0.3 . 1 . . . . . 379 ASP C . 51421 1 252 . 1 . 1 42 42 ASP CA C 13 54.881 0.3 . 1 . . . . . 379 ASP CA . 51421 1 253 . 1 . 1 42 42 ASP CB C 13 40.679 0.3 . 1 . . . . . 379 ASP CB . 51421 1 254 . 1 . 1 42 42 ASP N N 15 122.91 0.3 . 1 . . . . . 379 ASP N . 51421 1 255 . 1 . 1 43 43 SER H H 1 8.335 0.02 . 1 . . . . . 380 SER H . 51421 1 256 . 1 . 1 43 43 SER HA H 1 4.386 0.02 . 1 . . . . . 380 SER HA . 51421 1 257 . 1 . 1 43 43 SER HB2 H 1 3.869 0.02 . 1 . . . . . 380 SER HB2 . 51421 1 258 . 1 . 1 43 43 SER HB3 H 1 3.869 0.02 . 1 . . . . . 380 SER HB3 . 51421 1 259 . 1 . 1 43 43 SER C C 13 174.694 0.3 . 1 . . . . . 380 SER C . 51421 1 260 . 1 . 1 43 43 SER CA C 13 59.05 0.3 . 1 . . . . . 380 SER CA . 51421 1 261 . 1 . 1 43 43 SER CB C 13 63.535 0.3 . 1 . . . . . 380 SER CB . 51421 1 262 . 1 . 1 43 43 SER N N 15 116.216 0.3 . 1 . . . . . 380 SER N . 51421 1 263 . 1 . 1 44 44 ASP H H 1 8.432 0.02 . 1 . . . . . 381 ASP H . 51421 1 264 . 1 . 1 44 44 ASP HA H 1 4.616 0.02 . 1 . . . . . 381 ASP HA . 51421 1 265 . 1 . 1 44 44 ASP HB2 H 1 2.669 0.02 . 1 . . . . . 381 ASP HB2 . 51421 1 266 . 1 . 1 44 44 ASP HB3 H 1 2.669 0.02 . 1 . . . . . 381 ASP HB3 . 51421 1 267 . 1 . 1 44 44 ASP C C 13 176.549 0.3 . 1 . . . . . 381 ASP C . 51421 1 268 . 1 . 1 44 44 ASP CA C 13 54.646 0.3 . 1 . . . . . 381 ASP CA . 51421 1 269 . 1 . 1 44 44 ASP CB C 13 40.771 0.3 . 1 . . . . . 381 ASP CB . 51421 1 270 . 1 . 1 44 44 ASP N N 15 122.252 0.3 . 1 . . . . . 381 ASP N . 51421 1 271 . 1 . 1 45 45 ARG H H 1 8.185 0.02 . 1 . . . . . 382 ARG H . 51421 1 272 . 1 . 1 45 45 ARG HA H 1 4.294 0.02 . 1 . . . . . 382 ARG HA . 51421 1 273 . 1 . 1 45 45 ARG HB2 H 1 1.736 0.02 . 1 . . . . . 382 ARG HB2 . 51421 1 274 . 1 . 1 45 45 ARG HB3 H 1 1.736 0.02 . 1 . . . . . 382 ARG HB3 . 51421 1 275 . 1 . 1 45 45 ARG CA C 13 56.397 0.3 . 1 . . . . . 382 ARG CA . 51421 1 276 . 1 . 1 45 45 ARG CB C 13 30.641 0.3 . 1 . . . . . 382 ARG CB . 51421 1 277 . 1 . 1 45 45 ARG N N 15 121.178 0.3 . 1 . . . . . 382 ARG N . 51421 1 278 . 1 . 1 46 46 GLU H H 1 8.539 0.02 . 1 . . . . . 383 GLU H . 51421 1 279 . 1 . 1 46 46 GLU HA H 1 4.241 0.02 . 1 . . . . . 383 GLU HA . 51421 1 280 . 1 . 1 46 46 GLU C C 13 176.682 0.3 . 1 . . . . . 383 GLU C . 51421 1 281 . 1 . 1 46 46 GLU CA C 13 56.631 0.3 . 1 . . . . . 383 GLU CA . 51421 1 282 . 1 . 1 46 46 GLU CB C 13 29.841 0.3 . 1 . . . . . 383 GLU CB . 51421 1 283 . 1 . 1 46 46 GLU N N 15 121.872 0.3 . 1 . . . . . 383 GLU N . 51421 1 284 . 1 . 1 47 47 ALA H H 1 8.473 0.02 . 1 . . . . . 384 ALA H . 51421 1 285 . 1 . 1 47 47 ALA HA H 1 4.301 0.02 . 1 . . . . . 384 ALA HA . 51421 1 286 . 1 . 1 47 47 ALA HB1 H 1 1.404 0.02 . 1 . . . . . 384 ALA HB . 51421 1 287 . 1 . 1 47 47 ALA HB2 H 1 1.404 0.02 . 1 . . . . . 384 ALA HB . 51421 1 288 . 1 . 1 47 47 ALA HB3 H 1 1.404 0.02 . 1 . . . . . 384 ALA HB . 51421 1 289 . 1 . 1 47 47 ALA C C 13 178.364 0.3 . 1 . . . . . 384 ALA C . 51421 1 290 . 1 . 1 47 47 ALA CA C 13 52.957 0.3 . 1 . . . . . 384 ALA CA . 51421 1 291 . 1 . 1 47 47 ALA CB C 13 19.01 0.3 . 1 . . . . . 384 ALA CB . 51421 1 292 . 1 . 1 47 47 ALA N N 15 125.647 0.3 . 1 . . . . . 384 ALA N . 51421 1 293 . 1 . 1 48 48 GLY H H 1 8.572 0.02 . 1 . . . . . 385 GLY H . 51421 1 294 . 1 . 1 48 48 GLY HA2 H 1 3.993 0.02 . 1 . . . . . 385 GLY HA2 . 51421 1 295 . 1 . 1 48 48 GLY HA3 H 1 3.993 0.02 . 1 . . . . . 385 GLY HA3 . 51421 1 296 . 1 . 1 48 48 GLY C C 13 174.518 0.3 . 1 . . . . . 385 GLY C . 51421 1 297 . 1 . 1 48 48 GLY CA C 13 45.2 0.3 . 1 . . . . . 385 GLY CA . 51421 1 298 . 1 . 1 48 48 GLY N N 15 108.565 0.3 . 1 . . . . . 385 GLY N . 51421 1 299 . 1 . 1 49 49 THR H H 1 8.149 0.02 . 1 . . . . . 386 THR H . 51421 1 300 . 1 . 1 49 49 THR HA H 1 4.366 0.02 . 1 . . . . . 386 THR HA . 51421 1 301 . 1 . 1 49 49 THR HG21 H 1 1.175 0.02 . 1 . . . . . 386 THR HG2 . 51421 1 302 . 1 . 1 49 49 THR HG22 H 1 1.175 0.02 . 1 . . . . . 386 THR HG2 . 51421 1 303 . 1 . 1 49 49 THR HG23 H 1 1.175 0.02 . 1 . . . . . 386 THR HG2 . 51421 1 304 . 1 . 1 49 49 THR C C 13 174.812 0.3 . 1 . . . . . 386 THR C . 51421 1 305 . 1 . 1 49 49 THR CA C 13 61.928 0.3 . 1 . . . . . 386 THR CA . 51421 1 306 . 1 . 1 49 49 THR CB C 13 69.653 0.3 . 1 . . . . . 386 THR CB . 51421 1 307 . 1 . 1 49 49 THR N N 15 113.293 0.3 . 1 . . . . . 386 THR N . 51421 1 308 . 1 . 1 50 50 GLU H H 1 8.643 0.02 . 1 . . . . . 387 GLU H . 51421 1 309 . 1 . 1 50 50 GLU HA H 1 4.407 0.02 . 1 . . . . . 387 GLU HA . 51421 1 310 . 1 . 1 50 50 GLU HB2 H 1 2.158 0.02 . 1 . . . . . 387 GLU HB2 . 51421 1 311 . 1 . 1 50 50 GLU HB3 H 1 2.158 0.02 . 1 . . . . . 387 GLU HB3 . 51421 1 312 . 1 . 1 50 50 GLU C C 13 176.904 0.3 . 1 . . . . . 387 GLU C . 51421 1 313 . 1 . 1 50 50 GLU CA C 13 56.659 0.3 . 1 . . . . . 387 GLU CA . 51421 1 314 . 1 . 1 50 50 GLU CB C 13 29.749 0.3 . 1 . . . . . 387 GLU CB . 51421 1 315 . 1 . 1 50 50 GLU N N 15 123.541 0.3 . 1 . . . . . 387 GLU N . 51421 1 316 . 1 . 1 51 51 THR H H 1 8.458 0.02 . 1 . . . . . 388 THR H . 51421 1 317 . 1 . 1 51 51 THR HA H 1 4.389 0.02 . 1 . . . . . 388 THR HA . 51421 1 318 . 1 . 1 51 51 THR HG21 H 1 1.231 0.02 . 1 . . . . . 388 THR HG2 . 51421 1 319 . 1 . 1 51 51 THR HG22 H 1 1.231 0.02 . 1 . . . . . 388 THR HG2 . 51421 1 320 . 1 . 1 51 51 THR HG23 H 1 1.231 0.02 . 1 . . . . . 388 THR HG2 . 51421 1 321 . 1 . 1 51 51 THR C C 13 175.369 0.3 . 1 . . . . . 388 THR C . 51421 1 322 . 1 . 1 51 51 THR CA C 13 61.958 0.3 . 1 . . . . . 388 THR CA . 51421 1 323 . 1 . 1 51 51 THR CB C 13 69.701 0.3 . 1 . . . . . 388 THR CB . 51421 1 324 . 1 . 1 51 51 THR N N 15 115.237 0.3 . 1 . . . . . 388 THR N . 51421 1 325 . 1 . 1 52 52 GLY H H 1 8.666 0.02 . 1 . . . . . 389 GLY H . 51421 1 326 . 1 . 1 52 52 GLY HA2 H 1 4.006 0.02 . 1 . . . . . 389 GLY HA2 . 51421 1 327 . 1 . 1 52 52 GLY HA3 H 1 4.006 0.02 . 1 . . . . . 389 GLY HA3 . 51421 1 328 . 1 . 1 52 52 GLY C C 13 174.771 0.3 . 1 . . . . . 389 GLY C . 51421 1 329 . 1 . 1 52 52 GLY CA C 13 45.388 0.3 . 1 . . . . . 389 GLY CA . 51421 1 330 . 1 . 1 52 52 GLY N N 15 111.8 0.3 . 1 . . . . . 389 GLY N . 51421 1 331 . 1 . 1 53 53 GLY H H 1 8.449 0.02 . 1 . . . . . 390 GLY H . 51421 1 332 . 1 . 1 53 53 GLY HA2 H 1 3.966 0.02 . 1 . . . . . 390 GLY HA2 . 51421 1 333 . 1 . 1 53 53 GLY HA3 H 1 3.966 0.02 . 1 . . . . . 390 GLY HA3 . 51421 1 334 . 1 . 1 53 53 GLY C C 13 174.349 0.3 . 1 . . . . . 390 GLY C . 51421 1 335 . 1 . 1 53 53 GLY CA C 13 44.966 0.3 . 1 . . . . . 390 GLY CA . 51421 1 336 . 1 . 1 53 53 GLY N N 15 109.128 0.3 . 1 . . . . . 390 GLY N . 51421 1 337 . 1 . 1 54 54 GLU H H 1 8.611 0.02 . 1 . . . . . 391 GLU H . 51421 1 338 . 1 . 1 54 54 GLU HA H 1 4.27 0.02 . 1 . . . . . 391 GLU HA . 51421 1 339 . 1 . 1 54 54 GLU HB2 H 1 1.976 0.02 . 1 . . . . . 391 GLU HB2 . 51421 1 340 . 1 . 1 54 54 GLU HB3 H 1 1.976 0.02 . 1 . . . . . 391 GLU HB3 . 51421 1 341 . 1 . 1 54 54 GLU C C 13 176.476 0.3 . 1 . . . . . 391 GLU C . 51421 1 342 . 1 . 1 54 54 GLU CA C 13 56.715 0.3 . 1 . . . . . 391 GLU CA . 51421 1 343 . 1 . 1 54 54 GLU CB C 13 29.809 0.3 . 1 . . . . . 391 GLU CB . 51421 1 344 . 1 . 1 54 54 GLU N N 15 120.654 0.3 . 1 . . . . . 391 GLU N . 51421 1 345 . 1 . 1 55 55 ASN H H 1 8.686 0.02 . 1 . . . . . 392 ASN H . 51421 1 346 . 1 . 1 55 55 ASN HA H 1 4.714 0.02 . 1 . . . . . 392 ASN HA . 51421 1 347 . 1 . 1 55 55 ASN HB2 H 1 2.749 0.02 . 1 . . . . . 392 ASN HB2 . 51421 1 348 . 1 . 1 55 55 ASN HB3 H 1 2.749 0.02 . 1 . . . . . 392 ASN HB3 . 51421 1 349 . 1 . 1 55 55 ASN C C 13 175 0.3 . 1 . . . . . 392 ASN C . 51421 1 350 . 1 . 1 55 55 ASN CA C 13 53.274 0.3 . 1 . . . . . 392 ASN CA . 51421 1 351 . 1 . 1 55 55 ASN CB C 13 38.768 0.3 . 1 . . . . . 392 ASN CB . 51421 1 352 . 1 . 1 55 55 ASN N N 15 119.582 0.3 . 1 . . . . . 392 ASN N . 51421 1 353 . 1 . 1 56 56 ASN H H 1 8.556 0.02 . 1 . . . . . 393 ASN H . 51421 1 354 . 1 . 1 56 56 ASN HA H 1 4.751 0.02 . 1 . . . . . 393 ASN HA . 51421 1 355 . 1 . 1 56 56 ASN HB2 H 1 2.746 0.02 . 1 . . . . . 393 ASN HB2 . 51421 1 356 . 1 . 1 56 56 ASN HB3 H 1 2.746 0.02 . 1 . . . . . 393 ASN HB3 . 51421 1 357 . 1 . 1 56 56 ASN C C 13 175.113 0.3 . 1 . . . . . 393 ASN C . 51421 1 358 . 1 . 1 56 56 ASN CA C 13 53.297 0.3 . 1 . . . . . 393 ASN CA . 51421 1 359 . 1 . 1 56 56 ASN CB C 13 38.708 0.3 . 1 . . . . . 393 ASN CB . 51421 1 360 . 1 . 1 56 56 ASN N N 15 120.055 0.3 . 1 . . . . . 393 ASN N . 51421 1 361 . 1 . 1 57 57 ASP H H 1 8.487 0.02 . 1 . . . . . 394 ASP H . 51421 1 362 . 1 . 1 57 57 ASP HA H 1 4.565 0.02 . 1 . . . . . 394 ASP HA . 51421 1 363 . 1 . 1 57 57 ASP HB2 H 1 2.644 0.02 . 1 . . . . . 394 ASP HB2 . 51421 1 364 . 1 . 1 57 57 ASP HB3 H 1 2.644 0.02 . 1 . . . . . 394 ASP HB3 . 51421 1 365 . 1 . 1 57 57 ASP C C 13 176.511 0.3 . 1 . . . . . 394 ASP C . 51421 1 366 . 1 . 1 57 57 ASP CA C 13 54.703 0.3 . 1 . . . . . 394 ASP CA . 51421 1 367 . 1 . 1 57 57 ASP CB C 13 40.659 0.3 . 1 . . . . . 394 ASP CB . 51421 1 368 . 1 . 1 57 57 ASP N N 15 121.046 0.3 . 1 . . . . . 394 ASP N . 51421 1 369 . 1 . 1 58 58 LYS H H 1 8.314 0.02 . 1 . . . . . 395 LYS H . 51421 1 370 . 1 . 1 58 58 LYS HA H 1 4.245 0.02 . 1 . . . . . 395 LYS HA . 51421 1 371 . 1 . 1 58 58 LYS HB2 H 1 1.742 0.02 . 1 . . . . . 395 LYS HB2 . 51421 1 372 . 1 . 1 58 58 LYS HB3 H 1 1.742 0.02 . 1 . . . . . 395 LYS HB3 . 51421 1 373 . 1 . 1 58 58 LYS CA C 13 56.233 0.3 . 1 . . . . . 395 LYS CA . 51421 1 374 . 1 . 1 58 58 LYS CB C 13 32.744 0.3 . 1 . . . . . 395 LYS CB . 51421 1 375 . 1 . 1 58 58 LYS N N 15 121.496 0.3 . 1 . . . . . 395 LYS N . 51421 1 376 . 1 . 1 59 59 GLU H H 1 8.537 0.02 . 1 . . . . . 396 GLU H . 51421 1 377 . 1 . 1 59 59 GLU HA H 1 4.243 0.02 . 1 . . . . . 396 GLU HA . 51421 1 378 . 1 . 1 59 59 GLU HB2 H 1 2.132 0.02 . 1 . . . . . 396 GLU HB2 . 51421 1 379 . 1 . 1 59 59 GLU HB3 H 1 2.132 0.02 . 1 . . . . . 396 GLU HB3 . 51421 1 380 . 1 . 1 59 59 GLU CA C 13 56.549 0.3 . 1 . . . . . 396 GLU CA . 51421 1 381 . 1 . 1 59 59 GLU CB C 13 30.103 0.3 . 1 . . . . . 396 GLU CB . 51421 1 382 . 1 . 1 59 59 GLU N N 15 122.401 0.3 . 1 . . . . . 396 GLU N . 51421 1 383 . 1 . 1 60 60 GLU H H 1 8.537 0.02 . 1 . . . . . 397 GLU H . 51421 1 384 . 1 . 1 60 60 GLU HA H 1 4.21 0.02 . 1 . . . . . 397 GLU HA . 51421 1 385 . 1 . 1 60 60 GLU CA C 13 56.69 0.3 . 1 . . . . . 397 GLU CA . 51421 1 386 . 1 . 1 60 60 GLU CB C 13 30.031 0.3 . 1 . . . . . 397 GLU CB . 51421 1 387 . 1 . 1 60 60 GLU N N 15 122.055 0.3 . 1 . . . . . 397 GLU N . 51421 1 388 . 1 . 1 61 61 GLU H H 1 8.534 0.02 . 1 . . . . . 398 GLU H . 51421 1 389 . 1 . 1 61 61 GLU HA H 1 4.206 0.02 . 1 . . . . . 398 GLU HA . 51421 1 390 . 1 . 1 61 61 GLU CA C 13 56.633 0.3 . 1 . . . . . 398 GLU CA . 51421 1 391 . 1 . 1 61 61 GLU CB C 13 30.035 0.3 . 1 . . . . . 398 GLU CB . 51421 1 392 . 1 . 1 61 61 GLU N N 15 122.534 0.3 . 1 . . . . . 398 GLU N . 51421 1 393 . 1 . 1 62 62 GLU H H 1 8.575 0.02 . 1 . . . . . 399 GLU H . 51421 1 394 . 1 . 1 62 62 GLU HA H 1 4.233 0.02 . 1 . . . . . 399 GLU HA . 51421 1 395 . 1 . 1 62 62 GLU CA C 13 56.795 0.3 . 1 . . . . . 399 GLU CA . 51421 1 396 . 1 . 1 62 62 GLU CB C 13 30.021 0.3 . 1 . . . . . 399 GLU CB . 51421 1 397 . 1 . 1 62 62 GLU N N 15 122.724 0.3 . 1 . . . . . 399 GLU N . 51421 1 398 . 1 . 1 63 63 LYS H H 1 8.514 0.02 . 1 . . . . . 400 LYS H . 51421 1 399 . 1 . 1 63 63 LYS HA H 1 4.294 0.02 . 1 . . . . . 400 LYS HA . 51421 1 400 . 1 . 1 63 63 LYS CA C 13 56.249 0.3 . 1 . . . . . 400 LYS CA . 51421 1 401 . 1 . 1 63 63 LYS CB C 13 32.784 0.3 . 1 . . . . . 400 LYS CB . 51421 1 402 . 1 . 1 63 63 LYS N N 15 123.806 0.3 . 1 . . . . . 400 LYS N . 51421 1 403 . 1 . 1 64 64 LYS H H 1 8.52 0.02 . 1 . . . . . 401 LYS H . 51421 1 404 . 1 . 1 64 64 LYS HA H 1 4.3 0.02 . 1 . . . . . 401 LYS HA . 51421 1 405 . 1 . 1 64 64 LYS CA C 13 56.251 0.3 . 1 . . . . . 401 LYS CA . 51421 1 406 . 1 . 1 64 64 LYS CB C 13 32.917 0.3 . 1 . . . . . 401 LYS CB . 51421 1 407 . 1 . 1 64 64 LYS N N 15 123.783 0.3 . 1 . . . . . 401 LYS N . 51421 1 408 . 1 . 1 65 65 ASP H H 1 8.558 0.02 . 1 . . . . . 402 ASP H . 51421 1 409 . 1 . 1 65 65 ASP HA H 1 4.648 0.02 . 1 . . . . . 402 ASP HA . 51421 1 410 . 1 . 1 65 65 ASP C C 13 176.635 0.3 . 1 . . . . . 402 ASP C . 51421 1 411 . 1 . 1 65 65 ASP CA C 13 54.467 0.3 . 1 . . . . . 402 ASP CA . 51421 1 412 . 1 . 1 65 65 ASP CB C 13 40.811 0.3 . 1 . . . . . 402 ASP CB . 51421 1 413 . 1 . 1 65 65 ASP N N 15 121.934 0.3 . 1 . . . . . 402 ASP N . 51421 1 414 . 1 . 1 66 66 GLU H H 1 8.687 0.02 . 1 . . . . . 403 GLU H . 51421 1 415 . 1 . 1 66 66 GLU HA H 1 4.378 0.02 . 1 . . . . . 403 GLU HA . 51421 1 416 . 1 . 1 66 66 GLU HB2 H 1 2.164 0.02 . 1 . . . . . 403 GLU HB2 . 51421 1 417 . 1 . 1 66 66 GLU HB3 H 1 2.164 0.02 . 1 . . . . . 403 GLU HB3 . 51421 1 418 . 1 . 1 66 66 GLU C C 13 177.069 0.3 . 1 . . . . . 403 GLU C . 51421 1 419 . 1 . 1 66 66 GLU CA C 13 56.771 0.3 . 1 . . . . . 403 GLU CA . 51421 1 420 . 1 . 1 66 66 GLU CB C 13 29.922 0.3 . 1 . . . . . 403 GLU CB . 51421 1 421 . 1 . 1 66 66 GLU N N 15 122.56 0.3 . 1 . . . . . 403 GLU N . 51421 1 422 . 1 . 1 67 67 THR H H 1 8.46 0.02 . 1 . . . . . 404 THR H . 51421 1 423 . 1 . 1 67 67 THR HA H 1 4.356 0.02 . 1 . . . . . 404 THR HA . 51421 1 424 . 1 . 1 67 67 THR C C 13 174.887 0.3 . 1 . . . . . 404 THR C . 51421 1 425 . 1 . 1 67 67 THR CA C 13 62.499 0.3 . 1 . . . . . 404 THR CA . 51421 1 426 . 1 . 1 67 67 THR CB C 13 69.67 0.3 . 1 . . . . . 404 THR CB . 51421 1 427 . 1 . 1 67 67 THR N N 15 114.985 0.3 . 1 . . . . . 404 THR N . 51421 1 428 . 1 . 1 68 68 SER H H 1 8.468 0.02 . 1 . . . . . 405 SER H . 51421 1 429 . 1 . 1 68 68 SER HA H 1 4.461 0.02 . 1 . . . . . 405 SER HA . 51421 1 430 . 1 . 1 68 68 SER CA C 13 58.587 0.3 . 1 . . . . . 405 SER CA . 51421 1 431 . 1 . 1 68 68 SER CB C 13 63.63 0.3 . 1 . . . . . 405 SER CB . 51421 1 432 . 1 . 1 68 68 SER N N 15 118.315 0.3 . 1 . . . . . 405 SER N . 51421 1 433 . 1 . 1 69 69 SER H H 1 8.549 0.02 . 1 . . . . . 406 SER H . 51421 1 434 . 1 . 1 69 69 SER HA H 1 4.491 0.02 . 1 . . . . . 406 SER HA . 51421 1 435 . 1 . 1 69 69 SER CA C 13 58.632 0.3 . 1 . . . . . 406 SER CA . 51421 1 436 . 1 . 1 69 69 SER CB C 13 63.581 0.3 . 1 . . . . . 406 SER CB . 51421 1 437 . 1 . 1 69 69 SER N N 15 118.185 0.3 . 1 . . . . . 406 SER N . 51421 1 438 . 1 . 1 70 70 SER H H 1 8.477 0.02 . 1 . . . . . 407 SER H . 51421 1 439 . 1 . 1 70 70 SER HA H 1 4.46 0.02 . 1 . . . . . 407 SER HA . 51421 1 440 . 1 . 1 70 70 SER CA C 13 58.62 0.3 . 1 . . . . . 407 SER CA . 51421 1 441 . 1 . 1 70 70 SER CB C 13 63.565 0.3 . 1 . . . . . 407 SER CB . 51421 1 442 . 1 . 1 70 70 SER N N 15 118.08 0.3 . 1 . . . . . 407 SER N . 51421 1 443 . 1 . 1 71 71 SER H H 1 8.464 0.02 . 1 . . . . . 408 SER H . 51421 1 444 . 1 . 1 71 71 SER HA H 1 4.454 0.02 . 1 . . . . . 408 SER HA . 51421 1 445 . 1 . 1 71 71 SER CA C 13 58.627 0.3 . 1 . . . . . 408 SER CA . 51421 1 446 . 1 . 1 71 71 SER CB C 13 63.552 0.3 . 1 . . . . . 408 SER CB . 51421 1 447 . 1 . 1 71 71 SER N N 15 118.363 0.3 . 1 . . . . . 408 SER N . 51421 1 448 . 1 . 1 72 72 GLU H H 1 8.499 0.02 . 1 . . . . . 409 GLU H . 51421 1 449 . 1 . 1 72 72 GLU HA H 1 4.25 0.02 . 1 . . . . . 409 GLU HA . 51421 1 450 . 1 . 1 72 72 GLU C C 13 176.992 0.3 . 1 . . . . . 409 GLU C . 51421 1 451 . 1 . 1 72 72 GLU CA C 13 57.097 0.3 . 1 . . . . . 409 GLU CA . 51421 1 452 . 1 . 1 72 72 GLU CB C 13 29.881 0.3 . 1 . . . . . 409 GLU CB . 51421 1 453 . 1 . 1 72 72 GLU N N 15 123.012 0.3 . 1 . . . . . 409 GLU N . 51421 1 454 . 1 . 1 73 73 ALA H H 1 8.371 0.02 . 1 . . . . . 410 ALA H . 51421 1 455 . 1 . 1 73 73 ALA HA H 1 4.216 0.02 . 1 . . . . . 410 ALA HA . 51421 1 456 . 1 . 1 73 73 ALA HB1 H 1 1.359 0.02 . 1 . . . . . 410 ALA HB . 51421 1 457 . 1 . 1 73 73 ALA HB2 H 1 1.359 0.02 . 1 . . . . . 410 ALA HB . 51421 1 458 . 1 . 1 73 73 ALA HB3 H 1 1.359 0.02 . 1 . . . . . 410 ALA HB . 51421 1 459 . 1 . 1 73 73 ALA C C 13 178.308 0.3 . 1 . . . . . 410 ALA C . 51421 1 460 . 1 . 1 73 73 ALA CA C 13 53.392 0.3 . 1 . . . . . 410 ALA CA . 51421 1 461 . 1 . 1 73 73 ALA CB C 13 18.733 0.3 . 1 . . . . . 410 ALA CB . 51421 1 462 . 1 . 1 73 73 ALA N N 15 124.317 0.3 . 1 . . . . . 410 ALA N . 51421 1 463 . 1 . 1 74 74 ASN H H 1 8.406 0.02 . 1 . . . . . 411 ASN H . 51421 1 464 . 1 . 1 74 74 ASN HA H 1 4.708 0.02 . 1 . . . . . 411 ASN HA . 51421 1 465 . 1 . 1 74 74 ASN HB2 H 1 2.774 0.02 . 1 . . . . . 411 ASN HB2 . 51421 1 466 . 1 . 1 74 74 ASN HB3 H 1 2.774 0.02 . 1 . . . . . 411 ASN HB3 . 51421 1 467 . 1 . 1 74 74 ASN C C 13 175.695 0.3 . 1 . . . . . 411 ASN C . 51421 1 468 . 1 . 1 74 74 ASN CA C 13 53.592 0.3 . 1 . . . . . 411 ASN CA . 51421 1 469 . 1 . 1 74 74 ASN CB C 13 38.606 0.3 . 1 . . . . . 411 ASN CB . 51421 1 470 . 1 . 1 74 74 ASN N N 15 117.165 0.3 . 1 . . . . . 411 ASN N . 51421 1 471 . 1 . 1 75 75 SER H H 1 8.267 0.02 . 1 . . . . . 412 SER H . 51421 1 472 . 1 . 1 75 75 SER HA H 1 4.412 0.02 . 1 . . . . . 412 SER HA . 51421 1 473 . 1 . 1 75 75 SER CA C 13 58.951 0.3 . 1 . . . . . 412 SER CA . 51421 1 474 . 1 . 1 75 75 SER CB C 13 63.462 0.3 . 1 . . . . . 412 SER CB . 51421 1 475 . 1 . 1 75 75 SER N N 15 116.12 0.3 . 1 . . . . . 412 SER N . 51421 1 476 . 1 . 1 76 76 ARG H H 1 8.343 0.02 . 1 . . . . . 413 ARG H . 51421 1 477 . 1 . 1 76 76 ARG HA H 1 4.373 0.02 . 1 . . . . . 413 ARG HA . 51421 1 478 . 1 . 1 76 76 ARG CA C 13 56.365 0.3 . 1 . . . . . 413 ARG CA . 51421 1 479 . 1 . 1 76 76 ARG CB C 13 30.225 0.3 . 1 . . . . . 413 ARG CB . 51421 1 480 . 1 . 1 76 76 ARG N N 15 122.443 0.3 . 1 . . . . . 413 ARG N . 51421 1 481 . 1 . 1 77 77 CYS H H 1 8.366 0.02 . 1 . . . . . 414 CYS H . 51421 1 482 . 1 . 1 77 77 CYS HA H 1 4.47 0.02 . 1 . . . . . 414 CYS HA . 51421 1 483 . 1 . 1 77 77 CYS CA C 13 58.731 0.3 . 1 . . . . . 414 CYS CA . 51421 1 484 . 1 . 1 77 77 CYS N N 15 119.973 0.3 . 1 . . . . . 414 CYS N . 51421 1 485 . 1 . 1 78 78 GLN H H 1 8.654 0.02 . 1 . . . . . 415 GLN H . 51421 1 486 . 1 . 1 78 78 GLN HA H 1 4.394 0.02 . 1 . . . . . 415 GLN HA . 51421 1 487 . 1 . 1 78 78 GLN C C 13 175.898 0.3 . 1 . . . . . 415 GLN C . 51421 1 488 . 1 . 1 78 78 GLN CA C 13 55.771 0.3 . 1 . . . . . 415 GLN CA . 51421 1 489 . 1 . 1 78 78 GLN CB C 13 29.393 0.3 . 1 . . . . . 415 GLN CB . 51421 1 490 . 1 . 1 78 78 GLN N N 15 123.417 0.3 . 1 . . . . . 415 GLN N . 51421 1 491 . 1 . 1 79 79 THR H H 1 8.39 0.02 . 1 . . . . . 416 THR H . 51421 1 492 . 1 . 1 79 79 THR HA H 1 4.565 0.02 . 1 . . . . . 416 THR HA . 51421 1 493 . 1 . 1 79 79 THR HG21 H 1 1.239 0.02 . 1 . . . . . 416 THR HG2 . 51421 1 494 . 1 . 1 79 79 THR HG22 H 1 1.239 0.02 . 1 . . . . . 416 THR HG2 . 51421 1 495 . 1 . 1 79 79 THR HG23 H 1 1.239 0.02 . 1 . . . . . 416 THR HG2 . 51421 1 496 . 1 . 1 79 79 THR CA C 13 60.109 0.3 . 1 . . . . . 416 THR CA . 51421 1 497 . 1 . 1 79 79 THR CB C 13 69.408 0.3 . 1 . . . . . 416 THR CB . 51421 1 498 . 1 . 1 79 79 THR N N 15 119.194 0.3 . 1 . . . . . 416 THR N . 51421 1 499 . 1 . 1 80 80 PRO HA H 1 4.442 0.02 . 1 . . . . . 417 PRO HA . 51421 1 500 . 1 . 1 80 80 PRO C C 13 176.816 0.3 . 1 . . . . . 417 PRO C . 51421 1 501 . 1 . 1 80 80 PRO CA C 13 63.121 0.3 . 1 . . . . . 417 PRO CA . 51421 1 502 . 1 . 1 80 80 PRO CB C 13 32.175 0.3 . 1 . . . . . 417 PRO CB . 51421 1 503 . 1 . 1 80 80 PRO N N 15 139.252 0.3 . 1 . . . . . 417 PRO N . 51421 1 504 . 1 . 1 81 81 ILE H H 1 8.456 0.02 . 1 . . . . . 418 ILE H . 51421 1 505 . 1 . 1 81 81 ILE HA H 1 4.09 0.02 . 1 . . . . . 418 ILE HA . 51421 1 506 . 1 . 1 81 81 ILE HB H 1 1.77 0.02 . 1 . . . . . 418 ILE HB . 51421 1 507 . 1 . 1 81 81 ILE HG21 H 1 0.89 0.02 . 1 . . . . . 418 ILE HG2 . 51421 1 508 . 1 . 1 81 81 ILE HG22 H 1 0.89 0.02 . 1 . . . . . 418 ILE HG2 . 51421 1 509 . 1 . 1 81 81 ILE HG23 H 1 0.89 0.02 . 1 . . . . . 418 ILE HG2 . 51421 1 510 . 1 . 1 81 81 ILE C C 13 176.305 0.3 . 1 . . . . . 418 ILE C . 51421 1 511 . 1 . 1 81 81 ILE CA C 13 61.229 0.3 . 1 . . . . . 418 ILE CA . 51421 1 512 . 1 . 1 81 81 ILE CB C 13 38.539 0.3 . 1 . . . . . 418 ILE CB . 51421 1 513 . 1 . 1 81 81 ILE N N 15 122.39 0.3 . 1 . . . . . 418 ILE N . 51421 1 514 . 1 . 1 82 82 LYS H H 1 8.525 0.02 . 1 . . . . . 419 LYS H . 51421 1 515 . 1 . 1 82 82 LYS HA H 1 4.315 0.02 . 1 . . . . . 419 LYS HA . 51421 1 516 . 1 . 1 82 82 LYS HB2 H 1 1.685 0.02 . 1 . . . . . 419 LYS HB2 . 51421 1 517 . 1 . 1 82 82 LYS HB3 H 1 1.685 0.02 . 1 . . . . . 419 LYS HB3 . 51421 1 518 . 1 . 1 82 82 LYS C C 13 176.372 0.3 . 1 . . . . . 419 LYS C . 51421 1 519 . 1 . 1 82 82 LYS CA C 13 56.012 0.3 . 1 . . . . . 419 LYS CA . 51421 1 520 . 1 . 1 82 82 LYS CB C 13 32.991 0.3 . 1 . . . . . 419 LYS CB . 51421 1 521 . 1 . 1 82 82 LYS N N 15 126.534 0.3 . 1 . . . . . 419 LYS N . 51421 1 522 . 1 . 1 83 83 MET H H 1 8.563 0.02 . 1 . . . . . 420 MET H . 51421 1 523 . 1 . 1 83 83 MET HA H 1 4.452 0.02 . 1 . . . . . 420 MET HA . 51421 1 524 . 1 . 1 83 83 MET C C 13 175.993 0.3 . 1 . . . . . 420 MET C . 51421 1 525 . 1 . 1 83 83 MET CA C 13 55.126 0.3 . 1 . . . . . 420 MET CA . 51421 1 526 . 1 . 1 83 83 MET N N 15 123.234 0.3 . 1 . . . . . 420 MET N . 51421 1 527 . 1 . 1 84 84 LYS H H 1 8.548 0.02 . 1 . . . . . 421 LYS H . 51421 1 528 . 1 . 1 84 84 LYS HA H 1 4.611 0.02 . 1 . . . . . 421 LYS HA . 51421 1 529 . 1 . 1 84 84 LYS HB2 H 1 1.673 0.02 . 1 . . . . . 421 LYS HB2 . 51421 1 530 . 1 . 1 84 84 LYS HB3 H 1 1.673 0.02 . 1 . . . . . 421 LYS HB3 . 51421 1 531 . 1 . 1 84 84 LYS CA C 13 54.252 0.3 . 1 . . . . . 421 LYS CA . 51421 1 532 . 1 . 1 84 84 LYS CB C 13 32.41 0.3 . 1 . . . . . 421 LYS CB . 51421 1 533 . 1 . 1 84 84 LYS N N 15 124.944 0.3 . 1 . . . . . 421 LYS N . 51421 1 534 . 1 . 1 85 85 PRO HA H 1 4.402 0.02 . 1 . . . . . 422 PRO HA . 51421 1 535 . 1 . 1 85 85 PRO CA C 13 63.038 0.3 . 1 . . . . . 422 PRO CA . 51421 1 536 . 1 . 1 85 85 PRO N N 15 136.652 0.3 . 1 . . . . . 422 PRO N . 51421 1 537 . 1 . 1 86 86 ASN HA H 1 4.662 0.02 . 1 . . . . . 423 ASN HA . 51421 1 538 . 1 . 1 86 86 ASN C C 13 174.931 0.3 . 1 . . . . . 423 ASN C . 51421 1 539 . 1 . 1 86 86 ASN CA C 13 53.361 0.3 . 1 . . . . . 423 ASN CA . 51421 1 540 . 1 . 1 86 86 ASN CB C 13 38.627 0.3 . 1 . . . . . 423 ASN CB . 51421 1 541 . 1 . 1 86 86 ASN N N 15 119.435 0.3 . 1 . . . . . 423 ASN N . 51421 1 542 . 1 . 1 87 87 ILE H H 1 8.236 0.02 . 1 . . . . . 424 ILE H . 51421 1 543 . 1 . 1 87 87 ILE HA H 1 4.205 0.02 . 1 . . . . . 424 ILE HA . 51421 1 544 . 1 . 1 87 87 ILE HB H 1 1.808 0.02 . 1 . . . . . 424 ILE HB . 51421 1 545 . 1 . 1 87 87 ILE HG21 H 1 0.871 0.02 . 1 . . . . . 424 ILE HG2 . 51421 1 546 . 1 . 1 87 87 ILE HG22 H 1 0.871 0.02 . 1 . . . . . 424 ILE HG2 . 51421 1 547 . 1 . 1 87 87 ILE HG23 H 1 0.871 0.02 . 1 . . . . . 424 ILE HG2 . 51421 1 548 . 1 . 1 87 87 ILE C C 13 176.081 0.3 . 1 . . . . . 424 ILE C . 51421 1 549 . 1 . 1 87 87 ILE CA C 13 60.655 0.3 . 1 . . . . . 424 ILE CA . 51421 1 550 . 1 . 1 87 87 ILE CB C 13 38.765 0.3 . 1 . . . . . 424 ILE CB . 51421 1 551 . 1 . 1 87 87 ILE N N 15 121.48 0.3 . 1 . . . . . 424 ILE N . 51421 1 552 . 1 . 1 88 88 GLU H H 1 8.619 0.02 . 1 . . . . . 425 GLU H . 51421 1 553 . 1 . 1 88 88 GLU HA H 1 4.56 0.02 . 1 . . . . . 425 GLU HA . 51421 1 554 . 1 . 1 88 88 GLU HB2 H 1 1.917 0.02 . 1 . . . . . 425 GLU HB2 . 51421 1 555 . 1 . 1 88 88 GLU HB3 H 1 1.917 0.02 . 1 . . . . . 425 GLU HB3 . 51421 1 556 . 1 . 1 88 88 GLU HG2 H 1 2.231 0.02 . 1 . . . . . 425 GLU HG2 . 51421 1 557 . 1 . 1 88 88 GLU HG3 H 1 2.231 0.02 . 1 . . . . . 425 GLU HG3 . 51421 1 558 . 1 . 1 88 88 GLU CA C 13 54.204 0.3 . 1 . . . . . 425 GLU CA . 51421 1 559 . 1 . 1 88 88 GLU CB C 13 29.312 0.3 . 1 . . . . . 425 GLU CB . 51421 1 560 . 1 . 1 88 88 GLU N N 15 127.351 0.3 . 1 . . . . . 425 GLU N . 51421 1 561 . 1 . 1 89 89 PRO HA H 1 4.673 0.02 . 1 . . . . . 426 PRO HA . 51421 1 562 . 1 . 1 89 89 PRO CA C 13 61.424 0.3 . 1 . . . . . 426 PRO CA . 51421 1 563 . 1 . 1 89 89 PRO N N 15 138.177 0.3 . 1 . . . . . 426 PRO N . 51421 1 564 . 1 . 1 90 90 PRO HA H 1 4.411 0.02 . 1 . . . . . 427 PRO HA . 51421 1 565 . 1 . 1 90 90 PRO C C 13 176.957 0.3 . 1 . . . . . 427 PRO C . 51421 1 566 . 1 . 1 90 90 PRO CA C 13 62.871 0.3 . 1 . . . . . 427 PRO CA . 51421 1 567 . 1 . 1 90 90 PRO CB C 13 32.025 0.3 . 1 . . . . . 427 PRO CB . 51421 1 568 . 1 . 1 90 90 PRO N N 15 135.38 0.3 . 1 . . . . . 427 PRO N . 51421 1 569 . 1 . 1 91 91 GLU H H 1 8.676 0.02 . 1 . . . . . 428 GLU H . 51421 1 570 . 1 . 1 91 91 GLU HA H 1 4.129 0.02 . 1 . . . . . 428 GLU HA . 51421 1 571 . 1 . 1 91 91 GLU HB2 H 1 1.937 0.02 . 1 . . . . . 428 GLU HB2 . 51421 1 572 . 1 . 1 91 91 GLU HB3 H 1 1.937 0.02 . 1 . . . . . 428 GLU HB3 . 51421 1 573 . 1 . 1 91 91 GLU HG2 H 1 2.176 0.02 . 1 . . . . . 428 GLU HG2 . 51421 1 574 . 1 . 1 91 91 GLU HG3 H 1 2.176 0.02 . 1 . . . . . 428 GLU HG3 . 51421 1 575 . 1 . 1 91 91 GLU C C 13 176.291 0.3 . 1 . . . . . 428 GLU C . 51421 1 576 . 1 . 1 91 91 GLU CA C 13 56.596 0.3 . 1 . . . . . 428 GLU CA . 51421 1 577 . 1 . 1 91 91 GLU CB C 13 30.041 0.3 . 1 . . . . . 428 GLU CB . 51421 1 578 . 1 . 1 91 91 GLU N N 15 120.881 0.3 . 1 . . . . . 428 GLU N . 51421 1 579 . 1 . 1 92 92 ASN H H 1 8.584 0.02 . 1 . . . . . 429 ASN H . 51421 1 580 . 1 . 1 92 92 ASN HA H 1 4.681 0.02 . 1 . . . . . 429 ASN HA . 51421 1 581 . 1 . 1 92 92 ASN HB2 H 1 2.727 0.02 . 1 . . . . . 429 ASN HB2 . 51421 1 582 . 1 . 1 92 92 ASN HB3 H 1 2.727 0.02 . 1 . . . . . 429 ASN HB3 . 51421 1 583 . 1 . 1 92 92 ASN C C 13 175.175 0.3 . 1 . . . . . 429 ASN C . 51421 1 584 . 1 . 1 92 92 ASN CA C 13 53.162 0.3 . 1 . . . . . 429 ASN CA . 51421 1 585 . 1 . 1 92 92 ASN CB C 13 38.611 0.3 . 1 . . . . . 429 ASN CB . 51421 1 586 . 1 . 1 92 92 ASN N N 15 120.238 0.3 . 1 . . . . . 429 ASN N . 51421 1 587 . 1 . 1 93 93 VAL H H 1 8.218 0.02 . 1 . . . . . 430 VAL H . 51421 1 588 . 1 . 1 93 93 VAL HA H 1 4.081 0.02 . 1 . . . . . 430 VAL HA . 51421 1 589 . 1 . 1 93 93 VAL HB H 1 2.017 0.02 . 1 . . . . . 430 VAL HB . 51421 1 590 . 1 . 1 93 93 VAL HG11 H 1 0.816 0.02 . 1 . . . . . 430 VAL HG11 . 51421 1 591 . 1 . 1 93 93 VAL HG12 H 1 0.816 0.02 . 1 . . . . . 430 VAL HG12 . 51421 1 592 . 1 . 1 93 93 VAL HG13 H 1 0.816 0.02 . 1 . . . . . 430 VAL HG13 . 51421 1 593 . 1 . 1 93 93 VAL C C 13 176.204 0.3 . 1 . . . . . 430 VAL C . 51421 1 594 . 1 . 1 93 93 VAL CA C 13 62.374 0.3 . 1 . . . . . 430 VAL CA . 51421 1 595 . 1 . 1 93 93 VAL CB C 13 32.65 0.3 . 1 . . . . . 430 VAL CB . 51421 1 596 . 1 . 1 93 93 VAL N N 15 120.941 0.3 . 1 . . . . . 430 VAL N . 51421 1 597 . 1 . 1 94 94 GLU H H 1 8.549 0.02 . 1 . . . . . 431 GLU H . 51421 1 598 . 1 . 1 94 94 GLU HA H 1 4.251 0.02 . 1 . . . . . 431 GLU HA . 51421 1 599 . 1 . 1 94 94 GLU HB2 H 1 1.919 0.02 . 1 . . . . . 431 GLU HB2 . 51421 1 600 . 1 . 1 94 94 GLU HB3 H 1 1.919 0.02 . 1 . . . . . 431 GLU HB3 . 51421 1 601 . 1 . 1 94 94 GLU C C 13 176.294 0.3 . 1 . . . . . 431 GLU C . 51421 1 602 . 1 . 1 94 94 GLU CA C 13 56.587 0.3 . 1 . . . . . 431 GLU CA . 51421 1 603 . 1 . 1 94 94 GLU CB C 13 29.899 0.3 . 1 . . . . . 431 GLU CB . 51421 1 604 . 1 . 1 94 94 GLU N N 15 124.471 0.3 . 1 . . . . . 431 GLU N . 51421 1 605 . 1 . 1 95 95 TRP H H 1 8.377 0.02 . 1 . . . . . 432 TRP H . 51421 1 606 . 1 . 1 95 95 TRP HA H 1 4.672 0.02 . 1 . . . . . 432 TRP HA . 51421 1 607 . 1 . 1 95 95 TRP HB2 H 1 3.242 0.02 . 1 . . . . . 432 TRP HB2 . 51421 1 608 . 1 . 1 95 95 TRP HB3 H 1 3.242 0.02 . 1 . . . . . 432 TRP HB3 . 51421 1 609 . 1 . 1 95 95 TRP C C 13 176.595 0.3 . 1 . . . . . 432 TRP C . 51421 1 610 . 1 . 1 95 95 TRP CA C 13 57.37 0.3 . 1 . . . . . 432 TRP CA . 51421 1 611 . 1 . 1 95 95 TRP CB C 13 29.353 0.3 . 1 . . . . . 432 TRP CB . 51421 1 612 . 1 . 1 95 95 TRP N N 15 122.999 0.3 . 1 . . . . . 432 TRP N . 51421 1 613 . 1 . 1 96 96 SER H H 1 8.249 0.02 . 1 . . . . . 433 SER H . 51421 1 614 . 1 . 1 96 96 SER HA H 1 4.275 0.02 . 1 . . . . . 433 SER HA . 51421 1 615 . 1 . 1 96 96 SER HB2 H 1 3.72 0.02 . 1 . . . . . 433 SER HB2 . 51421 1 616 . 1 . 1 96 96 SER HB3 H 1 3.72 0.02 . 1 . . . . . 433 SER HB3 . 51421 1 617 . 1 . 1 96 96 SER C C 13 174.699 0.3 . 1 . . . . . 433 SER C . 51421 1 618 . 1 . 1 96 96 SER CA C 13 58.392 0.3 . 1 . . . . . 433 SER CA . 51421 1 619 . 1 . 1 96 96 SER CB C 13 63.628 0.3 . 1 . . . . . 433 SER CB . 51421 1 620 . 1 . 1 96 96 SER N N 15 118.828 0.3 . 1 . . . . . 433 SER N . 51421 1 621 . 1 . 1 97 97 GLY H H 1 7.603 0.02 . 1 . . . . . 434 GLY H . 51421 1 622 . 1 . 1 97 97 GLY HA2 H 1 3.707 0.02 . 1 . . . . . 434 GLY HA2 . 51421 1 623 . 1 . 1 97 97 GLY HA3 H 1 3.707 0.02 . 1 . . . . . 434 GLY HA3 . 51421 1 624 . 1 . 1 97 97 GLY C C 13 173.865 0.3 . 1 . . . . . 434 GLY C . 51421 1 625 . 1 . 1 97 97 GLY CA C 13 45.202 0.3 . 1 . . . . . 434 GLY CA . 51421 1 626 . 1 . 1 97 97 GLY N N 15 110.338 0.3 . 1 . . . . . 434 GLY N . 51421 1 627 . 1 . 1 98 98 ALA H H 1 8.041 0.02 . 1 . . . . . 435 ALA H . 51421 1 628 . 1 . 1 98 98 ALA HA H 1 4.252 0.02 . 1 . . . . . 435 ALA HA . 51421 1 629 . 1 . 1 98 98 ALA HB1 H 1 1.349 0.02 . 1 . . . . . 435 ALA HB . 51421 1 630 . 1 . 1 98 98 ALA HB2 H 1 1.349 0.02 . 1 . . . . . 435 ALA HB . 51421 1 631 . 1 . 1 98 98 ALA HB3 H 1 1.349 0.02 . 1 . . . . . 435 ALA HB . 51421 1 632 . 1 . 1 98 98 ALA C C 13 178.045 0.3 . 1 . . . . . 435 ALA C . 51421 1 633 . 1 . 1 98 98 ALA CA C 13 52.702 0.3 . 1 . . . . . 435 ALA CA . 51421 1 634 . 1 . 1 98 98 ALA CB C 13 18.978 0.3 . 1 . . . . . 435 ALA CB . 51421 1 635 . 1 . 1 98 98 ALA N N 15 123.395 0.3 . 1 . . . . . 435 ALA N . 51421 1 stop_ save_