data_52468 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52468 _Entry.Title ; SY-tagged Tm1 I/C C-terminal Domain 13C 15N Fibril Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-17 _Entry.Accession_date 2024-05-17 _Entry.Last_release_date 2024-05-17 _Entry.Original_release_date 2024-05-17 _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 solid-state _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 Blake Fonda . D. . 0000-0003-4952-908X 52468 2 Masato Kato . . . . 52468 3 Yang Li . . . . 52468 4 Dylan Murray . T. . 0000-0002-2402-810X 52468 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California Davis' . 52468 2 . 'University of Texas Southwestern Medical Center' . 52468 3 . 'University of Connecticut' . 52468 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52468 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 168 52468 '15N chemical shifts' 28 52468 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 . . 2024-08-15 . original BMRB . 52468 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52468 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38853912 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cryo-EM and Solid State NMR Together Provide a More Comprehensive Structural Investigation of Protein Fibrils ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2692-8205 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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 Blake Fonda . D. . . 52468 1 2 Masato Kato . . . . 52468 1 3 Yang Li . . . . 52468 1 4 Dylan Murray . T. . . 52468 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52468 _Assembly.ID 1 _Assembly.Name 'SY-Tm1 I/C C-terminal Domain Fibrils' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tm1 I/C C-terminal Domain' 1 $entity_1 . . yes native no no . . . 52468 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52468 _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 ; SYSSIKLSNNNNNSNSNNIE ISKSESCNASDIGGTNNNNA SRTIASAAVGEETSTLSSTS HEHNNNPNNDT ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal tail' _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 1 371 SER . 52468 1 2 372 TYR . 52468 1 3 373 SER . 52468 1 4 374 SER . 52468 1 5 375 ILE . 52468 1 6 376 LYS . 52468 1 7 377 LEU . 52468 1 8 378 SER . 52468 1 9 379 ASN . 52468 1 10 380 ASN . 52468 1 11 381 ASN . 52468 1 12 382 ASN . 52468 1 13 383 ASN . 52468 1 14 384 SER . 52468 1 15 385 ASN . 52468 1 16 386 SER . 52468 1 17 387 ASN . 52468 1 18 388 ASN . 52468 1 19 389 ILE . 52468 1 20 390 GLU . 52468 1 21 391 ILE . 52468 1 22 392 SER . 52468 1 23 393 LYS . 52468 1 24 394 SER . 52468 1 25 395 GLU . 52468 1 26 396 SER . 52468 1 27 397 CYS . 52468 1 28 398 ASN . 52468 1 29 399 ALA . 52468 1 30 400 SER . 52468 1 31 401 ASP . 52468 1 32 402 ILE . 52468 1 33 403 GLY . 52468 1 34 404 GLY . 52468 1 35 405 THR . 52468 1 36 406 ASN . 52468 1 37 407 ASN . 52468 1 38 408 ASN . 52468 1 39 409 ASN . 52468 1 40 410 ALA . 52468 1 41 411 SER . 52468 1 42 412 ARG . 52468 1 43 413 THR . 52468 1 44 414 ILE . 52468 1 45 415 ALA . 52468 1 46 416 SER . 52468 1 47 417 ALA . 52468 1 48 418 ALA . 52468 1 49 419 VAL . 52468 1 50 420 GLY . 52468 1 51 421 GLU . 52468 1 52 422 GLU . 52468 1 53 423 THR . 52468 1 54 424 SER . 52468 1 55 425 THR . 52468 1 56 426 LEU . 52468 1 57 427 SER . 52468 1 58 428 SER . 52468 1 59 429 THR . 52468 1 60 430 SER . 52468 1 61 431 HIS . 52468 1 62 432 GLU . 52468 1 63 433 HIS . 52468 1 64 434 ASN . 52468 1 65 435 ASN . 52468 1 66 436 ASN . 52468 1 67 437 PRO . 52468 1 68 438 ASN . 52468 1 69 439 ASN . 52468 1 70 440 ASP . 52468 1 71 441 THR . 52468 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 . SER 1 1 52468 1 . TYR 2 2 52468 1 . SER 3 3 52468 1 . SER 4 4 52468 1 . ILE 5 5 52468 1 . LYS 6 6 52468 1 . LEU 7 7 52468 1 . SER 8 8 52468 1 . ASN 9 9 52468 1 . ASN 10 10 52468 1 . ASN 11 11 52468 1 . ASN 12 12 52468 1 . ASN 13 13 52468 1 . SER 14 14 52468 1 . ASN 15 15 52468 1 . SER 16 16 52468 1 . ASN 17 17 52468 1 . ASN 18 18 52468 1 . ILE 19 19 52468 1 . GLU 20 20 52468 1 . ILE 21 21 52468 1 . SER 22 22 52468 1 . LYS 23 23 52468 1 . SER 24 24 52468 1 . GLU 25 25 52468 1 . SER 26 26 52468 1 . CYS 27 27 52468 1 . ASN 28 28 52468 1 . ALA 29 29 52468 1 . SER 30 30 52468 1 . ASP 31 31 52468 1 . ILE 32 32 52468 1 . GLY 33 33 52468 1 . GLY 34 34 52468 1 . THR 35 35 52468 1 . ASN 36 36 52468 1 . ASN 37 37 52468 1 . ASN 38 38 52468 1 . ASN 39 39 52468 1 . ALA 40 40 52468 1 . SER 41 41 52468 1 . ARG 42 42 52468 1 . THR 43 43 52468 1 . ILE 44 44 52468 1 . ALA 45 45 52468 1 . SER 46 46 52468 1 . ALA 47 47 52468 1 . ALA 48 48 52468 1 . VAL 49 49 52468 1 . GLY 50 50 52468 1 . GLU 51 51 52468 1 . GLU 52 52 52468 1 . THR 53 53 52468 1 . SER 54 54 52468 1 . THR 55 55 52468 1 . LEU 56 56 52468 1 . SER 57 57 52468 1 . SER 58 58 52468 1 . THR 59 59 52468 1 . SER 60 60 52468 1 . HIS 61 61 52468 1 . GLU 62 62 52468 1 . HIS 63 63 52468 1 . ASN 64 64 52468 1 . ASN 65 65 52468 1 . ASN 66 66 52468 1 . PRO 67 67 52468 1 . ASN 68 68 52468 1 . ASN 69 69 52468 1 . ASP 70 70 52468 1 . THR 71 71 52468 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 52468 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52468 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 52468 _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 . . pHis-parellel1-GFP . . . 52468 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52468 _Sample.ID 1 _Sample.Name 'Tropomyosin I/C Tail-Domain' _Sample.Type solid _Sample.Sub_type . _Sample.Details '20 mM Tris HCl pH 7.5, 200 mM NaCl, 0.5 mM EDTA, 0.1 mM PMSF, 20 mM BME, 0.02% Na-Azide' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system H2O _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 'Tropomyosin I/C Tail-Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 52468 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 52468 1 3 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 52468 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52468 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 52468 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52468 1 7 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 52468 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 52468 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SY-Tm1 I/C Fibril Sample' _Sample_condition_list.Details '3.2 mm pencil style zirconia rotor (revolution NMR)' 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 7.5 . pH 52468 1 temperature 283 . K 52468 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52468 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 10.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52468 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52468 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details 'With sparky version 3.190' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52468 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52468 _Software.ID 3 _Software.Type . _Software.Name MCASSIGN _Software.Version 2b _Software.DOI . _Software.Details 'DOI: 10.1007/s10858-011-9517-1' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52468 3 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 52468 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Bruker Avance III' _NMR_spectrometer.Details 'A BlackFox ssNMR Probe is used.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52468 _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 13C-13C DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 1 2 '2D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 1 3 '2D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 1 4 '2D 13C/13C INEPT-TOBSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52468 1 5 '3D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 1 6 '3D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 1 7 '3D CANCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '50ms DARR mixing' 52468 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 52468 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Sample Reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 '1-13C Ala' 'Carbonyl Carbon' . . . . MHz 179.8 external direct 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 52468 1 N 15 '1-13C Ala' 'Carbonyl Carbon' . . . . MHz 179.8 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 52468 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 52468 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SY-Tm1 I/C C-terminal Domain Fibril Assignments' _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 13C-13C DARR' . . . 52468 1 2 '2D NCACX' . . . 52468 1 3 '2D NCOCX' . . . 52468 1 4 '2D 13C/13C INEPT-TOBSY' . . . 52468 1 5 '3D NCOCX' . . . 52468 1 6 '3D NCACX' . . . 52468 1 7 '3D CANCO' . . . 52468 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 . . 52468 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 1 1 SER C C 13 172.86 . . 1 . . . . . 371 S C . 52468 1 2 . 1 . 1 1 1 SER CA C 13 55.619 . . 1 . . . . . 371 S CA . 52468 1 3 . 1 . 1 1 1 SER CB C 13 66.29 . . 1 . . . . . 371 S CB . 52468 1 4 . 1 . 1 1 1 SER N N 15 117.996 . . 1 . . . . . 371 S N . 52468 1 5 . 1 . 1 2 2 TYR C C 13 176.368 . . 1 . . . . . 372 Y C . 52468 1 6 . 1 . 1 2 2 TYR CA C 13 54.121 . . 1 . . . . . 372 Y CA . 52468 1 7 . 1 . 1 2 2 TYR CB C 13 41.045 . . 1 . . . . . 372 Y CB . 52468 1 8 . 1 . 1 2 2 TYR N N 15 116.594 . . 1 . . . . . 372 Y N . 52468 1 9 . 1 . 1 3 3 SER C C 13 173.13 . . 1 . . . . . 373 S C . 52468 1 10 . 1 . 1 3 3 SER CA C 13 56.531 . . 1 . . . . . 373 S CA . 52468 1 11 . 1 . 1 3 3 SER CB C 13 67.402 . . 1 . . . . . 373 S CB . 52468 1 12 . 1 . 1 3 3 SER N N 15 115.849 . . 1 . . . . . 373 S N . 52468 1 13 . 1 . 1 4 4 SER C C 13 173.627 . . 1 . . . . . 374 S C . 52468 1 14 . 1 . 1 4 4 SER CA C 13 56.13 . . 1 . . . . . 374 S CA . 52468 1 15 . 1 . 1 4 4 SER CB C 13 64.1 . . 1 . . . . . 374 S CB . 52468 1 16 . 1 . 1 4 4 SER N N 15 114.599 . . 1 . . . . . 374 S N . 52468 1 17 . 1 . 1 5 5 ILE C C 13 174.522 . . 1 . . . . . 375 I C . 52468 1 18 . 1 . 1 5 5 ILE CA C 13 60.522 . . 1 . . . . . 375 I CA . 52468 1 19 . 1 . 1 5 5 ILE CB C 13 41.938 . . 1 . . . . . 375 I CB . 52468 1 20 . 1 . 1 5 5 ILE CG1 C 13 27.5 . . 1 . . . . . 375 I CG1 . 52468 1 21 . 1 . 1 5 5 ILE CD1 C 13 17.2 . . 1 . . . . . 375 I CD . 52468 1 22 . 1 . 1 5 5 ILE N N 15 127.922 . . 1 . . . . . 375 I N . 52468 1 23 . 1 . 1 6 6 LYS C C 13 174.017 . . 1 . . . . . 376 K C . 52468 1 24 . 1 . 1 6 6 LYS CA C 13 55.046 . . 1 . . . . . 376 K CA . 52468 1 25 . 1 . 1 6 6 LYS CB C 13 35.691 . . 1 . . . . . 376 K CB . 52468 1 26 . 1 . 1 6 6 LYS CG C 13 25.6 . . 1 . . . . . 376 K CG . 52468 1 27 . 1 . 1 6 6 LYS CD C 13 29.9 . . 1 . . . . . 376 K CD . 52468 1 28 . 1 . 1 6 6 LYS N N 15 129.68 . . 1 . . . . . 376 K N . 52468 1 29 . 1 . 1 7 7 LEU C C 13 175.888 . . 1 . . . . . 377 L C . 52468 1 30 . 1 . 1 7 7 LEU CA C 13 53.837 . . 1 . . . . . 377 L CA . 52468 1 31 . 1 . 1 7 7 LEU CB C 13 43.788 . . 1 . . . . . 377 L CB . 52468 1 32 . 1 . 1 7 7 LEU CG C 13 29.1 . . 1 . . . . . 377 L CG . 52468 1 33 . 1 . 1 7 7 LEU CD1 C 13 26.6 . . 1 . . . . . 377 L CD# . 52468 1 34 . 1 . 1 7 7 LEU CD2 C 13 26.6 . . 1 . . . . . 377 L CD# . 52468 1 35 . 1 . 1 7 7 LEU N N 15 127.225 . . 1 . . . . . 377 L N . 52468 1 36 . 1 . 1 8 8 SER C C 13 173.015 . . 1 . . . . . 378 S C . 52468 1 37 . 1 . 1 8 8 SER CA C 13 55.568 . . 1 . . . . . 378 S CA . 52468 1 38 . 1 . 1 8 8 SER CB C 13 65.359 . . 1 . . . . . 378 S CB . 52468 1 39 . 1 . 1 8 8 SER N N 15 119.964 . . 1 . . . . . 378 S N . 52468 1 40 . 1 . 1 9 9 ASN C C 13 172.891 . . 1 . . . . . 379 N C . 52468 1 41 . 1 . 1 9 9 ASN CA C 13 53.946 . . 1 . . . . . 379 N CA . 52468 1 42 . 1 . 1 9 9 ASN CB C 13 36.81 . . 1 . . . . . 379 N CB . 52468 1 43 . 1 . 1 9 9 ASN CG C 13 178.5 . . 1 . . . . . 379 N CG . 52468 1 44 . 1 . 1 9 9 ASN N N 15 118.108 . . 1 . . . . . 379 N N . 52468 1 45 . 1 . 1 10 10 ASN C C 13 173.913 . . 1 . . . . . 380 N C . 52468 1 46 . 1 . 1 10 10 ASN CA C 13 52.948 . . 1 . . . . . 380 N CA . 52468 1 47 . 1 . 1 10 10 ASN CB C 13 39.27 . . 1 . . . . . 380 N CB . 52468 1 48 . 1 . 1 10 10 ASN CG C 13 176.8 . . 1 . . . . . 380 N CG . 52468 1 49 . 1 . 1 10 10 ASN N N 15 114.384 . . 1 . . . . . 380 N N . 52468 1 50 . 1 . 1 11 11 ASN C C 13 174.876 . . 1 . . . . . 381 N C . 52468 1 51 . 1 . 1 11 11 ASN CA C 13 52.61 . . 1 . . . . . 381 N CA . 52468 1 52 . 1 . 1 11 11 ASN CB C 13 42.48 . . 1 . . . . . 381 N CB . 52468 1 53 . 1 . 1 11 11 ASN N N 15 121.361 . . 1 . . . . . 381 N N . 52468 1 54 . 1 . 1 12 12 ASN C C 13 174.029 . . 1 . . . . . 382 N C . 52468 1 55 . 1 . 1 12 12 ASN CA C 13 54.063 . . 1 . . . . . 382 N CA . 52468 1 56 . 1 . 1 12 12 ASN CB C 13 36.394 . . 1 . . . . . 382 N CB . 52468 1 57 . 1 . 1 12 12 ASN CG C 13 178.4 . . 1 . . . . . 382 N CG . 52468 1 58 . 1 . 1 12 12 ASN N N 15 112.347 . . 1 . . . . . 382 N N . 52468 1 59 . 1 . 1 13 13 ASN C C 13 174.074 . . 1 . . . . . 383 N C . 52468 1 60 . 1 . 1 13 13 ASN CA C 13 54.072 . . 1 . . . . . 383 N CA . 52468 1 61 . 1 . 1 13 13 ASN CB C 13 42.21 . . 1 . . . . . 383 N CB . 52468 1 62 . 1 . 1 13 13 ASN CG C 13 177.7 . . 1 . . . . . 383 N CG . 52468 1 63 . 1 . 1 13 13 ASN N N 15 114.221 . . 1 . . . . . 383 N N . 52468 1 64 . 1 . 1 14 14 SER C C 13 175.497 . . 1 . . . . . 384 S C . 52468 1 65 . 1 . 1 14 14 SER CA C 13 55.987 . . 1 . . . . . 384 S CA . 52468 1 66 . 1 . 1 14 14 SER CB C 13 64.05 . . 1 . . . . . 384 S CB . 52468 1 67 . 1 . 1 14 14 SER N N 15 114.499 . . 1 . . . . . 384 S N . 52468 1 68 . 1 . 1 15 15 ASN C C 13 173.752 . . 1 . . . . . 385 N C . 52468 1 69 . 1 . 1 15 15 ASN CA C 13 54.316 . . 1 . . . . . 385 N CA . 52468 1 70 . 1 . 1 15 15 ASN CB C 13 37.503 . . 1 . . . . . 385 N CB . 52468 1 71 . 1 . 1 15 15 ASN CG C 13 178.1 . . 1 . . . . . 385 N CG . 52468 1 72 . 1 . 1 15 15 ASN N N 15 128.633 . . 1 . . . . . 385 N N . 52468 1 73 . 1 . 1 16 16 SER C C 13 171.333 . . 1 . . . . . 386 S C . 52468 1 74 . 1 . 1 16 16 SER CA C 13 58.824 . . 1 . . . . . 386 S CA . 52468 1 75 . 1 . 1 16 16 SER CB C 13 69.194 . . 1 . . . . . 386 S CB . 52468 1 76 . 1 . 1 16 16 SER N N 15 110.995 . . 1 . . . . . 386 S N . 52468 1 77 . 1 . 1 17 17 ASN C C 13 172.113 . . 1 . . . . . 387 N C . 52468 1 78 . 1 . 1 17 17 ASN CA C 13 52.712 . . 1 . . . . . 387 N CA . 52468 1 79 . 1 . 1 17 17 ASN CB C 13 36.712 . . 1 . . . . . 387 N CB . 52468 1 80 . 1 . 1 17 17 ASN CG C 13 176.3 . . 1 . . . . . 387 N CG . 52468 1 81 . 1 . 1 17 17 ASN N N 15 115.081 . . 1 . . . . . 387 N N . 52468 1 82 . 1 . 1 18 18 ASN C C 13 174.854 . . 1 . . . . . 388 N C . 52468 1 83 . 1 . 1 18 18 ASN CA C 13 53.13 . . 1 . . . . . 388 N CA . 52468 1 84 . 1 . 1 18 18 ASN CB C 13 40.128 . . 1 . . . . . 388 N CB . 52468 1 85 . 1 . 1 18 18 ASN N N 15 113.368 . . 1 . . . . . 388 N N . 52468 1 86 . 1 . 1 19 19 ILE C C 13 174.209 . . 1 . . . . . 389 I C . 52468 1 87 . 1 . 1 19 19 ILE CA C 13 60.444 . . 1 . . . . . 389 I CA . 52468 1 88 . 1 . 1 19 19 ILE CB C 13 41.273 . . 1 . . . . . 389 I CB . 52468 1 89 . 1 . 1 19 19 ILE CG1 C 13 27.1 . . 1 . . . . . 389 I CG1 . 52468 1 90 . 1 . 1 19 19 ILE CD1 C 13 17 . . 1 . . . . . 389 I CD . 52468 1 91 . 1 . 1 19 19 ILE N N 15 120.013 . . 1 . . . . . 389 I N . 52468 1 92 . 1 . 1 20 20 GLU C C 13 174.315 . . 1 . . . . . 390 E C . 52468 1 93 . 1 . 1 20 20 GLU CA C 13 54.265 . . 1 . . . . . 390 E CA . 52468 1 94 . 1 . 1 20 20 GLU CB C 13 32.899 . . 1 . . . . . 390 E CB . 52468 1 95 . 1 . 1 20 20 GLU CG C 13 36.1 . . 1 . . . . . 390 E CG . 52468 1 96 . 1 . 1 20 20 GLU CD C 13 183.5 . . 1 . . . . . 390 E CD . 52468 1 97 . 1 . 1 20 20 GLU N N 15 127.158 . . 1 . . . . . 390 E N . 52468 1 98 . 1 . 1 21 21 ILE C C 13 174.527 . . 1 . . . . . 391 I C . 52468 1 99 . 1 . 1 21 21 ILE CA C 13 59.802 . . 1 . . . . . 391 I CA . 52468 1 100 . 1 . 1 21 21 ILE CB C 13 41.051 . . 1 . . . . . 391 I CB . 52468 1 101 . 1 . 1 21 21 ILE CG1 C 13 27 . . 1 . . . . . 391 I CG1 . 52468 1 102 . 1 . 1 21 21 ILE CD1 C 13 16.8 . . 1 . . . . . 391 I CD . 52468 1 103 . 1 . 1 21 21 ILE N N 15 125.016 . . 1 . . . . . 391 I N . 52468 1 104 . 1 . 1 22 22 SER C C 13 173.9 . . 1 . . . . . 392 S C . 52468 1 105 . 1 . 1 22 22 SER CA C 13 55.752 . . 1 . . . . . 392 S CA . 52468 1 106 . 1 . 1 22 22 SER CB C 13 65.459 . . 1 . . . . . 392 S CB . 52468 1 107 . 1 . 1 22 22 SER N N 15 120.36 . . 1 . . . . . 392 S N . 52468 1 108 . 1 . 1 23 23 LYS N N 15 128.15 . . 1 . . . . . 393 K N . 52468 1 109 . 1 . 1 31 31 ASP C C 13 175.718 . . 1 . . . . . 401 D C . 52468 1 110 . 1 . 1 31 31 ASP CA C 13 53.014 . . 1 . . . . . 401 D CA . 52468 1 111 . 1 . 1 31 31 ASP CB C 13 39.284 . . 1 . . . . . 401 D CB . 52468 1 112 . 1 . 1 31 31 ASP CG C 13 177.1 . . 1 . . . . . 401 D CG . 52468 1 113 . 1 . 1 32 32 ILE C C 13 174.638 . . 1 . . . . . 402 I C . 52468 1 114 . 1 . 1 32 32 ILE CA C 13 58.785 . . 1 . . . . . 402 I CA . 52468 1 115 . 1 . 1 32 32 ILE CB C 13 40.352 . . 1 . . . . . 402 I CB . 52468 1 116 . 1 . 1 32 32 ILE CG1 C 13 27 . . 1 . . . . . 402 I CG1 . 52468 1 117 . 1 . 1 32 32 ILE CD1 C 13 16.9 . . 1 . . . . . 402 I CD . 52468 1 118 . 1 . 1 32 32 ILE N N 15 122.523 . . 1 . . . . . 402 I N . 52468 1 119 . 1 . 1 33 33 GLY C C 13 172.074 . . 1 . . . . . 403 G C . 52468 1 120 . 1 . 1 33 33 GLY CA C 13 43.294 . . 1 . . . . . 403 G CA . 52468 1 121 . 1 . 1 33 33 GLY N N 15 115.901 . . 1 . . . . . 403 G N . 52468 1 122 . 1 . 1 34 34 GLY C C 13 175.201 . . 1 . . . . . 404 G C . 52468 1 123 . 1 . 1 34 34 GLY CA C 13 44.454 . . 1 . . . . . 404 G CA . 52468 1 124 . 1 . 1 34 34 GLY N N 15 106.206 . . 1 . . . . . 404 G N . 52468 1 125 . 1 . 1 35 35 THR C C 13 172.482 . . 1 . . . . . 405 T C . 52468 1 126 . 1 . 1 35 35 THR CA C 13 60.429 . . 1 . . . . . 405 T CA . 52468 1 127 . 1 . 1 35 35 THR CB C 13 71.939 . . 1 . . . . . 405 T CB . 52468 1 128 . 1 . 1 35 35 THR CG2 C 13 21.1 . . 1 . . . . . 405 T CG . 52468 1 129 . 1 . 1 35 35 THR N N 15 120.255 . . 1 . . . . . 405 T N . 52468 1 130 . 1 . 1 36 36 ASN C C 13 173.152 . . 1 . . . . . 406 N C . 52468 1 131 . 1 . 1 36 36 ASN CA C 13 53.669 . . 1 . . . . . 406 N CA . 52468 1 132 . 1 . 1 36 36 ASN CB C 13 36.516 . . 1 . . . . . 406 N CB . 52468 1 133 . 1 . 1 36 36 ASN N N 15 121.316 . . 1 . . . . . 406 N N . 52468 1 134 . 1 . 1 40 40 ALA CA C 13 52.188 . . 5 . . . . . 410 A CA . 52468 1 135 . 1 . 1 40 40 ALA CB C 13 19.028 . . 5 . . . . . 410 A CB . 52468 1 136 . 1 . 1 41 41 SER CA C 13 58.296 . . 5 . . . . . 411 S CA . 52468 1 137 . 1 . 1 41 41 SER CB C 13 63.507 . . 5 . . . . . 411 S CB . 52468 1 138 . 1 . 1 42 42 ARG CA C 13 56.081 . . 1 . . . . . 412 R CA . 52468 1 139 . 1 . 1 42 42 ARG CB C 13 30.678 . . 1 . . . . . 412 R CB . 52468 1 140 . 1 . 1 42 42 ARG CG C 13 27 . . 1 . . . . . 412 R CG . 52468 1 141 . 1 . 1 42 42 ARG CD C 13 43.1 . . 1 . . . . . 412 R CD . 52468 1 142 . 1 . 1 44 44 ILE CA C 13 60.862 . . 1 . . . . . 414 I CA . 52468 1 143 . 1 . 1 44 44 ILE CB C 13 38.485 . . 1 . . . . . 414 I CB . 52468 1 144 . 1 . 1 44 44 ILE CG1 C 13 27.1 . . 1 . . . . . 414 I CG1 . 52468 1 145 . 1 . 1 44 44 ILE CD1 C 13 17.3 . . 1 . . . . . 414 I CD . 52468 1 146 . 1 . 1 45 45 ALA CA C 13 52.188 . . 5 . . . . . 415 A CA . 52468 1 147 . 1 . 1 45 45 ALA CB C 13 19.028 . . 5 . . . . . 415 A CB . 52468 1 148 . 1 . 1 46 46 SER CA C 13 58.296 . . 5 . . . . . 416 S CA . 52468 1 149 . 1 . 1 46 46 SER CB C 13 63.507 . . 5 . . . . . 416 S CB . 52468 1 150 . 1 . 1 47 47 ALA CA C 13 52.188 . . 5 . . . . . 417 A CA . 52468 1 151 . 1 . 1 47 47 ALA CB C 13 19.028 . . 5 . . . . . 417 A CB . 52468 1 152 . 1 . 1 48 48 ALA CA C 13 52.188 . . 5 . . . . . 418 A CA . 52468 1 153 . 1 . 1 48 48 ALA CB C 13 19.028 . . 5 . . . . . 418 A CB . 52468 1 154 . 1 . 1 49 49 VAL CA C 13 62.279 . . 1 . . . . . 419 V CA . 52468 1 155 . 1 . 1 49 49 VAL CB C 13 32.555 . . 1 . . . . . 419 V CB . 52468 1 156 . 1 . 1 49 49 VAL CG1 C 13 20.5 . . 1 . . . . . 419 V CG# . 52468 1 157 . 1 . 1 49 49 VAL CG2 C 13 20.5 . . 1 . . . . . 419 V CG# . 52468 1 158 . 1 . 1 50 50 GLY CA C 13 45.01 . . 1 . . . . . 420 G CA . 52468 1 159 . 1 . 1 51 51 GLU CA C 13 56.41 . . 5 . . . . . 421 E CA . 52468 1 160 . 1 . 1 51 51 GLU CB C 13 30.012 . . 5 . . . . . 421 E CB . 52468 1 161 . 1 . 1 51 51 GLU CG C 13 36 . . 5 . . . . . 421 E CG . 52468 1 162 . 1 . 1 52 52 GLU CA C 13 56.41 . . 5 . . . . . 422 E CA . 52468 1 163 . 1 . 1 52 52 GLU CB C 13 30.012 . . 5 . . . . . 422 E CB . 52468 1 164 . 1 . 1 52 52 GLU CG C 13 36 . . 5 . . . . . 422 E CG . 52468 1 165 . 1 . 1 54 54 SER CA C 13 58.296 . . 5 . . . . . 424 S CA . 52468 1 166 . 1 . 1 54 54 SER CB C 13 63.507 . . 5 . . . . . 424 S CB . 52468 1 167 . 1 . 1 56 56 LEU CA C 13 55.166 . . 1 . . . . . 426 L CA . 52468 1 168 . 1 . 1 56 56 LEU CB C 13 42.065 . . 1 . . . . . 426 L CB . 52468 1 169 . 1 . 1 56 56 LEU CG C 13 26.8 . . 1 . . . . . 426 L CG . 52468 1 170 . 1 . 1 56 56 LEU CD1 C 13 24.8 . . 1 . . . . . 426 L CD . 52468 1 171 . 1 . 1 56 56 LEU CD2 C 13 24.8 . . 1 . . . . . 426 L CD . 52468 1 172 . 1 . 1 57 57 SER CA C 13 58.296 . . 5 . . . . . 427 S CA . 52468 1 173 . 1 . 1 57 57 SER CB C 13 63.507 . . 5 . . . . . 427 S CB . 52468 1 174 . 1 . 1 58 58 SER CA C 13 58.296 . . 5 . . . . . 428 S CA . 52468 1 175 . 1 . 1 58 58 SER CB C 13 63.507 . . 5 . . . . . 428 S CB . 52468 1 176 . 1 . 1 60 60 SER CA C 13 58.296 . . 5 . . . . . 430 S CA . 52468 1 177 . 1 . 1 60 60 SER CB C 13 63.507 . . 5 . . . . . 430 S CB . 52468 1 178 . 1 . 1 62 62 GLU CA C 13 56.41 . . 5 . . . . . 432 E CA . 52468 1 179 . 1 . 1 62 62 GLU CB C 13 30.012 . . 5 . . . . . 432 E CB . 52468 1 180 . 1 . 1 62 62 GLU CG C 13 36 . . 5 . . . . . 432 E CG . 52468 1 181 . 1 . 1 64 64 ASN CA C 13 53.057 . . 5 . . . . . 434 N CA . 52468 1 182 . 1 . 1 64 64 ASN CB C 13 38.663 . . 5 . . . . . 434 N CB . 52468 1 183 . 1 . 1 65 65 ASN CA C 13 53.057 . . 5 . . . . . 435 N CA . 52468 1 184 . 1 . 1 65 65 ASN CB C 13 38.663 . . 5 . . . . . 435 N CB . 52468 1 185 . 1 . 1 66 66 ASN CA C 13 51.079 . . 1 . . . . . 436 N CA . 52468 1 186 . 1 . 1 66 66 ASN CB C 13 38.616 . . 1 . . . . . 436 N CB . 52468 1 187 . 1 . 1 67 67 PRO CA C 13 63.451 . . 1 . . . . . 437 P CA . 52468 1 188 . 1 . 1 67 67 PRO CB C 13 31.896 . . 1 . . . . . 437 P CB . 52468 1 189 . 1 . 1 67 67 PRO CG C 13 26.9 . . 1 . . . . . 437 P CG . 52468 1 190 . 1 . 1 67 67 PRO CD C 13 50.4 . . 1 . . . . . 437 P CD . 52468 1 191 . 1 . 1 68 68 ASN CA C 13 53.057 . . 5 . . . . . 438 N CA . 52468 1 192 . 1 . 1 68 68 ASN CB C 13 38.663 . . 5 . . . . . 438 N CB . 52468 1 193 . 1 . 1 69 69 ASN CA C 13 53.057 . . 5 . . . . . 439 N CA . 52468 1 194 . 1 . 1 69 69 ASN CB C 13 38.663 . . 5 . . . . . 439 N CB . 52468 1 195 . 1 . 1 70 70 ASP CA C 13 54.374 . . 1 . . . . . 440 D CA . 52468 1 196 . 1 . 1 70 70 ASP CB C 13 40.865 . . 1 . . . . . 440 D CB . 52468 1 stop_ save_