data_51829 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51829 _Entry.Title ; Backbone assignment of Human SERF1a short form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-14 _Entry.Accession_date 2023-02-14 _Entry.Last_release_date 2023-02-15 _Entry.Original_release_date 2023-02-15 _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 Yi-Ping Huang . . . . 51829 2 Chun-Yu Chen . . . . 51829 3 Yun-Ru Chen . . . . 51829 4 Chi-Fon Chang . . . 0000-0002-2961-0748 51829 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Genomics Research Center, Academia Sinica, Taiwan' . 51829 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51829 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 51829 '15N chemical shifts' 54 51829 '1H chemical shifts' 54 51829 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 . . 2024-09-28 . original BMRB . 51829 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51829 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39120045 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Binding structures of SERF1a with NT17-polyQ peptides of huntingtin exon 1 revealed by SEC-SWAXS, NMR and molecular simulation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev IUCrJ _Citation.Journal_name_full IUCrJ _Citation.Journal_volume 11 _Citation.Journal_issue 'Pt 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN 2052-2525 _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 849 _Citation.Page_last 858 _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 'Tien Chang' Lin T. C. . . 51829 1 2 Orion Shih O. . . . 51829 1 3 'Tien Ying' Tsai T. Y. . . 51829 1 4 'Yi Qi' Yeh Y. Q. . . 51829 1 5 'Kuei Fen' Liao K. F. . . 51829 1 6 Bradley Mansel B. W. . . 51829 1 7 'Ying Jen' Shiu Y. J. . . 51829 1 8 'Chi Fon' Chang C. F. . . 51829 1 9 'An Chung' Su A. C. . . 51829 1 10 'Yun Ru' Chen Y. R. . . 51829 1 11 'U Ser' Jeng U. S. . . 51829 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51829 _Assembly.ID 1 _Assembly.Name SERF1a _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 SERF1a 1 $entity_1 . . yes native no no . . . 51829 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51829 _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 ; MARGNQRELARQKNMKKTQE ISKGKRKEDSLTASQRKQRD SEIMQEKQKAANEKKSMQTR EK ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 . MET . 51829 1 2 . ALA . 51829 1 3 . ARG . 51829 1 4 . GLY . 51829 1 5 . ASN . 51829 1 6 . GLN . 51829 1 7 . ARG . 51829 1 8 . GLU . 51829 1 9 . LEU . 51829 1 10 . ALA . 51829 1 11 . ARG . 51829 1 12 . GLN . 51829 1 13 . LYS . 51829 1 14 . ASN . 51829 1 15 . MET . 51829 1 16 . LYS . 51829 1 17 . LYS . 51829 1 18 . THR . 51829 1 19 . GLN . 51829 1 20 . GLU . 51829 1 21 . ILE . 51829 1 22 . SER . 51829 1 23 . LYS . 51829 1 24 . GLY . 51829 1 25 . LYS . 51829 1 26 . ARG . 51829 1 27 . LYS . 51829 1 28 . GLU . 51829 1 29 . ASP . 51829 1 30 . SER . 51829 1 31 . LEU . 51829 1 32 . THR . 51829 1 33 . ALA . 51829 1 34 . SER . 51829 1 35 . GLN . 51829 1 36 . ARG . 51829 1 37 . LYS . 51829 1 38 . GLN . 51829 1 39 . ARG . 51829 1 40 . ASP . 51829 1 41 . SER . 51829 1 42 . GLU . 51829 1 43 . ILE . 51829 1 44 . MET . 51829 1 45 . GLN . 51829 1 46 . GLU . 51829 1 47 . LYS . 51829 1 48 . GLN . 51829 1 49 . LYS . 51829 1 50 . ALA . 51829 1 51 . ALA . 51829 1 52 . ASN . 51829 1 53 . GLU . 51829 1 54 . LYS . 51829 1 55 . LYS . 51829 1 56 . SER . 51829 1 57 . MET . 51829 1 58 . GLN . 51829 1 59 . THR . 51829 1 60 . ARG . 51829 1 61 . GLU . 51829 1 62 . LYS . 51829 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 51829 1 . ALA 2 2 51829 1 . ARG 3 3 51829 1 . GLY 4 4 51829 1 . ASN 5 5 51829 1 . GLN 6 6 51829 1 . ARG 7 7 51829 1 . GLU 8 8 51829 1 . LEU 9 9 51829 1 . ALA 10 10 51829 1 . ARG 11 11 51829 1 . GLN 12 12 51829 1 . LYS 13 13 51829 1 . ASN 14 14 51829 1 . MET 15 15 51829 1 . LYS 16 16 51829 1 . LYS 17 17 51829 1 . THR 18 18 51829 1 . GLN 19 19 51829 1 . GLU 20 20 51829 1 . ILE 21 21 51829 1 . SER 22 22 51829 1 . LYS 23 23 51829 1 . GLY 24 24 51829 1 . LYS 25 25 51829 1 . ARG 26 26 51829 1 . LYS 27 27 51829 1 . GLU 28 28 51829 1 . ASP 29 29 51829 1 . SER 30 30 51829 1 . LEU 31 31 51829 1 . THR 32 32 51829 1 . ALA 33 33 51829 1 . SER 34 34 51829 1 . GLN 35 35 51829 1 . ARG 36 36 51829 1 . LYS 37 37 51829 1 . GLN 38 38 51829 1 . ARG 39 39 51829 1 . ASP 40 40 51829 1 . SER 41 41 51829 1 . GLU 42 42 51829 1 . ILE 43 43 51829 1 . MET 44 44 51829 1 . GLN 45 45 51829 1 . GLU 46 46 51829 1 . LYS 47 47 51829 1 . GLN 48 48 51829 1 . LYS 49 49 51829 1 . ALA 50 50 51829 1 . ALA 51 51 51829 1 . ASN 52 52 51829 1 . GLU 53 53 51829 1 . LYS 54 54 51829 1 . LYS 55 55 51829 1 . SER 56 56 51829 1 . MET 57 57 51829 1 . GLN 58 58 51829 1 . THR 59 59 51829 1 . ARG 60 60 51829 1 . GLU 61 61 51829 1 . LYS 62 62 51829 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 51829 _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 . . . . . . . . . . . . . 51829 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 51829 _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 . . pET14b . . . 51829 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51829 _Sample.ID 1 _Sample.Name '13C/15N SERF1a' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; labeled proteins were expressed in M9 minimal media containing 15NH4Cl and 13Cglucose. Purified 15N-labeled SERF1a was concentrated to 0.1 mM in 50 mM Tris-HCl (pH 6.8), 20 mM NaCl, and 3 mM NaN3 for NMR structural studies. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SERF1a short form' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 51829 1 2 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 51829 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51829 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51829 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51829 _Sample.ID 2 _Sample.Name Buffer _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM Tris-HCl (pH 6.8), 20 mM NaCl, and 3 mM NaN3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 51829 2 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51829 2 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51829 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51829 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details '0.1mM Protein in 50 mM Tris-HCl (pH 6.8), 20 mM NaCl, and 3 mM NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 51829 1 pH 6.8 . pH 51829 1 pressure 1 . atm 51829 1 temperature 298 . K 51829 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51829 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51829 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51829 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51829 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 51829 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 850MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51829 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 600MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51829 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51829 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 1 6 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 1 7 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51829 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 51829 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 51829 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 51829 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51829 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 51829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SERF1a _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 4 '3D CBCA(CO)NH' . . . 51829 1 5 '3D HNCACB' . . . 51829 1 6 '3D HNCA' . . . 51829 1 7 '3D HNCO' . . . 51829 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 . . 51829 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 MET C C 13 175.53 0.2 . 1 . . . . . 1 MET C . 51829 1 2 . 1 . 1 1 1 MET CA C 13 55.24 0.2 . 1 . . . . . 1 MET CA . 51829 1 3 . 1 . 1 1 1 MET CB C 13 32.79 0.2 . 1 . . . . . 1 MET CB . 51829 1 4 . 1 . 1 2 2 ALA H H 1 8.33 0.04 . 1 . . . . . 2 ALA H . 51829 1 5 . 1 . 1 2 2 ALA C C 13 177.51 0.2 . 1 . . . . . 2 ALA C . 51829 1 6 . 1 . 1 2 2 ALA CA C 13 52.42 0.2 . 1 . . . . . 2 ALA CA . 51829 1 7 . 1 . 1 2 2 ALA CB C 13 18.88 0.2 . 1 . . . . . 2 ALA CB . 51829 1 8 . 1 . 1 2 2 ALA N N 15 125.835 0.2 . 1 . . . . . 2 ALA N . 51829 1 9 . 1 . 1 3 3 ARG H H 1 8.35 0.04 . 1 . . . . . 3 ARG H . 51829 1 10 . 1 . 1 3 3 ARG C C 13 176.87 0.2 . 1 . . . . . 3 ARG C . 51829 1 11 . 1 . 1 3 3 ARG CA C 13 56.13 0.2 . 1 . . . . . 3 ARG CA . 51829 1 12 . 1 . 1 3 3 ARG CB C 13 30.73 0.2 . 1 . . . . . 3 ARG CB . 51829 1 13 . 1 . 1 3 3 ARG N N 15 120.470 0.2 . 1 . . . . . 3 ARG N . 51829 1 14 . 1 . 1 4 4 GLY H H 1 8.41 0.04 . 1 . . . . . 4 GLY H . 51829 1 15 . 1 . 1 4 4 GLY C C 13 173.90 0.2 . 1 . . . . . 4 GLY C . 51829 1 16 . 1 . 1 4 4 GLY CA C 13 45.22 0.2 . 1 . . . . . 4 GLY CA . 51829 1 17 . 1 . 1 4 4 GLY N N 15 109.642 0.2 . 1 . . . . . 4 GLY N . 51829 1 18 . 1 . 1 5 5 ASN H H 1 8.37 0.04 . 1 . . . . . 5 ASN H . 51829 1 19 . 1 . 1 5 5 ASN C C 13 175.53 0.2 . 1 . . . . . 5 ASN C . 51829 1 20 . 1 . 1 5 5 ASN CA C 13 53.39 0.2 . 1 . . . . . 5 ASN CA . 51829 1 21 . 1 . 1 5 5 ASN CB C 13 38.69 0.2 . 1 . . . . . 5 ASN CB . 51829 1 22 . 1 . 1 5 5 ASN N N 15 118.834 0.2 . 1 . . . . . 5 ASN N . 51829 1 23 . 1 . 1 6 6 GLN H H 1 8.49 0.04 . 1 . . . . . 6 GLN H . 51829 1 24 . 1 . 1 6 6 GLN C C 13 177.01 0.2 . 1 . . . . . 6 GLN C . 51829 1 25 . 1 . 1 6 6 GLN CA C 13 56.98 0.2 . 1 . . . . . 6 GLN CA . 51829 1 26 . 1 . 1 6 6 GLN CB C 13 28.80 0.2 . 1 . . . . . 6 GLN CB . 51829 1 27 . 1 . 1 6 6 GLN N N 15 120.871 0.2 . 1 . . . . . 6 GLN N . 51829 1 28 . 1 . 1 7 7 ARG H H 1 8.34 0.04 . 1 . . . . . 7 ARG H . 51829 1 29 . 1 . 1 7 7 ARG C C 13 177.40 0.2 . 1 . . . . . 7 ARG C . 51829 1 30 . 1 . 1 7 7 ARG CA C 13 56.98 0.2 . 1 . . . . . 7 ARG CA . 51829 1 31 . 1 . 1 7 7 ARG CB C 13 32.72 0.2 . 1 . . . . . 7 ARG CB . 51829 1 32 . 1 . 1 7 7 ARG N N 15 121.157 0.2 . 1 . . . . . 7 ARG N . 51829 1 33 . 1 . 1 8 8 GLU H H 1 8.34 0.04 . 1 . . . . . 8 GLU H . 51829 1 34 . 1 . 1 8 8 GLU C C 13 177.59 0.2 . 1 . . . . . 8 GLU C . 51829 1 35 . 1 . 1 8 8 GLU CA C 13 57.00 0.2 . 1 . . . . . 8 GLU CA . 51829 1 36 . 1 . 1 8 8 GLU CB C 13 29.85 0.2 . 1 . . . . . 8 GLU CB . 51829 1 37 . 1 . 1 8 8 GLU N N 15 121.196 0.2 . 1 . . . . . 8 GLU N . 51829 1 38 . 1 . 1 9 9 LEU H H 1 8.18 0.04 . 1 . . . . . 9 LEU H . 51829 1 39 . 1 . 1 9 9 LEU C C 13 178.30 0.2 . 1 . . . . . 9 LEU C . 51829 1 40 . 1 . 1 9 9 LEU CA C 13 55.94 0.2 . 1 . . . . . 9 LEU CA . 51829 1 41 . 1 . 1 9 9 LEU CB C 13 41.91 0.2 . 1 . . . . . 9 LEU CB . 51829 1 42 . 1 . 1 9 9 LEU N N 15 122.730 0.2 . 1 . . . . . 9 LEU N . 51829 1 43 . 1 . 1 10 10 ALA H H 1 8.13 0.04 . 1 . . . . . 10 ALA H . 51829 1 44 . 1 . 1 10 10 ALA C C 13 178.67 0.2 . 1 . . . . . 10 ALA C . 51829 1 45 . 1 . 1 10 10 ALA CA C 13 53.40 0.2 . 1 . . . . . 10 ALA CA . 51829 1 46 . 1 . 1 10 10 ALA CB C 13 18.78 0.2 . 1 . . . . . 10 ALA CB . 51829 1 47 . 1 . 1 10 10 ALA N N 15 123.374 0.2 . 1 . . . . . 10 ALA N . 51829 1 48 . 1 . 1 11 11 ARG H H 1 8.07 0.04 . 1 . . . . . 11 ARG H . 51829 1 49 . 1 . 1 11 11 ARG C C 13 177.42 0.2 . 1 . . . . . 11 ARG C . 51829 1 50 . 1 . 1 11 11 ARG CA C 13 56.96 0.2 . 1 . . . . . 11 ARG CA . 51829 1 51 . 1 . 1 11 11 ARG CB C 13 30.49 0.2 . 1 . . . . . 11 ARG CB . 51829 1 52 . 1 . 1 11 11 ARG N N 15 119.465 0.2 . 1 . . . . . 11 ARG N . 51829 1 53 . 1 . 1 12 12 GLN H H 1 8.21 0.04 . 1 . . . . . 12 GLN H . 51829 1 54 . 1 . 1 12 12 GLN C C 13 177.10 0.2 . 1 . . . . . 12 GLN C . 51829 1 55 . 1 . 1 12 12 GLN CA C 13 57.15 0.2 . 1 . . . . . 12 GLN CA . 51829 1 56 . 1 . 1 12 12 GLN CB C 13 28.97 0.2 . 1 . . . . . 12 GLN CB . 51829 1 57 . 1 . 1 12 12 GLN N N 15 120.321 0.2 . 1 . . . . . 12 GLN N . 51829 1 58 . 1 . 1 13 13 LYS C C 13 177.02 0.2 . 1 . . . . . 13 LYS C . 51829 1 59 . 1 . 1 13 13 LYS CA C 13 56.96 0.2 . 1 . . . . . 13 LYS CA . 51829 1 60 . 1 . 1 13 13 LYS CB C 13 32.87 0.2 . 1 . . . . . 13 LYS CB . 51829 1 61 . 1 . 1 14 14 ASN H H 1 8.34 0.04 . 1 . . . . . 14 ASN H . 51829 1 62 . 1 . 1 14 14 ASN C C 13 175.63 0.2 . 1 . . . . . 14 ASN C . 51829 1 63 . 1 . 1 14 14 ASN CA C 13 53.42 0.2 . 1 . . . . . 14 ASN CA . 51829 1 64 . 1 . 1 14 14 ASN CB C 13 38.72 0.2 . 1 . . . . . 14 ASN CB . 51829 1 65 . 1 . 1 14 14 ASN N N 15 118.855 0.2 . 1 . . . . . 14 ASN N . 51829 1 66 . 1 . 1 15 15 MET H H 1 8.22 0.04 . 1 . . . . . 15 MET H . 51829 1 67 . 1 . 1 15 15 MET C C 13 176.47 0.2 . 1 . . . . . 15 MET C . 51829 1 68 . 1 . 1 15 15 MET CA C 13 55.76 0.2 . 1 . . . . . 15 MET CA . 51829 1 69 . 1 . 1 15 15 MET CB C 13 32.91 0.2 . 1 . . . . . 15 MET CB . 51829 1 70 . 1 . 1 15 15 MET N N 15 121.021 0.2 . 1 . . . . . 15 MET N . 51829 1 71 . 1 . 1 16 16 LYS H H 1 8.25 0.04 . 1 . . . . . 16 LYS H . 51829 1 72 . 1 . 1 16 16 LYS C C 13 176.79 0.2 . 1 . . . . . 16 LYS C . 51829 1 73 . 1 . 1 16 16 LYS CA C 13 57.10 0.2 . 1 . . . . . 16 LYS CA . 51829 1 74 . 1 . 1 16 16 LYS CB C 13 32.78 0.2 . 1 . . . . . 16 LYS CB . 51829 1 75 . 1 . 1 16 16 LYS N N 15 121.798 0.2 . 1 . . . . . 16 LYS N . 51829 1 76 . 1 . 1 17 17 LYS H H 1 8.25 0.04 . 1 . . . . . 17 LYS H . 51829 1 77 . 1 . 1 17 17 LYS C C 13 176.98 0.2 . 1 . . . . . 17 LYS C . 51829 1 78 . 1 . 1 17 17 LYS CA C 13 56.82 0.2 . 1 . . . . . 17 LYS CA . 51829 1 79 . 1 . 1 17 17 LYS CB C 13 32.71 0.2 . 1 . . . . . 17 LYS CB . 51829 1 80 . 1 . 1 17 17 LYS N N 15 122.366 0.2 . 1 . . . . . 17 LYS N . 51829 1 81 . 1 . 1 18 18 THR H H 1 8.19 0.04 . 1 . . . . . 18 THR H . 51829 1 82 . 1 . 1 18 18 THR C C 13 174.77 0.2 . 1 . . . . . 18 THR C . 51829 1 83 . 1 . 1 18 18 THR CA C 13 62.24 0.2 . 1 . . . . . 18 THR CA . 51829 1 84 . 1 . 1 18 18 THR CB C 13 69.71 0.2 . 1 . . . . . 18 THR CB . 51829 1 85 . 1 . 1 18 18 THR N N 15 115.855 0.2 . 1 . . . . . 18 THR N . 51829 1 86 . 1 . 1 19 19 GLN H H 1 8.42 0.04 . 1 . . . . . 19 GLN H . 51829 1 87 . 1 . 1 19 19 GLN C C 13 176.02 0.2 . 1 . . . . . 19 GLN C . 51829 1 88 . 1 . 1 19 19 GLN CA C 13 56.16 0.2 . 1 . . . . . 19 GLN CA . 51829 1 89 . 1 . 1 19 19 GLN CB C 13 29.38 0.2 . 1 . . . . . 19 GLN CB . 51829 1 90 . 1 . 1 19 19 GLN N N 15 122.619 0.2 . 1 . . . . . 19 GLN N . 51829 1 91 . 1 . 1 20 20 GLU H H 1 8.44 0.04 . 1 . . . . . 20 GLU H . 51829 1 92 . 1 . 1 20 20 GLU C C 13 176.77 0.2 . 1 . . . . . 20 GLU C . 51829 1 93 . 1 . 1 20 20 GLU CA C 13 56.69 0.2 . 1 . . . . . 20 GLU CA . 51829 1 94 . 1 . 1 20 20 GLU CB C 13 30.28 0.2 . 1 . . . . . 20 GLU CB . 51829 1 95 . 1 . 1 20 20 GLU N N 15 123.011 0.2 . 1 . . . . . 20 GLU N . 51829 1 96 . 1 . 1 21 21 ILE H H 1 8.29 0.04 . 1 . . . . . 21 ILE H . 51829 1 97 . 1 . 1 21 21 ILE C C 13 176.50 0.2 . 1 . . . . . 21 ILE C . 51829 1 98 . 1 . 1 21 21 ILE CA C 13 61.34 0.2 . 1 . . . . . 21 ILE CA . 51829 1 99 . 1 . 1 21 21 ILE CB C 13 38.55 0.2 . 1 . . . . . 21 ILE CB . 51829 1 100 . 1 . 1 21 21 ILE N N 15 122.554 0.2 . 1 . . . . . 21 ILE N . 51829 1 101 . 1 . 1 22 22 SER H H 1 8.39 0.04 . 1 . . . . . 22 SER H . 51829 1 102 . 1 . 1 22 22 SER C C 13 174.71 0.2 . 1 . . . . . 22 SER C . 51829 1 103 . 1 . 1 22 22 SER CA C 13 58.64 0.2 . 1 . . . . . 22 SER CA . 51829 1 104 . 1 . 1 22 22 SER CB C 13 63.64 0.2 . 1 . . . . . 22 SER CB . 51829 1 105 . 1 . 1 22 22 SER N N 15 119.856 0.2 . 1 . . . . . 22 SER N . 51829 1 106 . 1 . 1 23 23 LYS H H 1 8.39 0.04 . 1 . . . . . 23 LYS H . 51829 1 107 . 1 . 1 23 23 LYS C C 13 177.10 0.2 . 1 . . . . . 23 LYS C . 51829 1 108 . 1 . 1 23 23 LYS CA C 13 56.64 0.2 . 1 . . . . . 23 LYS CA . 51829 1 109 . 1 . 1 23 23 LYS CB C 13 32.84 0.2 . 1 . . . . . 23 LYS CB . 51829 1 110 . 1 . 1 23 23 LYS N N 15 123.754 0.2 . 1 . . . . . 23 LYS N . 51829 1 111 . 1 . 1 24 24 GLY H H 1 8.37 0.04 . 1 . . . . . 24 GLY H . 51829 1 112 . 1 . 1 24 24 GLY C C 13 173.84 0.2 . 1 . . . . . 24 GLY C . 51829 1 113 . 1 . 1 24 24 GLY CA C 13 45.15 0.2 . 1 . . . . . 24 GLY CA . 51829 1 114 . 1 . 1 24 24 GLY N N 15 109.623 0.2 . 1 . . . . . 24 GLY N . 51829 1 115 . 1 . 1 25 25 LYS H H 1 8.15 0.04 . 1 . . . . . 25 LYS H . 51829 1 116 . 1 . 1 25 25 LYS C C 13 176.46 0.2 . 1 . . . . . 25 LYS C . 51829 1 117 . 1 . 1 25 25 LYS CA C 13 56.23 0.2 . 1 . . . . . 25 LYS CA . 51829 1 118 . 1 . 1 25 25 LYS CB C 13 32.91 0.2 . 1 . . . . . 25 LYS CB . 51829 1 119 . 1 . 1 25 25 LYS N N 15 121.047 0.2 . 1 . . . . . 25 LYS N . 51829 1 120 . 1 . 1 26 26 ARG H H 1 8.44 0.04 . 1 . . . . . 26 ARG H . 51829 1 121 . 1 . 1 26 26 ARG C C 13 176.50 0.2 . 1 . . . . . 26 ARG C . 51829 1 122 . 1 . 1 26 26 ARG CA C 13 55.99 0.2 . 1 . . . . . 26 ARG CA . 51829 1 123 . 1 . 1 26 26 ARG CB C 13 30.44 0.2 . 1 . . . . . 26 ARG CB . 51829 1 124 . 1 . 1 26 26 ARG N N 15 123.004 0.2 . 1 . . . . . 26 ARG N . 51829 1 125 . 1 . 1 27 27 LYS H H 1 8.55 0.04 . 1 . . . . . 27 LYS H . 51829 1 126 . 1 . 1 27 27 LYS C C 13 176.93 0.2 . 1 . . . . . 27 LYS C . 51829 1 127 . 1 . 1 27 27 LYS CA C 13 56.90 0.2 . 1 . . . . . 27 LYS CA . 51829 1 128 . 1 . 1 27 27 LYS CB C 13 32.79 0.2 . 1 . . . . . 27 LYS CB . 51829 1 129 . 1 . 1 27 27 LYS N N 15 124.285 0.2 . 1 . . . . . 27 LYS N . 51829 1 130 . 1 . 1 28 28 GLU H H 1 8.71 0.04 . 1 . . . . . 28 GLU H . 51829 1 131 . 1 . 1 28 28 GLU C C 13 176.37 0.2 . 1 . . . . . 28 GLU C . 51829 1 132 . 1 . 1 28 28 GLU CA C 13 56.97 0.2 . 1 . . . . . 28 GLU CA . 51829 1 133 . 1 . 1 28 28 GLU CB C 13 29.94 0.2 . 1 . . . . . 28 GLU CB . 51829 1 134 . 1 . 1 28 28 GLU N N 15 122.313 0.2 . 1 . . . . . 28 GLU N . 51829 1 135 . 1 . 1 29 29 ASP H H 1 8.30 0.04 . 1 . . . . . 29 ASP H . 51829 1 136 . 1 . 1 29 29 ASP C C 13 176.41 0.2 . 1 . . . . . 29 ASP C . 51829 1 137 . 1 . 1 29 29 ASP CA C 13 54.61 0.2 . 1 . . . . . 29 ASP CA . 51829 1 138 . 1 . 1 29 29 ASP CB C 13 41.11 0.2 . 1 . . . . . 29 ASP CB . 51829 1 139 . 1 . 1 29 29 ASP N N 15 121.484 0.2 . 1 . . . . . 29 ASP N . 51829 1 140 . 1 . 1 30 30 SER H H 1 8.26 0.04 . 1 . . . . . 30 SER H . 51829 1 141 . 1 . 1 30 30 SER C C 13 174.76 0.2 . 1 . . . . . 30 SER C . 51829 1 142 . 1 . 1 30 30 SER CA C 13 58.69 0.2 . 1 . . . . . 30 SER CA . 51829 1 143 . 1 . 1 30 30 SER CB C 13 63.54 0.2 . 1 . . . . . 30 SER CB . 51829 1 144 . 1 . 1 30 30 SER N N 15 116.001 0.2 . 1 . . . . . 30 SER N . 51829 1 145 . 1 . 1 31 31 LEU H H 1 8.17 0.04 . 1 . . . . . 31 LEU H . 51829 1 146 . 1 . 1 31 31 LEU C C 13 178.28 0.2 . 1 . . . . . 31 LEU C . 51829 1 147 . 1 . 1 31 31 LEU CA C 13 55.76 0.2 . 1 . . . . . 31 LEU CA . 51829 1 148 . 1 . 1 31 31 LEU CB C 13 42.31 0.2 . 1 . . . . . 31 LEU CB . 51829 1 149 . 1 . 1 31 31 LEU N N 15 123.593 0.2 . 1 . . . . . 31 LEU N . 51829 1 150 . 1 . 1 32 32 THR H H 1 8.29 0.04 . 1 . . . . . 32 THR H . 51829 1 151 . 1 . 1 32 32 THR C C 13 175.41 0.2 . 1 . . . . . 32 THR C . 51829 1 152 . 1 . 1 32 32 THR CA C 13 62.24 0.2 . 1 . . . . . 32 THR CA . 51829 1 153 . 1 . 1 32 32 THR CB C 13 69.85 0.2 . 1 . . . . . 32 THR CB . 51829 1 154 . 1 . 1 32 32 THR N N 15 114.050 0.2 . 1 . . . . . 32 THR N . 51829 1 155 . 1 . 1 33 33 ALA H H 1 8.52 0.04 . 1 . . . . . 33 ALA H . 51829 1 156 . 1 . 1 33 33 ALA C C 13 179.89 0.2 . 1 . . . . . 33 ALA C . 51829 1 157 . 1 . 1 33 33 ALA CA C 13 54.59 0.2 . 1 . . . . . 33 ALA CA . 51829 1 158 . 1 . 1 33 33 ALA CB C 13 18.34 0.2 . 1 . . . . . 33 ALA CB . 51829 1 159 . 1 . 1 33 33 ALA N N 15 124.685 0.2 . 1 . . . . . 33 ALA N . 51829 1 160 . 1 . 1 34 34 SER H H 1 8.33 0.04 . 1 . . . . . 34 SER H . 51829 1 161 . 1 . 1 34 34 SER C C 13 176.48 0.2 . 1 . . . . . 34 SER C . 51829 1 162 . 1 . 1 34 34 SER CA C 13 60.14 0.2 . 1 . . . . . 34 SER CA . 51829 1 163 . 1 . 1 34 34 SER CB C 13 62.88 0.2 . 1 . . . . . 34 SER CB . 51829 1 164 . 1 . 1 34 34 SER N N 15 113.743 0.2 . 1 . . . . . 34 SER N . 51829 1 165 . 1 . 1 35 35 GLN H H 1 8.01 0.04 . 1 . . . . . 35 GLN H . 51829 1 166 . 1 . 1 35 35 GLN C C 13 177.96 0.2 . 1 . . . . . 35 GLN C . 51829 1 167 . 1 . 1 35 35 GLN CA C 13 57.35 0.2 . 1 . . . . . 35 GLN CA . 51829 1 168 . 1 . 1 35 35 GLN CB C 13 28.99 0.2 . 1 . . . . . 35 GLN CB . 51829 1 169 . 1 . 1 35 35 GLN N N 15 122.178 0.2 . 1 . . . . . 35 GLN N . 51829 1 170 . 1 . 1 36 36 ARG H H 1 8.35 0.04 . 1 . . . . . 36 ARG H . 51829 1 171 . 1 . 1 36 36 ARG C C 13 177.21 0.2 . 1 . . . . . 36 ARG C . 51829 1 172 . 1 . 1 36 36 ARG CA C 13 57.87 0.2 . 1 . . . . . 36 ARG CA . 51829 1 173 . 1 . 1 36 36 ARG CB C 13 30.09 0.2 . 1 . . . . . 36 ARG CB . 51829 1 174 . 1 . 1 36 36 ARG N N 15 121.417 0.2 . 1 . . . . . 36 ARG N . 51829 1 175 . 1 . 1 37 37 LYS H H 1 8.09 0.04 . 1 . . . . . 37 LYS H . 51829 1 176 . 1 . 1 37 37 LYS C C 13 178.38 0.2 . 1 . . . . . 37 LYS C . 51829 1 177 . 1 . 1 37 37 LYS CA C 13 57.85 0.2 . 1 . . . . . 37 LYS CA . 51829 1 178 . 1 . 1 37 37 LYS CB C 13 32.62 0.2 . 1 . . . . . 37 LYS CB . 51829 1 179 . 1 . 1 37 37 LYS N N 15 120.852 0.2 . 1 . . . . . 37 LYS N . 51829 1 180 . 1 . 1 38 38 GLN H H 1 8.13 0.04 . 1 . . . . . 38 GLN H . 51829 1 181 . 1 . 1 38 38 GLN C C 13 177.42 0.2 . 1 . . . . . 38 GLN C . 51829 1 182 . 1 . 1 38 38 GLN CA C 13 57.48 0.2 . 1 . . . . . 38 GLN CA . 51829 1 183 . 1 . 1 38 38 GLN CB C 13 29.03 0.2 . 1 . . . . . 38 GLN CB . 51829 1 184 . 1 . 1 38 38 GLN N N 15 120.756 0.2 . 1 . . . . . 38 GLN N . 51829 1 185 . 1 . 1 39 39 ARG H H 1 8.31 0.04 . 1 . . . . . 39 ARG H . 51829 1 186 . 1 . 1 39 39 ARG C C 13 177.67 0.2 . 1 . . . . . 39 ARG C . 51829 1 187 . 1 . 1 39 39 ARG CA C 13 57.68 0.2 . 1 . . . . . 39 ARG CA . 51829 1 188 . 1 . 1 39 39 ARG CB C 13 29.71 0.2 . 1 . . . . . 39 ARG CB . 51829 1 189 . 1 . 1 39 39 ARG N N 15 121.549 0.2 . 1 . . . . . 39 ARG N . 51829 1 190 . 1 . 1 40 40 ASP H H 1 8.45 0.04 . 1 . . . . . 40 ASP H . 51829 1 191 . 1 . 1 40 40 ASP C C 13 178.35 0.2 . 1 . . . . . 40 ASP C . 51829 1 192 . 1 . 1 40 40 ASP CA C 13 56.20 0.2 . 1 . . . . . 40 ASP CA . 51829 1 193 . 1 . 1 40 40 ASP CB C 13 40.41 0.2 . 1 . . . . . 40 ASP CB . 51829 1 194 . 1 . 1 40 40 ASP N N 15 120.550 0.2 . 1 . . . . . 40 ASP N . 51829 1 195 . 1 . 1 41 41 SER H H 1 8.12 0.04 . 1 . . . . . 41 SER H . 51829 1 196 . 1 . 1 41 41 SER C C 13 178.30 0.2 . 1 . . . . . 41 SER C . 51829 1 197 . 1 . 1 41 41 SER CA C 13 59.94 0.2 . 1 . . . . . 41 SER CA . 51829 1 198 . 1 . 1 41 41 SER CB C 13 63.34 0.2 . 1 . . . . . 41 SER CB . 51829 1 199 . 1 . 1 41 41 SER N N 15 115.473 0.2 . 1 . . . . . 41 SER N . 51829 1 200 . 1 . 1 42 42 GLU H H 1 8.18 0.04 . 1 . . . . . 42 GLU H . 51829 1 201 . 1 . 1 42 42 GLU C C 13 178.63 0.2 . 1 . . . . . 42 GLU C . 51829 1 202 . 1 . 1 42 42 GLU CA C 13 58.08 0.2 . 1 . . . . . 42 GLU CA . 51829 1 203 . 1 . 1 42 42 GLU CB C 13 29.90 0.2 . 1 . . . . . 42 GLU CB . 51829 1 204 . 1 . 1 42 42 GLU N N 15 122.753 0.2 . 1 . . . . . 42 GLU N . 51829 1 205 . 1 . 1 43 43 ILE H H 1 8.08 0.04 . 1 . . . . . 43 ILE H . 51829 1 206 . 1 . 1 43 43 ILE C C 13 177.95 0.2 . 1 . . . . . 43 ILE C . 51829 1 207 . 1 . 1 43 43 ILE CA C 13 62.86 0.2 . 1 . . . . . 43 ILE CA . 51829 1 208 . 1 . 1 43 43 ILE CB C 13 38.15 0.2 . 1 . . . . . 43 ILE CB . 51829 1 209 . 1 . 1 43 43 ILE N N 15 120.861 0.2 . 1 . . . . . 43 ILE N . 51829 1 210 . 1 . 1 44 44 MET H H 1 8.16 0.04 . 1 . . . . . 44 MET H . 51829 1 211 . 1 . 1 44 44 MET C C 13 178.10 0.2 . 1 . . . . . 44 MET C . 51829 1 212 . 1 . 1 44 44 MET CA C 13 57.61 0.2 . 1 . . . . . 44 MET CA . 51829 1 213 . 1 . 1 44 44 MET CB C 13 32.26 0.2 . 1 . . . . . 44 MET CB . 51829 1 214 . 1 . 1 44 44 MET N N 15 121.844 0.2 . 1 . . . . . 44 MET N . 51829 1 215 . 1 . 1 45 45 GLN H H 1 8.25 0.04 . 1 . . . . . 45 GLN H . 51829 1 216 . 1 . 1 45 45 GLN C C 13 178.05 0.2 . 1 . . . . . 45 GLN C . 51829 1 217 . 1 . 1 45 45 GLN CA C 13 57.84 0.2 . 1 . . . . . 45 GLN CA . 51829 1 218 . 1 . 1 45 45 GLN CB C 13 28.85 0.2 . 1 . . . . . 45 GLN CB . 51829 1 219 . 1 . 1 45 45 GLN N N 15 120.549 0.2 . 1 . . . . . 45 GLN N . 51829 1 220 . 1 . 1 46 46 GLU H H 1 8.32 0.04 . 1 . . . . . 46 GLU H . 51829 1 221 . 1 . 1 46 46 GLU C C 13 178.68 0.2 . 1 . . . . . 46 GLU C . 51829 1 222 . 1 . 1 46 46 GLU N N 15 121.208 0.2 . 1 . . . . . 46 GLU N . 51829 1 223 . 1 . 1 49 49 LYS CA C 13 57.49 0.2 . 1 . . . . . 49 LYS CA . 51829 1 224 . 1 . 1 49 49 LYS CB C 13 32.76 0.2 . 1 . . . . . 49 LYS CB . 51829 1 225 . 1 . 1 50 50 ALA H H 1 8.17 0.04 . 1 . . . . . 50 ALA H . 51829 1 226 . 1 . 1 50 50 ALA C C 13 179.15 0.2 . 1 . . . . . 50 ALA C . 51829 1 227 . 1 . 1 50 50 ALA CA C 13 53.18 0.2 . 1 . . . . . 50 ALA CA . 51829 1 228 . 1 . 1 50 50 ALA CB C 13 18.64 0.2 . 1 . . . . . 50 ALA CB . 51829 1 229 . 1 . 1 50 50 ALA N N 15 123.592 0.2 . 1 . . . . . 50 ALA N . 51829 1 230 . 1 . 1 51 51 ALA H H 1 8.12 0.04 . 1 . . . . . 51 ALA H . 51829 1 231 . 1 . 1 51 51 ALA C C 13 178.99 0.2 . 1 . . . . . 51 ALA C . 51829 1 232 . 1 . 1 51 51 ALA CA C 13 53.41 0.2 . 1 . . . . . 51 ALA CA . 51829 1 233 . 1 . 1 51 51 ALA CB C 13 18.80 0.2 . 1 . . . . . 51 ALA CB . 51829 1 234 . 1 . 1 51 51 ALA N N 15 122.245 0.2 . 1 . . . . . 51 ALA N . 51829 1 235 . 1 . 1 52 52 ASN H H 1 8.25 0.04 . 1 . . . . . 52 ASN H . 51829 1 236 . 1 . 1 52 52 ASN C C 13 176.34 0.2 . 1 . . . . . 52 ASN C . 51829 1 237 . 1 . 1 52 52 ASN CA C 13 54.01 0.2 . 1 . . . . . 52 ASN CA . 51829 1 238 . 1 . 1 52 52 ASN CB C 13 38.68 0.2 . 1 . . . . . 52 ASN CB . 51829 1 239 . 1 . 1 52 52 ASN N N 15 117.158 0.2 . 1 . . . . . 52 ASN N . 51829 1 240 . 1 . 1 53 53 GLU H H 1 8.19 0.04 . 1 . . . . . 53 GLU H . 51829 1 241 . 1 . 1 53 53 GLU C C 13 177.23 0.2 . 1 . . . . . 53 GLU C . 51829 1 242 . 1 . 1 53 53 GLU CA C 13 57.57 0.2 . 1 . . . . . 53 GLU CA . 51829 1 243 . 1 . 1 53 53 GLU CB C 13 29.96 0.2 . 1 . . . . . 53 GLU CB . 51829 1 244 . 1 . 1 53 53 GLU N N 15 121.156 0.2 . 1 . . . . . 53 GLU N . 51829 1 245 . 1 . 1 56 56 SER H H 1 8.28 0.04 . 1 . . . . . 56 SER H . 51829 1 246 . 1 . 1 56 56 SER C C 13 174.81 0.2 . 1 . . . . . 56 SER C . 51829 1 247 . 1 . 1 56 56 SER CA C 13 58.67 0.2 . 1 . . . . . 56 SER CA . 51829 1 248 . 1 . 1 56 56 SER CB C 13 63.60 0.2 . 1 . . . . . 56 SER CB . 51829 1 249 . 1 . 1 56 56 SER N N 15 116.501 0.2 . 1 . . . . . 56 SER N . 51829 1 250 . 1 . 1 57 57 MET H H 1 8.34 0.04 . 1 . . . . . 57 MET H . 51829 1 251 . 1 . 1 57 57 MET C C 13 175.51 0.2 . 1 . . . . . 57 MET C . 51829 1 252 . 1 . 1 57 57 MET CA C 13 56.69 0.2 . 1 . . . . . 57 MET CA . 51829 1 253 . 1 . 1 57 57 MET CB C 13 32.54 0.2 . 1 . . . . . 57 MET CB . 51829 1 254 . 1 . 1 57 57 MET N N 15 121.931 0.2 . 1 . . . . . 57 MET N . 51829 1 255 . 1 . 1 58 58 GLN C C 13 176.13 0.2 . 1 . . . . . 58 GLN C . 51829 1 256 . 1 . 1 58 58 GLN CA C 13 56.31 0.2 . 1 . . . . . 58 GLN CA . 51829 1 257 . 1 . 1 58 58 GLN CB C 13 29.34 0.2 . 1 . . . . . 58 GLN CB . 51829 1 258 . 1 . 1 59 59 THR H H 1 8.19 0.04 . 1 . . . . . 59 THR H . 51829 1 259 . 1 . 1 59 59 THR C C 13 174.12 0.2 . 1 . . . . . 59 THR C . 51829 1 260 . 1 . 1 59 59 THR CA C 13 61.89 0.2 . 1 . . . . . 59 THR CA . 51829 1 261 . 1 . 1 59 59 THR CB C 13 69.77 0.2 . 1 . . . . . 59 THR CB . 51829 1 262 . 1 . 1 59 59 THR N N 15 115.850 0.2 . 1 . . . . . 59 THR N . 51829 1 263 . 1 . 1 60 60 ARG H H 1 8.35 0.04 . 1 . . . . . 60 ARG H . 51829 1 264 . 1 . 1 60 60 ARG C C 13 175.92 0.2 . 1 . . . . . 60 ARG C . 51829 1 265 . 1 . 1 60 60 ARG CA C 13 55.82 0.2 . 1 . . . . . 60 ARG CA . 51829 1 266 . 1 . 1 60 60 ARG CB C 13 30.88 0.2 . 1 . . . . . 60 ARG CB . 51829 1 267 . 1 . 1 60 60 ARG N N 15 123.413 0.2 . 1 . . . . . 60 ARG N . 51829 1 268 . 1 . 1 61 61 GLU H H 1 8.53 0.04 . 1 . . . . . 61 GLU H . 51829 1 269 . 1 . 1 61 61 GLU C C 13 175.28 0.2 . 1 . . . . . 61 GLU C . 51829 1 270 . 1 . 1 61 61 GLU CA C 13 56.89 0.2 . 1 . . . . . 61 GLU CA . 51829 1 271 . 1 . 1 61 61 GLU CB C 13 30.26 0.2 . 1 . . . . . 61 GLU CB . 51829 1 272 . 1 . 1 61 61 GLU N N 15 122.938 0.2 . 1 . . . . . 61 GLU N . 51829 1 273 . 1 . 1 62 62 LYS H H 1 7.94 0.04 . 1 . . . . . 62 LYS H . 51829 1 274 . 1 . 1 62 62 LYS C C 13 180.91 0.2 . 1 . . . . . 62 LYS C . 51829 1 275 . 1 . 1 62 62 LYS CA C 13 57.74 0.2 . 1 . . . . . 62 LYS CA . 51829 1 276 . 1 . 1 62 62 LYS CB C 13 33.48 0.2 . 1 . . . . . 62 LYS CB . 51829 1 277 . 1 . 1 62 62 LYS N N 15 126.625 0.2 . 1 . . . . . 62 LYS N . 51829 1 stop_ save_