data_52619 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52619 _Entry.Title ; Backbone and side chain 1H, 13C, 15N Chemical Shift Assignments for S. cerevisiae SERF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-27 _Entry.Accession_date 2024-09-27 _Entry.Last_release_date 2024-09-27 _Entry.Original_release_date 2024-09-27 _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 Emery Usher . T. . 0000-0002-8303-9992 52619 2 Rishav Mitra . . . 0000-0002-8898-7289 52619 3 Scott Showalter . A. . 0000-0001-5179-032X 52619 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52619 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 52619 '15N chemical shifts' 67 52619 '1H chemical shifts' 128 52619 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2025-01-21 2024-09-27 update BMRB 'update entry citation' 52619 1 . . 2024-11-11 2024-09-27 original author 'original release' 52619 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52619 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39589885 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular insights into the interaction between a disordered protein and a folded RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue 49 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2409139121 _Citation.Page_last e2409139121 _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 Rishav Mitra R. . . . 52619 1 2 Emery Usher E. T. . . 52619 1 3 Selin Dedeoglu S. . . . 52619 1 4 Matthew Crotteau M. J. . . 52619 1 5 Olivia Fraser O. A. . . 52619 1 6 Neela Yennawar N. H. . . 52619 1 7 Varun Gadkari V. V. . . 52619 1 8 Brandon Ruotolo B. T. . . 52619 1 9 Alex Holehouse A. S. . . 52619 1 10 Loic Salmon L. . . . 52619 1 11 Scott Showalter S. A. . . 52619 1 12 James Bardwell . . . . 52619 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52619 _Assembly.ID 1 _Assembly.Name SERF _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 SERF 1 $entity_1 . . yes native no no . . . 52619 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52619 _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 ; MARGNQRDLARQKNLKKQKD MAKNQKKSGDPKKRMESDAE ILRQKQAAADARREAEKLEK LKAEKTRR ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q3E7B7 . 'SERF-like protein YDL085C-A' . . . . . . . . . . . . . . 52619 1 stop_ 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 . 52619 1 2 . ALA . 52619 1 3 . ARG . 52619 1 4 . GLY . 52619 1 5 . ASN . 52619 1 6 . GLN . 52619 1 7 . ARG . 52619 1 8 . ASP . 52619 1 9 . LEU . 52619 1 10 . ALA . 52619 1 11 . ARG . 52619 1 12 . GLN . 52619 1 13 . LYS . 52619 1 14 . ASN . 52619 1 15 . LEU . 52619 1 16 . LYS . 52619 1 17 . LYS . 52619 1 18 . GLN . 52619 1 19 . LYS . 52619 1 20 . ASP . 52619 1 21 . MET . 52619 1 22 . ALA . 52619 1 23 . LYS . 52619 1 24 . ASN . 52619 1 25 . GLN . 52619 1 26 . LYS . 52619 1 27 . LYS . 52619 1 28 . SER . 52619 1 29 . GLY . 52619 1 30 . ASP . 52619 1 31 . PRO . 52619 1 32 . LYS . 52619 1 33 . LYS . 52619 1 34 . ARG . 52619 1 35 . MET . 52619 1 36 . GLU . 52619 1 37 . SER . 52619 1 38 . ASP . 52619 1 39 . ALA . 52619 1 40 . GLU . 52619 1 41 . ILE . 52619 1 42 . LEU . 52619 1 43 . ARG . 52619 1 44 . GLN . 52619 1 45 . LYS . 52619 1 46 . GLN . 52619 1 47 . ALA . 52619 1 48 . ALA . 52619 1 49 . ALA . 52619 1 50 . ASP . 52619 1 51 . ALA . 52619 1 52 . ARG . 52619 1 53 . ARG . 52619 1 54 . GLU . 52619 1 55 . ALA . 52619 1 56 . GLU . 52619 1 57 . LYS . 52619 1 58 . LEU . 52619 1 59 . GLU . 52619 1 60 . LYS . 52619 1 61 . LEU . 52619 1 62 . LYS . 52619 1 63 . ALA . 52619 1 64 . GLU . 52619 1 65 . LYS . 52619 1 66 . THR . 52619 1 67 . ARG . 52619 1 68 . ARG . 52619 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 52619 1 . ALA 2 2 52619 1 . ARG 3 3 52619 1 . GLY 4 4 52619 1 . ASN 5 5 52619 1 . GLN 6 6 52619 1 . ARG 7 7 52619 1 . ASP 8 8 52619 1 . LEU 9 9 52619 1 . ALA 10 10 52619 1 . ARG 11 11 52619 1 . GLN 12 12 52619 1 . LYS 13 13 52619 1 . ASN 14 14 52619 1 . LEU 15 15 52619 1 . LYS 16 16 52619 1 . LYS 17 17 52619 1 . GLN 18 18 52619 1 . LYS 19 19 52619 1 . ASP 20 20 52619 1 . MET 21 21 52619 1 . ALA 22 22 52619 1 . LYS 23 23 52619 1 . ASN 24 24 52619 1 . GLN 25 25 52619 1 . LYS 26 26 52619 1 . LYS 27 27 52619 1 . SER 28 28 52619 1 . GLY 29 29 52619 1 . ASP 30 30 52619 1 . PRO 31 31 52619 1 . LYS 32 32 52619 1 . LYS 33 33 52619 1 . ARG 34 34 52619 1 . MET 35 35 52619 1 . GLU 36 36 52619 1 . SER 37 37 52619 1 . ASP 38 38 52619 1 . ALA 39 39 52619 1 . GLU 40 40 52619 1 . ILE 41 41 52619 1 . LEU 42 42 52619 1 . ARG 43 43 52619 1 . GLN 44 44 52619 1 . LYS 45 45 52619 1 . GLN 46 46 52619 1 . ALA 47 47 52619 1 . ALA 48 48 52619 1 . ALA 49 49 52619 1 . ASP 50 50 52619 1 . ALA 51 51 52619 1 . ARG 52 52 52619 1 . ARG 53 53 52619 1 . GLU 54 54 52619 1 . ALA 55 55 52619 1 . GLU 56 56 52619 1 . LYS 57 57 52619 1 . LEU 58 58 52619 1 . GLU 59 59 52619 1 . LYS 60 60 52619 1 . LEU 61 61 52619 1 . LYS 62 62 52619 1 . ALA 63 63 52619 1 . GLU 64 64 52619 1 . LYS 65 65 52619 1 . THR 66 66 52619 1 . ARG 67 67 52619 1 . ARG 68 68 52619 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 52619 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 52619 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 52619 _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 . . pET28 . . . 52619 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52619 _Sample.ID 1 _Sample.Name SERF _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM SERF, 50 mM potassium phosphate, pH 6.5, 50 mM potassium chloride, 0.01% sodium azide, 1 mM magnesium chloride, 5% D2O.' _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 SERF '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.9 0.8 1.0 mM . . . . 52619 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52619 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52619 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 52619 1 5 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 52619 1 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52619 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 52619 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SERF NMR conditions' _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 6.5 . pH 52619 1 pressure 1 . atm 52619 1 temperature 293 . K 52619 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52619 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52619 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52619 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52619 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52619 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52619 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52619 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52619 4 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 52619 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'PSU NEO600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52619 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'UMich 600' _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 52619 _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 . . . . . . . . . . . . . . . . . 52619 1 2 '2D 13C-15N CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 3 '2D 13C-15N (HACA)CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 4 '3D (HACA)N(CA)CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 5 '3D (HACA)N(CA)NCO-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 6 '3D (H)CCCON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 7 '3D H(CC)CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 8 '2D CAS-(CA)CON-ALA-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 9 '2D CAS-(CA)NCO-ALA-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 10 '2D CAS-(CA)CON-ASP-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 11 '2D CAS-(CA)NCO-ASP-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 12 '2D CAS-(CA)CON-GLU-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 13 '2D CAS-(CA)NCO-GLU-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52619 1 14 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52619 1 15 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52619 1 16 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52619 1 17 '2D 13C-15N CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52619 1 18 '2D 13C-15N (HACA)CON-IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52619 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 52619 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name N/A _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 na na . . . . na 0 na indirect 1 . . . . . 52619 1 H 1 na na . . . . na 0 na indirect 1 . . . . . 52619 1 N 15 na na . . . . na 0 na indirect 1 . . . . . 52619 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 52619 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'S. cerevisiae SERF' _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' . . . 52619 1 2 '2D 13C-15N CON-IPAP' . . . 52619 1 3 '2D 13C-15N (HACA)CON-IPAP' . . . 52619 1 4 '3D (HACA)N(CA)CON-IPAP' . . . 52619 1 5 '3D (HACA)N(CA)NCO-IPAP' . . . 52619 1 6 '3D (H)CCCON-IPAP' . . . 52619 1 7 '3D H(CC)CON-IPAP' . . . 52619 1 8 '2D CAS-(CA)CON-ALA-IPAP' . . . 52619 1 9 '2D CAS-(CA)NCO-ALA-IPAP' . . . 52619 1 10 '2D CAS-(CA)CON-ASP-IPAP' . . . 52619 1 11 '2D CAS-(CA)NCO-ASP-IPAP' . . . 52619 1 12 '2D CAS-(CA)CON-GLU-IPAP' . . . 52619 1 13 '2D CAS-(CA)NCO-GLU-IPAP' . . . 52619 1 14 '3D HNCO' . . . 52619 1 15 '3D HN(CA)CO' . . . 52619 1 16 '2D 1H-15N HSQC' . . . 52619 1 17 '2D 13C-15N CON-IPAP' . . . 52619 1 18 '2D 13C-15N (HACA)CON-IPAP' . . . 52619 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 . . 52619 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 HA H 1 3.934 . . 1 . . . . . 1 MET HA . 52619 1 2 . 1 . 1 1 1 MET C C 13 170.6 . . 1 . . . . . 1 MET C . 52619 1 3 . 1 . 1 1 1 MET CA C 13 52.26 . . 1 . . . . . 1 MET CA . 52619 1 4 . 1 . 1 1 1 MET CB C 13 30.65 . . 1 . . . . . 1 MET CB . 52619 1 5 . 1 . 1 2 2 ALA HA H 1 4.328 . . 1 . . . . . 2 ALA HA . 52619 1 6 . 1 . 1 2 2 ALA C C 13 174.6 . . 1 . . . . . 2 ALA C . 52619 1 7 . 1 . 1 2 2 ALA CA C 13 48.96 . . 1 . . . . . 2 ALA CA . 52619 1 8 . 1 . 1 2 2 ALA CB C 13 16.47 . . 1 . . . . . 2 ALA CB . 52619 1 9 . 1 . 1 2 2 ALA N N 15 127.5 . . 1 . . . . . 2 ALA N . 52619 1 10 . 1 . 1 3 3 ARG H H 1 8.435 . . 1 . . . . . 3 ARG H . 52619 1 11 . 1 . 1 3 3 ARG HA H 1 4.263 . . 1 . . . . . 3 ARG HA . 52619 1 12 . 1 . 1 3 3 ARG C C 13 174.2 . . 1 . . . . . 3 ARG C . 52619 1 13 . 1 . 1 3 3 ARG CA C 13 53.37 . . 1 . . . . . 3 ARG CA . 52619 1 14 . 1 . 1 3 3 ARG CB C 13 28.27 . . 1 . . . . . 3 ARG CB . 52619 1 15 . 1 . 1 3 3 ARG CG C 13 24.3 . . 1 . . . . . 3 ARG CG . 52619 1 16 . 1 . 1 3 3 ARG CD C 13 40.58 . . 1 . . . . . 3 ARG CD . 52619 1 17 . 1 . 1 3 3 ARG N N 15 121.1 . . 1 . . . . . 3 ARG N . 52619 1 18 . 1 . 1 4 4 GLY H H 1 8.405 . . 1 . . . . . 4 GLY H . 52619 1 19 . 1 . 1 4 4 GLY C C 13 171.2 . . 1 . . . . . 4 GLY C . 52619 1 20 . 1 . 1 4 4 GLY CA C 13 42.63 . . 1 . . . . . 4 GLY CA . 52619 1 21 . 1 . 1 4 4 GLY N N 15 109.8 . . 1 . . . . . 4 GLY N . 52619 1 22 . 1 . 1 5 5 ASN H H 1 8.348 . . 1 . . . . . 5 ASN H . 52619 1 23 . 1 . 1 5 5 ASN HA H 1 4.652 . . 1 . . . . . 5 ASN HA . 52619 1 24 . 1 . 1 5 5 ASN C C 13 172.9 . . 1 . . . . . 5 ASN C . 52619 1 25 . 1 . 1 5 5 ASN CA C 13 50.35 . . 1 . . . . . 5 ASN CA . 52619 1 26 . 1 . 1 5 5 ASN CB C 13 36.16 . . 1 . . . . . 5 ASN CB . 52619 1 27 . 1 . 1 5 5 ASN N N 15 118.8 . . 1 . . . . . 5 ASN N . 52619 1 28 . 1 . 1 6 6 GLN H H 1 8.431 . . 1 . . . . . 6 GLN H . 52619 1 29 . 1 . 1 6 6 GLN HA H 1 4.15 . . 1 . . . . . 6 GLN HA . 52619 1 30 . 1 . 1 6 6 GLN C C 13 174 . . 1 . . . . . 6 GLN C . 52619 1 31 . 1 . 1 6 6 GLN CA C 13 54.12 . . 1 . . . . . 6 GLN CA . 52619 1 32 . 1 . 1 6 6 GLN CB C 13 26.2 . . 1 . . . . . 6 GLN CB . 52619 1 33 . 1 . 1 6 6 GLN CG C 13 31.03 . . 1 . . . . . 6 GLN CG . 52619 1 34 . 1 . 1 6 6 GLN N N 15 121 . . 1 . . . . . 6 GLN N . 52619 1 35 . 1 . 1 7 7 ARG H H 1 8.278 . . 1 . . . . . 7 ARG H . 52619 1 36 . 1 . 1 7 7 ARG HA H 1 4.153 . . 1 . . . . . 7 ARG HA . 52619 1 37 . 1 . 1 7 7 ARG C C 13 174 . . 1 . . . . . 7 ARG C . 52619 1 38 . 1 . 1 7 7 ARG CA C 13 54.28 . . 1 . . . . . 7 ARG CA . 52619 1 39 . 1 . 1 7 7 ARG CB C 13 27.7 . . 1 . . . . . 7 ARG CB . 52619 1 40 . 1 . 1 7 7 ARG CG C 13 24.2 . . 1 . . . . . 7 ARG CG . 52619 1 41 . 1 . 1 7 7 ARG CD C 13 40.61 . . 1 . . . . . 7 ARG CD . 52619 1 42 . 1 . 1 7 7 ARG N N 15 121.3 . . 1 . . . . . 7 ARG N . 52619 1 43 . 1 . 1 8 8 ASP H H 1 8.178 . . 1 . . . . . 8 ASP H . 52619 1 44 . 1 . 1 8 8 ASP C C 13 174.3 . . 1 . . . . . 8 ASP C . 52619 1 45 . 1 . 1 8 8 ASP CA C 13 51.97 . . 1 . . . . . 8 ASP CA . 52619 1 46 . 1 . 1 8 8 ASP CB C 13 38.18 . . 1 . . . . . 8 ASP CB . 52619 1 47 . 1 . 1 8 8 ASP N N 15 120.8 . . 1 . . . . . 8 ASP N . 52619 1 48 . 1 . 1 9 9 LEU H H 1 8.051 . . 1 . . . . . 9 LEU H . 52619 1 49 . 1 . 1 9 9 LEU HA H 1 4.111 . . 1 . . . . . 9 LEU HA . 52619 1 50 . 1 . 1 9 9 LEU C C 13 175.5 . . 1 . . . . . 9 LEU C . 52619 1 51 . 1 . 1 9 9 LEU CA C 13 53.39 . . 1 . . . . . 9 LEU CA . 52619 1 52 . 1 . 1 9 9 LEU CB C 13 39.14 . . 1 . . . . . 9 LEU CB . 52619 1 53 . 1 . 1 9 9 LEU CG C 13 24.1 . . 1 . . . . . 9 LEU CG . 52619 1 54 . 1 . 1 9 9 LEU N N 15 122.5 . . 1 . . . . . 9 LEU N . 52619 1 55 . 1 . 1 10 10 ALA H H 1 8.055 . . 1 . . . . . 10 ALA H . 52619 1 56 . 1 . 1 10 10 ALA HA H 1 4.148 . . 1 . . . . . 10 ALA HA . 52619 1 57 . 1 . 1 10 10 ALA C C 13 175.9 . . 1 . . . . . 10 ALA C . 52619 1 58 . 1 . 1 10 10 ALA CA C 13 50.74 . . 1 . . . . . 10 ALA CA . 52619 1 59 . 1 . 1 10 10 ALA CB C 13 15.83 . . 1 . . . . . 10 ALA CB . 52619 1 60 . 1 . 1 10 10 ALA N N 15 122.7 . . 1 . . . . . 10 ALA N . 52619 1 61 . 1 . 1 11 11 ARG H H 1 7.892 . . 1 . . . . . 11 ARG H . 52619 1 62 . 1 . 1 11 11 ARG HA H 1 4.151 . . 1 . . . . . 11 ARG HA . 52619 1 63 . 1 . 1 11 11 ARG C C 13 174.5 . . 1 . . . . . 11 ARG C . 52619 1 64 . 1 . 1 11 11 ARG CA C 13 54.25 . . 1 . . . . . 11 ARG CA . 52619 1 65 . 1 . 1 11 11 ARG CB C 13 27.66 . . 1 . . . . . 11 ARG CB . 52619 1 66 . 1 . 1 11 11 ARG CG C 13 24.38 . . 1 . . . . . 11 ARG CG . 52619 1 67 . 1 . 1 11 11 ARG CD C 13 40.63 . . 1 . . . . . 11 ARG CD . 52619 1 68 . 1 . 1 11 11 ARG N N 15 118.8 . . 1 . . . . . 11 ARG N . 52619 1 69 . 1 . 1 12 12 GLN H H 1 8.088 . . 1 . . . . . 12 GLN H . 52619 1 70 . 1 . 1 12 12 GLN HA H 1 4.146 . . 1 . . . . . 12 GLN HA . 52619 1 71 . 1 . 1 12 12 GLN C C 13 174.1 . . 1 . . . . . 12 GLN C . 52619 1 72 . 1 . 1 12 12 GLN CA C 13 53.93 . . 1 . . . . . 12 GLN CA . 52619 1 73 . 1 . 1 12 12 GLN CB C 13 26.33 . . 1 . . . . . 12 GLN CB . 52619 1 74 . 1 . 1 12 12 GLN CG C 13 31.04 . . 1 . . . . . 12 GLN CG . 52619 1 75 . 1 . 1 12 12 GLN N N 15 119.9 . . 1 . . . . . 12 GLN N . 52619 1 76 . 1 . 1 13 13 LYS H H 1 8.155 . . 1 . . . . . 13 LYS H . 52619 1 77 . 1 . 1 13 13 LYS HA H 1 4.132 . . 1 . . . . . 13 LYS HA . 52619 1 78 . 1 . 1 13 13 LYS C C 13 174.2 . . 1 . . . . . 13 LYS C . 52619 1 79 . 1 . 1 13 13 LYS CA C 13 54.51 . . 1 . . . . . 13 LYS CA . 52619 1 80 . 1 . 1 13 13 LYS CB C 13 30.17 . . 1 . . . . . 13 LYS CB . 52619 1 81 . 1 . 1 13 13 LYS CG C 13 22.13 . . 1 . . . . . 13 LYS CG . 52619 1 82 . 1 . 1 13 13 LYS CD C 13 26.6 . . 1 . . . . . 13 LYS CD . 52619 1 83 . 1 . 1 13 13 LYS N N 15 121.4 . . 1 . . . . . 13 LYS N . 52619 1 84 . 1 . 1 14 14 ASN H H 1 8.248 . . 1 . . . . . 14 ASN H . 52619 1 85 . 1 . 1 14 14 ASN HA H 1 4.585 . . 1 . . . . . 14 ASN HA . 52619 1 86 . 1 . 1 14 14 ASN C C 13 172.9 . . 1 . . . . . 14 ASN C . 52619 1 87 . 1 . 1 14 14 ASN CA C 13 50.9 . . 1 . . . . . 14 ASN CA . 52619 1 88 . 1 . 1 14 14 ASN CB C 13 35.86 . . 1 . . . . . 14 ASN CB . 52619 1 89 . 1 . 1 14 14 ASN N N 15 118.8 . . 1 . . . . . 14 ASN N . 52619 1 90 . 1 . 1 15 15 LEU H H 1 8.046 . . 1 . . . . . 15 LEU H . 52619 1 91 . 1 . 1 15 15 LEU HA H 1 4.186 . . 1 . . . . . 15 LEU HA . 52619 1 92 . 1 . 1 15 15 LEU C C 13 175.1 . . 1 . . . . . 15 LEU C . 52619 1 93 . 1 . 1 15 15 LEU CA C 13 53.03 . . 1 . . . . . 15 LEU CA . 52619 1 94 . 1 . 1 15 15 LEU CB C 13 39.48 . . 1 . . . . . 15 LEU CB . 52619 1 95 . 1 . 1 15 15 LEU CG C 13 24.11 . . 1 . . . . . 15 LEU CG . 52619 1 96 . 1 . 1 15 15 LEU N N 15 122.4 . . 1 . . . . . 15 LEU N . 52619 1 97 . 1 . 1 16 16 LYS H H 1 8.07 . . 1 . . . . . 16 LYS H . 52619 1 98 . 1 . 1 16 16 LYS HA H 1 4.153 . . 1 . . . . . 16 LYS HA . 52619 1 99 . 1 . 1 16 16 LYS C C 13 174.2 . . 1 . . . . . 16 LYS C . 52619 1 100 . 1 . 1 16 16 LYS CA C 13 54.04 . . 1 . . . . . 16 LYS CA . 52619 1 101 . 1 . 1 16 16 LYS CB C 13 30.11 . . 1 . . . . . 16 LYS CB . 52619 1 102 . 1 . 1 16 16 LYS CG C 13 22.14 . . 1 . . . . . 16 LYS CG . 52619 1 103 . 1 . 1 16 16 LYS CD C 13 26.52 . . 1 . . . . . 16 LYS CD . 52619 1 104 . 1 . 1 16 16 LYS CE C 13 39.23 . . 1 . . . . . 16 LYS CE . 52619 1 105 . 1 . 1 16 16 LYS N N 15 121.4 . . 1 . . . . . 16 LYS N . 52619 1 106 . 1 . 1 17 17 LYS H H 1 8.081 . . 1 . . . . . 17 LYS H . 52619 1 107 . 1 . 1 17 17 LYS HA H 1 4.171 . . 1 . . . . . 17 LYS HA . 52619 1 108 . 1 . 1 17 17 LYS C C 13 174.3 . . 1 . . . . . 17 LYS C . 52619 1 109 . 1 . 1 17 17 LYS CA C 13 54 . . 1 . . . . . 17 LYS CA . 52619 1 110 . 1 . 1 17 17 LYS CB C 13 30.18 . . 1 . . . . . 17 LYS CB . 52619 1 111 . 1 . 1 17 17 LYS CG C 13 22.1 . . 1 . . . . . 17 LYS CG . 52619 1 112 . 1 . 1 17 17 LYS CD C 13 26.58 . . 1 . . . . . 17 LYS CD . 52619 1 113 . 1 . 1 17 17 LYS N N 15 121.7 . . 1 . . . . . 17 LYS N . 52619 1 114 . 1 . 1 18 18 GLN H H 1 8.218 . . 1 . . . . . 18 GLN H . 52619 1 115 . 1 . 1 18 18 GLN HA H 1 4.173 . . 1 . . . . . 18 GLN HA . 52619 1 116 . 1 . 1 18 18 GLN C C 13 173.9 . . 1 . . . . . 18 GLN C . 52619 1 117 . 1 . 1 18 18 GLN CA C 13 53.63 . . 1 . . . . . 18 GLN CA . 52619 1 118 . 1 . 1 18 18 GLN CB C 13 26.59 . . 1 . . . . . 18 GLN CB . 52619 1 119 . 1 . 1 18 18 GLN CG C 13 31.05 . . 1 . . . . . 18 GLN CG . 52619 1 120 . 1 . 1 18 18 GLN N N 15 121.2 . . 1 . . . . . 18 GLN N . 52619 1 121 . 1 . 1 19 19 LYS H H 1 8.258 . . 1 . . . . . 19 LYS H . 52619 1 122 . 1 . 1 19 19 LYS HA H 1 4.146 . . 1 . . . . . 19 LYS HA . 52619 1 123 . 1 . 1 19 19 LYS C C 13 174 . . 1 . . . . . 19 LYS C . 52619 1 124 . 1 . 1 19 19 LYS CA C 13 54.29 . . 1 . . . . . 19 LYS CA . 52619 1 125 . 1 . 1 19 19 LYS CB C 13 30.35 . . 1 . . . . . 19 LYS CB . 52619 1 126 . 1 . 1 19 19 LYS CG C 13 22.04 . . 1 . . . . . 19 LYS CG . 52619 1 127 . 1 . 1 19 19 LYS CD C 13 26.43 . . 1 . . . . . 19 LYS CD . 52619 1 128 . 1 . 1 19 19 LYS N N 15 122.3 . . 1 . . . . . 19 LYS N . 52619 1 129 . 1 . 1 20 20 ASP H H 1 8.274 . . 1 . . . . . 20 ASP H . 52619 1 130 . 1 . 1 20 20 ASP HA H 1 4.17 . . 1 . . . . . 20 ASP HA . 52619 1 131 . 1 . 1 20 20 ASP C C 13 174.1 . . 1 . . . . . 20 ASP C . 52619 1 132 . 1 . 1 20 20 ASP CA C 13 51.89 . . 1 . . . . . 20 ASP CA . 52619 1 133 . 1 . 1 20 20 ASP CB C 13 38.27 . . 1 . . . . . 20 ASP CB . 52619 1 134 . 1 . 1 20 20 ASP N N 15 121.2 . . 1 . . . . . 20 ASP N . 52619 1 135 . 1 . 1 21 21 MET H H 1 8.184 . . 1 . . . . . 21 MET H . 52619 1 136 . 1 . 1 21 21 MET HA H 1 4.334 . . 1 . . . . . 21 MET HA . 52619 1 137 . 1 . 1 21 21 MET C C 13 173.9 . . 1 . . . . . 21 MET C . 52619 1 138 . 1 . 1 21 21 MET CA C 13 53.15 . . 1 . . . . . 21 MET CA . 52619 1 139 . 1 . 1 21 21 MET CB C 13 29.3 . . 1 . . . . . 21 MET CB . 52619 1 140 . 1 . 1 21 21 MET N N 15 120.9 . . 1 . . . . . 21 MET N . 52619 1 141 . 1 . 1 22 22 ALA H H 1 8.131 . . 1 . . . . . 22 ALA H . 52619 1 142 . 1 . 1 22 22 ALA HA H 1 4.204 . . 1 . . . . . 22 ALA HA . 52619 1 143 . 1 . 1 22 22 ALA C C 13 175.5 . . 1 . . . . . 22 ALA C . 52619 1 144 . 1 . 1 22 22 ALA CA C 13 49.66 . . 1 . . . . . 22 ALA CA . 52619 1 145 . 1 . 1 22 22 ALA CB C 13 16.17 . . 1 . . . . . 22 ALA CB . 52619 1 146 . 1 . 1 22 22 ALA N N 15 124.1 . . 1 . . . . . 22 ALA N . 52619 1 147 . 1 . 1 23 23 LYS H H 1 8.033 . . 1 . . . . . 23 LYS H . 52619 1 148 . 1 . 1 23 23 LYS HA H 1 4.161 . . 1 . . . . . 23 LYS HA . 52619 1 149 . 1 . 1 23 23 LYS C C 13 174 . . 1 . . . . . 23 LYS C . 52619 1 150 . 1 . 1 23 23 LYS CA C 13 53.96 . . 1 . . . . . 23 LYS CA . 52619 1 151 . 1 . 1 23 23 LYS CB C 13 30.18 . . 1 . . . . . 23 LYS CB . 52619 1 152 . 1 . 1 23 23 LYS CG C 13 22.04 . . 1 . . . . . 23 LYS CG . 52619 1 153 . 1 . 1 23 23 LYS CD C 13 26.87 . . 1 . . . . . 23 LYS CD . 52619 1 154 . 1 . 1 23 23 LYS N N 15 119.5 . . 1 . . . . . 23 LYS N . 52619 1 155 . 1 . 1 24 24 ASN H H 1 8.229 . . 1 . . . . . 24 ASN H . 52619 1 156 . 1 . 1 24 24 ASN HA H 1 4.594 . . 1 . . . . . 24 ASN HA . 52619 1 157 . 1 . 1 24 24 ASN C C 13 172.5 . . 1 . . . . . 24 ASN C . 52619 1 158 . 1 . 1 24 24 ASN CA C 13 50.64 . . 1 . . . . . 24 ASN CA . 52619 1 159 . 1 . 1 24 24 ASN CB C 13 35.97 . . 1 . . . . . 24 ASN CB . 52619 1 160 . 1 . 1 24 24 ASN N N 15 118.6 . . 1 . . . . . 24 ASN N . 52619 1 161 . 1 . 1 25 25 GLN H H 1 8.171 . . 1 . . . . . 25 GLN H . 52619 1 162 . 1 . 1 25 25 GLN HA H 1 4.237 . . 1 . . . . . 25 GLN HA . 52619 1 163 . 1 . 1 25 25 GLN C C 13 173.3 . . 1 . . . . . 25 GLN C . 52619 1 164 . 1 . 1 25 25 GLN CA C 13 53.2 . . 1 . . . . . 25 GLN CA . 52619 1 165 . 1 . 1 25 25 GLN CB C 13 26.73 . . 1 . . . . . 25 GLN CB . 52619 1 166 . 1 . 1 25 25 GLN CG C 13 31.12 . . 1 . . . . . 25 GLN CG . 52619 1 167 . 1 . 1 25 25 GLN N N 15 120.6 . . 1 . . . . . 25 GLN N . 52619 1 168 . 1 . 1 26 26 LYS H H 1 8.246 . . 1 . . . . . 26 LYS H . 52619 1 169 . 1 . 1 26 26 LYS HA H 1 4.22 . . 1 . . . . . 26 LYS HA . 52619 1 170 . 1 . 1 26 26 LYS C C 13 173.9 . . 1 . . . . . 26 LYS C . 52619 1 171 . 1 . 1 26 26 LYS CA C 13 53.62 . . 1 . . . . . 26 LYS CA . 52619 1 172 . 1 . 1 26 26 LYS CB C 13 30.22 . . 1 . . . . . 26 LYS CB . 52619 1 173 . 1 . 1 26 26 LYS CG C 13 22.04 . . 1 . . . . . 26 LYS CG . 52619 1 174 . 1 . 1 26 26 LYS CD C 13 26.59 . . 1 . . . . . 26 LYS CD . 52619 1 175 . 1 . 1 26 26 LYS CE C 13 39.03 . . 1 . . . . . 26 LYS CE . 52619 1 176 . 1 . 1 26 26 LYS N N 15 122.5 . . 1 . . . . . 26 LYS N . 52619 1 177 . 1 . 1 27 27 LYS H H 1 8.32 . . 1 . . . . . 27 LYS H . 52619 1 178 . 1 . 1 27 27 LYS HA H 1 4.28 . . 1 . . . . . 27 LYS HA . 52619 1 179 . 1 . 1 27 27 LYS C C 13 174 . . 1 . . . . . 27 LYS C . 52619 1 180 . 1 . 1 27 27 LYS CA C 13 53.38 . . 1 . . . . . 27 LYS CA . 52619 1 181 . 1 . 1 27 27 LYS CB C 13 30.36 . . 1 . . . . . 27 LYS CB . 52619 1 182 . 1 . 1 27 27 LYS CG C 13 21.98 . . 1 . . . . . 27 LYS CG . 52619 1 183 . 1 . 1 27 27 LYS CD C 13 26.37 . . 1 . . . . . 27 LYS CD . 52619 1 184 . 1 . 1 27 27 LYS N N 15 123 . . 1 . . . . . 27 LYS N . 52619 1 185 . 1 . 1 28 28 SER H H 1 8.297 . . 1 . . . . . 28 SER H . 52619 1 186 . 1 . 1 28 28 SER HA H 1 4.362 . . 1 . . . . . 28 SER HA . 52619 1 187 . 1 . 1 28 28 SER C C 13 172.2 . . 1 . . . . . 28 SER C . 52619 1 188 . 1 . 1 28 28 SER CA C 13 55.67 . . 1 . . . . . 28 SER CA . 52619 1 189 . 1 . 1 28 28 SER CB C 13 61.16 . . 1 . . . . . 28 SER CB . 52619 1 190 . 1 . 1 28 28 SER N N 15 117.3 . . 1 . . . . . 28 SER N . 52619 1 191 . 1 . 1 29 29 GLY H H 1 8.343 . . 1 . . . . . 29 GLY H . 52619 1 192 . 1 . 1 29 29 GLY C C 13 170.7 . . 1 . . . . . 29 GLY C . 52619 1 193 . 1 . 1 29 29 GLY CA C 13 42.2 . . 1 . . . . . 29 GLY CA . 52619 1 194 . 1 . 1 29 29 GLY N N 15 110.8 . . 1 . . . . . 29 GLY N . 52619 1 195 . 1 . 1 30 30 ASP H H 1 8.163 . . 1 . . . . . 30 ASP H . 52619 1 196 . 1 . 1 30 30 ASP HA H 1 4.796 . . 1 . . . . . 30 ASP HA . 52619 1 197 . 1 . 1 30 30 ASP C C 13 172.4 . . 1 . . . . . 30 ASP C . 52619 1 198 . 1 . 1 30 30 ASP CA C 13 49.43 . . 1 . . . . . 30 ASP CA . 52619 1 199 . 1 . 1 30 30 ASP CB C 13 38.54 . . 1 . . . . . 30 ASP CB . 52619 1 200 . 1 . 1 30 30 ASP N N 15 121.7 . . 1 . . . . . 30 ASP N . 52619 1 201 . 1 . 1 31 31 PRO HA H 1 4.32 . . 1 . . . . . 31 PRO HA . 52619 1 202 . 1 . 1 31 31 PRO C C 13 174.8 . . 1 . . . . . 31 PRO C . 52619 1 203 . 1 . 1 31 31 PRO CA C 13 60.91 . . 1 . . . . . 31 PRO CA . 52619 1 204 . 1 . 1 31 31 PRO CB C 13 29.5 . . 1 . . . . . 31 PRO CB . 52619 1 205 . 1 . 1 31 31 PRO CG C 13 24.63 . . 1 . . . . . 31 PRO CG . 52619 1 206 . 1 . 1 31 31 PRO CD C 13 47.84 . . 1 . . . . . 31 PRO CD . 52619 1 207 . 1 . 1 31 31 PRO N N 15 137.8 . . 1 . . . . . 31 PRO N . 52619 1 208 . 1 . 1 32 32 LYS H H 1 8.28 . . 1 . . . . . 32 LYS H . 52619 1 209 . 1 . 1 32 32 LYS HA H 1 4.145 . . 1 . . . . . 32 LYS HA . 52619 1 210 . 1 . 1 32 32 LYS C C 13 174.4 . . 1 . . . . . 32 LYS C . 52619 1 211 . 1 . 1 32 32 LYS CA C 13 54.04 . . 1 . . . . . 32 LYS CA . 52619 1 212 . 1 . 1 32 32 LYS CB C 13 29.79 . . 1 . . . . . 32 LYS CB . 52619 1 213 . 1 . 1 32 32 LYS CG C 13 22.28 . . 1 . . . . . 32 LYS CG . 52619 1 214 . 1 . 1 32 32 LYS CD C 13 26.66 . . 1 . . . . . 32 LYS CD . 52619 1 215 . 1 . 1 32 32 LYS N N 15 119.9 . . 1 . . . . . 32 LYS N . 52619 1 216 . 1 . 1 33 33 LYS H H 1 7.932 . . 1 . . . . . 33 LYS H . 52619 1 217 . 1 . 1 33 33 LYS HA H 1 4.185 . . 1 . . . . . 33 LYS HA . 52619 1 218 . 1 . 1 33 33 LYS C C 13 174 . . 1 . . . . . 33 LYS C . 52619 1 219 . 1 . 1 33 33 LYS CA C 13 53.48 . . 1 . . . . . 33 LYS CA . 52619 1 220 . 1 . 1 33 33 LYS CB C 13 30.22 . . 1 . . . . . 33 LYS CB . 52619 1 221 . 1 . 1 33 33 LYS CG C 13 22.09 . . 1 . . . . . 33 LYS CG . 52619 1 222 . 1 . 1 33 33 LYS CD C 13 26.49 . . 1 . . . . . 33 LYS CD . 52619 1 223 . 1 . 1 33 33 LYS N N 15 121.4 . . 1 . . . . . 33 LYS N . 52619 1 224 . 1 . 1 34 34 ARG H H 1 8.179 . . 1 . . . . . 34 ARG H . 52619 1 225 . 1 . 1 34 34 ARG HA H 1 4.223 . . 1 . . . . . 34 ARG HA . 52619 1 226 . 1 . 1 34 34 ARG C C 13 173.8 . . 1 . . . . . 34 ARG C . 52619 1 227 . 1 . 1 34 34 ARG CA C 13 53.75 . . 1 . . . . . 34 ARG CA . 52619 1 228 . 1 . 1 34 34 ARG CB C 13 27.87 . . 1 . . . . . 34 ARG CB . 52619 1 229 . 1 . 1 34 34 ARG CG C 13 24.25 . . 1 . . . . . 34 ARG CG . 52619 1 230 . 1 . 1 34 34 ARG CD C 13 40.53 . . 1 . . . . . 34 ARG CD . 52619 1 231 . 1 . 1 34 34 ARG N N 15 122.4 . . 1 . . . . . 34 ARG N . 52619 1 232 . 1 . 1 35 35 MET H H 1 8.35 . . 1 . . . . . 35 MET H . 52619 1 233 . 1 . 1 35 35 MET HA H 1 4.362 . . 1 . . . . . 35 MET HA . 52619 1 234 . 1 . 1 35 35 MET C C 13 174.1 . . 1 . . . . . 35 MET C . 52619 1 235 . 1 . 1 35 35 MET CA C 13 53.21 . . 1 . . . . . 35 MET CA . 52619 1 236 . 1 . 1 35 35 MET CB C 13 29.39 . . 1 . . . . . 35 MET CB . 52619 1 237 . 1 . 1 35 35 MET N N 15 121.5 . . 1 . . . . . 35 MET N . 52619 1 238 . 1 . 1 36 36 GLU H H 1 8.391 . . 1 . . . . . 36 GLU H . 52619 1 239 . 1 . 1 36 36 GLU HA H 1 4.239 . . 1 . . . . . 36 GLU HA . 52619 1 240 . 1 . 1 36 36 GLU C C 13 174.1 . . 1 . . . . . 36 GLU C . 52619 1 241 . 1 . 1 36 36 GLU CA C 13 54.32 . . 1 . . . . . 36 GLU CA . 52619 1 242 . 1 . 1 36 36 GLU CB C 13 27.46 . . 1 . . . . . 36 GLU CB . 52619 1 243 . 1 . 1 36 36 GLU CG C 13 33.63 . . 1 . . . . . 36 GLU CG . 52619 1 244 . 1 . 1 36 36 GLU N N 15 121.9 . . 1 . . . . . 36 GLU N . 52619 1 245 . 1 . 1 37 37 SER H H 1 8.34 . . 1 . . . . . 37 SER H . 52619 1 246 . 1 . 1 37 37 SER HA H 1 4.364 . . 1 . . . . . 37 SER HA . 52619 1 247 . 1 . 1 37 37 SER C C 13 172.3 . . 1 . . . . . 37 SER C . 52619 1 248 . 1 . 1 37 37 SER CA C 13 55.85 . . 1 . . . . . 37 SER CA . 52619 1 249 . 1 . 1 37 37 SER CB C 13 61.26 . . 1 . . . . . 37 SER CB . 52619 1 250 . 1 . 1 37 37 SER N N 15 116.7 . . 1 . . . . . 37 SER N . 52619 1 251 . 1 . 1 38 38 ASP H H 1 8.45 . . 1 . . . . . 38 ASP H . 52619 1 252 . 1 . 1 38 38 ASP HA H 1 4.427 . . 1 . . . . . 38 ASP HA . 52619 1 253 . 1 . 1 38 38 ASP C C 13 175.1 . . 1 . . . . . 38 ASP C . 52619 1 254 . 1 . 1 38 38 ASP CA C 13 53.38 . . 1 . . . . . 38 ASP CA . 52619 1 255 . 1 . 1 38 38 ASP CB C 13 37.76 . . 1 . . . . . 38 ASP CB . 52619 1 256 . 1 . 1 38 38 ASP N N 15 122.4 . . 1 . . . . . 38 ASP N . 52619 1 257 . 1 . 1 39 39 ALA H H 1 8.197 . . 1 . . . . . 39 ALA H . 52619 1 258 . 1 . 1 39 39 ALA HA H 1 4.051 . . 1 . . . . . 39 ALA HA . 52619 1 259 . 1 . 1 39 39 ALA C C 13 177.2 . . 1 . . . . . 39 ALA C . 52619 1 260 . 1 . 1 39 39 ALA CA C 13 52.01 . . 1 . . . . . 39 ALA CA . 52619 1 261 . 1 . 1 39 39 ALA CB C 13 15.79 . . 1 . . . . . 39 ALA CB . 52619 1 262 . 1 . 1 39 39 ALA N N 15 122.9 . . 1 . . . . . 39 ALA N . 52619 1 263 . 1 . 1 40 40 GLU H H 1 7.996 . . 1 . . . . . 40 GLU H . 52619 1 264 . 1 . 1 40 40 GLU HA H 1 4.13 . . 1 . . . . . 40 GLU HA . 52619 1 265 . 1 . 1 40 40 GLU C C 13 175.8 . . 1 . . . . . 40 GLU C . 52619 1 266 . 1 . 1 40 40 GLU CA C 13 55.74 . . 1 . . . . . 40 GLU CA . 52619 1 267 . 1 . 1 40 40 GLU CB C 13 26.43 . . 1 . . . . . 40 GLU CB . 52619 1 268 . 1 . 1 40 40 GLU CG C 13 33.11 . . 1 . . . . . 40 GLU CG . 52619 1 269 . 1 . 1 40 40 GLU N N 15 119.8 . . 1 . . . . . 40 GLU N . 52619 1 270 . 1 . 1 41 41 ILE H H 1 7.893 . . 1 . . . . . 41 ILE H . 52619 1 271 . 1 . 1 41 41 ILE HA H 1 3.722 . . 1 . . . . . 41 ILE HA . 52619 1 272 . 1 . 1 41 41 ILE C C 13 176 . . 1 . . . . . 41 ILE C . 52619 1 273 . 1 . 1 41 41 ILE CA C 13 61.23 . . 1 . . . . . 41 ILE CA . 52619 1 274 . 1 . 1 41 41 ILE CB C 13 34.96 . . 1 . . . . . 41 ILE CB . 52619 1 275 . 1 . 1 41 41 ILE CG2 C 13 14.37 . . 1 . . . . . 41 ILE CG2 . 52619 1 276 . 1 . 1 41 41 ILE N N 15 121.2 . . 1 . . . . . 41 ILE N . 52619 1 277 . 1 . 1 42 42 LEU H H 1 7.858 . . 1 . . . . . 42 LEU H . 52619 1 278 . 1 . 1 42 42 LEU HA H 1 4.035 . . 1 . . . . . 42 LEU HA . 52619 1 279 . 1 . 1 42 42 LEU C C 13 176.6 . . 1 . . . . . 42 LEU C . 52619 1 280 . 1 . 1 42 42 LEU CA C 13 54.95 . . 1 . . . . . 42 LEU CA . 52619 1 281 . 1 . 1 42 42 LEU CB C 13 38.79 . . 1 . . . . . 42 LEU CB . 52619 1 282 . 1 . 1 42 42 LEU CG C 13 24.21 . . 1 . . . . . 42 LEU CG . 52619 1 283 . 1 . 1 42 42 LEU N N 15 120.9 . . 1 . . . . . 42 LEU N . 52619 1 284 . 1 . 1 43 43 ARG H H 1 7.932 . . 1 . . . . . 43 ARG H . 52619 1 285 . 1 . 1 43 43 ARG HA H 1 4.053 . . 1 . . . . . 43 ARG HA . 52619 1 286 . 1 . 1 43 43 ARG C C 13 176.5 . . 1 . . . . . 43 ARG C . 52619 1 287 . 1 . 1 43 43 ARG CA C 13 56.33 . . 1 . . . . . 43 ARG CA . 52619 1 288 . 1 . 1 43 43 ARG CB C 13 27.49 . . 1 . . . . . 43 ARG CB . 52619 1 289 . 1 . 1 43 43 ARG CG C 13 24.41 . . 1 . . . . . 43 ARG CG . 52619 1 290 . 1 . 1 43 43 ARG N N 15 120.1 . . 1 . . . . . 43 ARG N . 52619 1 291 . 1 . 1 44 44 GLN H H 1 8.131 . . 1 . . . . . 44 GLN H . 52619 1 292 . 1 . 1 44 44 GLN HA H 1 4.031 . . 1 . . . . . 44 GLN HA . 52619 1 293 . 1 . 1 44 44 GLN C C 13 176.2 . . 1 . . . . . 44 GLN C . 52619 1 294 . 1 . 1 44 44 GLN CA C 13 55.72 . . 1 . . . . . 44 GLN CA . 52619 1 295 . 1 . 1 44 44 GLN CB C 13 25.54 . . 1 . . . . . 44 GLN CB . 52619 1 296 . 1 . 1 44 44 GLN CG C 13 31.13 . . 1 . . . . . 44 GLN CG . 52619 1 297 . 1 . 1 44 44 GLN N N 15 119.6 . . 1 . . . . . 44 GLN N . 52619 1 298 . 1 . 1 45 45 LYS H H 1 8.22 . . 1 . . . . . 45 LYS H . 52619 1 299 . 1 . 1 45 45 LYS HA H 1 4.063 . . 1 . . . . . 45 LYS HA . 52619 1 300 . 1 . 1 45 45 LYS C C 13 176.6 . . 1 . . . . . 45 LYS C . 52619 1 301 . 1 . 1 45 45 LYS CA C 13 56.42 . . 1 . . . . . 45 LYS CA . 52619 1 302 . 1 . 1 45 45 LYS CB C 13 29.78 . . 1 . . . . . 45 LYS CB . 52619 1 303 . 1 . 1 45 45 LYS CG C 13 22.65 . . 1 . . . . . 45 LYS CG . 52619 1 304 . 1 . 1 45 45 LYS N N 15 121.5 . . 1 . . . . . 45 LYS N . 52619 1 305 . 1 . 1 46 46 GLN H H 1 8.233 . . 1 . . . . . 46 GLN H . 52619 1 306 . 1 . 1 46 46 GLN HA H 1 4.045 . . 1 . . . . . 46 GLN HA . 52619 1 307 . 1 . 1 46 46 GLN C C 13 174.7 . . 1 . . . . . 46 GLN C . 52619 1 308 . 1 . 1 46 46 GLN CA C 13 55.16 . . 1 . . . . . 46 GLN CA . 52619 1 309 . 1 . 1 46 46 GLN CB C 13 25.71 . . 1 . . . . . 46 GLN CB . 52619 1 310 . 1 . 1 46 46 GLN CG C 13 30.88 . . 1 . . . . . 46 GLN CG . 52619 1 311 . 1 . 1 46 46 GLN N N 15 120.8 . . 1 . . . . . 46 GLN N . 52619 1 312 . 1 . 1 47 47 ALA H H 1 8.189 . . 1 . . . . . 47 ALA H . 52619 1 313 . 1 . 1 47 47 ALA HA H 1 4.157 . . 1 . . . . . 47 ALA HA . 52619 1 314 . 1 . 1 47 47 ALA C C 13 177.7 . . 1 . . . . . 47 ALA C . 52619 1 315 . 1 . 1 47 47 ALA CA C 13 51.65 . . 1 . . . . . 47 ALA CA . 52619 1 316 . 1 . 1 47 47 ALA CB C 13 15.23 . . 1 . . . . . 47 ALA CB . 52619 1 317 . 1 . 1 47 47 ALA N N 15 122.5 . . 1 . . . . . 47 ALA N . 52619 1 318 . 1 . 1 48 48 ALA H H 1 7.973 . . 1 . . . . . 48 ALA H . 52619 1 319 . 1 . 1 48 48 ALA HA H 1 4.161 . . 1 . . . . . 48 ALA HA . 52619 1 320 . 1 . 1 48 48 ALA C C 13 177.2 . . 1 . . . . . 48 ALA C . 52619 1 321 . 1 . 1 48 48 ALA CA C 13 51.52 . . 1 . . . . . 48 ALA CA . 52619 1 322 . 1 . 1 48 48 ALA CB C 13 15.32 . . 1 . . . . . 48 ALA CB . 52619 1 323 . 1 . 1 48 48 ALA N N 15 121.7 . . 1 . . . . . 48 ALA N . 52619 1 324 . 1 . 1 49 49 ALA H H 1 7.914 . . 1 . . . . . 49 ALA H . 52619 1 325 . 1 . 1 49 49 ALA HA H 1 4.099 . . 1 . . . . . 49 ALA HA . 52619 1 326 . 1 . 1 49 49 ALA C C 13 177.5 . . 1 . . . . . 49 ALA C . 52619 1 327 . 1 . 1 49 49 ALA CA C 13 51.9 . . 1 . . . . . 49 ALA CA . 52619 1 328 . 1 . 1 49 49 ALA CB C 13 15.32 . . 1 . . . . . 49 ALA CB . 52619 1 329 . 1 . 1 49 49 ALA N N 15 122.8 . . 1 . . . . . 49 ALA N . 52619 1 330 . 1 . 1 50 50 ASP H H 1 8.441 . . 1 . . . . . 50 ASP H . 52619 1 331 . 1 . 1 50 50 ASP HA H 1 4.089 . . 1 . . . . . 50 ASP HA . 52619 1 332 . 1 . 1 50 50 ASP C C 13 175.5 . . 1 . . . . . 50 ASP C . 52619 1 333 . 1 . 1 50 50 ASP CA C 13 53.54 . . 1 . . . . . 50 ASP CA . 52619 1 334 . 1 . 1 50 50 ASP CB C 13 37.68 . . 1 . . . . . 50 ASP CB . 52619 1 335 . 1 . 1 50 50 ASP N N 15 120.3 . . 1 . . . . . 50 ASP N . 52619 1 336 . 1 . 1 51 51 ALA H H 1 7.996 . . 1 . . . . . 51 ALA H . 52619 1 337 . 1 . 1 51 51 ALA HA H 1 4.148 . . 1 . . . . . 51 ALA HA . 52619 1 338 . 1 . 1 51 51 ALA C C 13 177.8 . . 1 . . . . . 51 ALA C . 52619 1 339 . 1 . 1 51 51 ALA CA C 13 51.82 . . 1 . . . . . 51 ALA CA . 52619 1 340 . 1 . 1 51 51 ALA CB C 13 15.22 . . 1 . . . . . 51 ALA CB . 52619 1 341 . 1 . 1 51 51 ALA N N 15 123 . . 1 . . . . . 51 ALA N . 52619 1 342 . 1 . 1 52 52 ARG H H 1 7.93 . . 1 . . . . . 52 ARG H . 52619 1 343 . 1 . 1 52 52 ARG HA H 1 4.106 . . 1 . . . . . 52 ARG HA . 52619 1 344 . 1 . 1 52 52 ARG C C 13 175.5 . . 1 . . . . . 52 ARG C . 52619 1 345 . 1 . 1 52 52 ARG CA C 13 55.64 . . 1 . . . . . 52 ARG CA . 52619 1 346 . 1 . 1 52 52 ARG CB C 13 29.74 . . 1 . . . . . 52 ARG CB . 52619 1 347 . 1 . 1 52 52 ARG N N 15 119.8 . . 1 . . . . . 52 ARG N . 52619 1 348 . 1 . 1 53 53 ARG HA H 1 4.087 . . 1 . . . . . 53 ARG HA . 52619 1 349 . 1 . 1 53 53 ARG C C 13 176.4 . . 1 . . . . . 53 ARG C . 52619 1 350 . 1 . 1 53 53 ARG CA C 13 56.15 . . 1 . . . . . 53 ARG CA . 52619 1 351 . 1 . 1 53 53 ARG CB C 13 27.49 . . 1 . . . . . 53 ARG CB . 52619 1 352 . 1 . 1 53 53 ARG CG C 13 24.79 . . 1 . . . . . 53 ARG CG . 52619 1 353 . 1 . 1 53 53 ARG CD C 13 40.47 . . 1 . . . . . 53 ARG CD . 52619 1 354 . 1 . 1 53 53 ARG N N 15 120.3 . . 1 . . . . . 53 ARG N . 52619 1 355 . 1 . 1 54 54 GLU H H 1 8.086 . . 1 . . . . . 54 GLU H . 52619 1 356 . 1 . 1 54 54 GLU HA H 1 4.047 . . 1 . . . . . 54 GLU HA . 52619 1 357 . 1 . 1 54 54 GLU C C 13 175.7 . . 1 . . . . . 54 GLU C . 52619 1 358 . 1 . 1 54 54 GLU CA C 13 55.85 . . 1 . . . . . 54 GLU CA . 52619 1 359 . 1 . 1 54 54 GLU CB C 13 26.45 . . 1 . . . . . 54 GLU CB . 52619 1 360 . 1 . 1 54 54 GLU CG C 13 33.02 . . 1 . . . . . 54 GLU CG . 52619 1 361 . 1 . 1 54 54 GLU N N 15 119.6 . . 1 . . . . . 54 GLU N . 52619 1 362 . 1 . 1 55 55 ALA H H 1 7.967 . . 1 . . . . . 55 ALA H . 52619 1 363 . 1 . 1 55 55 ALA HA H 1 4.122 . . 1 . . . . . 55 ALA HA . 52619 1 364 . 1 . 1 55 55 ALA C C 13 177.6 . . 1 . . . . . 55 ALA C . 52619 1 365 . 1 . 1 55 55 ALA CA C 13 51.99 . . 1 . . . . . 55 ALA CA . 52619 1 366 . 1 . 1 55 55 ALA CB C 13 15.38 . . 1 . . . . . 55 ALA CB . 52619 1 367 . 1 . 1 55 55 ALA N N 15 122.4 . . 1 . . . . . 55 ALA N . 52619 1 368 . 1 . 1 56 56 GLU H H 1 8.152 . . 1 . . . . . 56 GLU H . 52619 1 369 . 1 . 1 56 56 GLU HA H 1 4.017 . . 1 . . . . . 56 GLU HA . 52619 1 370 . 1 . 1 56 56 GLU C C 13 175.9 . . 1 . . . . . 56 GLU C . 52619 1 371 . 1 . 1 56 56 GLU CA C 13 55.92 . . 1 . . . . . 56 GLU CA . 52619 1 372 . 1 . 1 56 56 GLU CB C 13 26.77 . . 1 . . . . . 56 GLU CB . 52619 1 373 . 1 . 1 56 56 GLU CG C 13 33.86 . . 1 . . . . . 56 GLU CG . 52619 1 374 . 1 . 1 56 56 GLU N N 15 118.9 . . 1 . . . . . 56 GLU N . 52619 1 375 . 1 . 1 57 57 LYS H H 1 7.789 . . 1 . . . . . 57 LYS H . 52619 1 376 . 1 . 1 57 57 LYS HA H 1 4.014 . . 1 . . . . . 57 LYS HA . 52619 1 377 . 1 . 1 57 57 LYS C C 13 175.9 . . 1 . . . . . 57 LYS C . 52619 1 378 . 1 . 1 57 57 LYS CA C 13 56.07 . . 1 . . . . . 57 LYS CA . 52619 1 379 . 1 . 1 57 57 LYS CB C 13 29.73 . . 1 . . . . . 57 LYS CB . 52619 1 380 . 1 . 1 57 57 LYS CG C 13 22.23 . . 1 . . . . . 57 LYS CG . 52619 1 381 . 1 . 1 57 57 LYS CD C 13 26.86 . . 1 . . . . . 57 LYS CD . 52619 1 382 . 1 . 1 57 57 LYS N N 15 120.3 . . 1 . . . . . 57 LYS N . 52619 1 383 . 1 . 1 58 58 LEU H H 1 7.818 . . 1 . . . . . 58 LEU H . 52619 1 384 . 1 . 1 58 58 LEU HA H 1 4.064 . . 1 . . . . . 58 LEU HA . 52619 1 385 . 1 . 1 58 58 LEU C C 13 176.5 . . 1 . . . . . 58 LEU C . 52619 1 386 . 1 . 1 58 58 LEU CA C 13 54.27 . . 1 . . . . . 58 LEU CA . 52619 1 387 . 1 . 1 58 58 LEU CB C 13 39.01 . . 1 . . . . . 58 LEU CB . 52619 1 388 . 1 . 1 58 58 LEU CG C 13 24.29 . . 1 . . . . . 58 LEU CG . 52619 1 389 . 1 . 1 58 58 LEU N N 15 119.8 . . 1 . . . . . 58 LEU N . 52619 1 390 . 1 . 1 59 59 GLU H H 1 7.974 . . 1 . . . . . 59 GLU H . 52619 1 391 . 1 . 1 59 59 GLU HA H 1 4.027 . . 1 . . . . . 59 GLU HA . 52619 1 392 . 1 . 1 59 59 GLU C C 13 175.9 . . 1 . . . . . 59 GLU C . 52619 1 393 . 1 . 1 59 59 GLU CA C 13 55.88 . . 1 . . . . . 59 GLU CA . 52619 1 394 . 1 . 1 59 59 GLU CB C 13 26.66 . . 1 . . . . . 59 GLU CB . 52619 1 395 . 1 . 1 59 59 GLU CG C 13 33.25 . . 1 . . . . . 59 GLU CG . 52619 1 396 . 1 . 1 59 59 GLU N N 15 119.9 . . 1 . . . . . 59 GLU N . 52619 1 397 . 1 . 1 60 60 LYS H H 1 7.868 . . 1 . . . . . 60 LYS H . 52619 1 398 . 1 . 1 60 60 LYS HA H 1 4.106 . . 1 . . . . . 60 LYS HA . 52619 1 399 . 1 . 1 60 60 LYS C C 13 175.5 . . 1 . . . . . 60 LYS C . 52619 1 400 . 1 . 1 60 60 LYS CA C 13 55.48 . . 1 . . . . . 60 LYS CA . 52619 1 401 . 1 . 1 60 60 LYS CB C 13 27.11 . . 1 . . . . . 60 LYS CB . 52619 1 402 . 1 . 1 60 60 LYS CE C 13 40.57 . . 1 . . . . . 60 LYS CE . 52619 1 403 . 1 . 1 60 60 LYS N N 15 120.1 . . 1 . . . . . 60 LYS N . 52619 1 404 . 1 . 1 61 61 LEU H H 1 7.785 . . 1 . . . . . 61 LEU H . 52619 1 405 . 1 . 1 61 61 LEU HA H 1 4.148 . . 1 . . . . . 61 LEU HA . 52619 1 406 . 1 . 1 61 61 LEU C C 13 176 . . 1 . . . . . 61 LEU C . 52619 1 407 . 1 . 1 61 61 LEU CA C 13 53.85 . . 1 . . . . . 61 LEU CA . 52619 1 408 . 1 . 1 61 61 LEU CB C 13 39.36 . . 1 . . . . . 61 LEU CB . 52619 1 409 . 1 . 1 61 61 LEU CG C 13 24.12 . . 1 . . . . . 61 LEU CG . 52619 1 410 . 1 . 1 61 61 LEU N N 15 120.2 . . 1 . . . . . 61 LEU N . 52619 1 411 . 1 . 1 62 62 LYS H H 1 7.861 . . 1 . . . . . 62 LYS H . 52619 1 412 . 1 . 1 62 62 LYS HA H 1 4.053 . . 1 . . . . . 62 LYS HA . 52619 1 413 . 1 . 1 62 62 LYS C C 13 174.8 . . 1 . . . . . 62 LYS C . 52619 1 414 . 1 . 1 62 62 LYS CA C 13 55.08 . . 1 . . . . . 62 LYS CA . 52619 1 415 . 1 . 1 62 62 LYS CB C 13 30.01 . . 1 . . . . . 62 LYS CB . 52619 1 416 . 1 . 1 62 62 LYS CG C 13 22.24 . . 1 . . . . . 62 LYS CG . 52619 1 417 . 1 . 1 62 62 LYS CD C 13 26.93 . . 1 . . . . . 62 LYS CD . 52619 1 418 . 1 . 1 62 62 LYS N N 15 119.8 . . 1 . . . . . 62 LYS N . 52619 1 419 . 1 . 1 63 63 ALA H H 1 7.86 . . 1 . . . . . 63 ALA H . 52619 1 420 . 1 . 1 63 63 ALA HA H 1 4.181 . . 1 . . . . . 63 ALA HA . 52619 1 421 . 1 . 1 63 63 ALA C C 13 175.8 . . 1 . . . . . 63 ALA C . 52619 1 422 . 1 . 1 63 63 ALA CA C 13 50.29 . . 1 . . . . . 63 ALA CA . 52619 1 423 . 1 . 1 63 63 ALA CB C 13 16.11 . . 1 . . . . . 63 ALA CB . 52619 1 424 . 1 . 1 63 63 ALA N N 15 122.8 . . 1 . . . . . 63 ALA N . 52619 1 425 . 1 . 1 64 64 GLU H H 1 7.999 . . 1 . . . . . 64 GLU H . 52619 1 426 . 1 . 1 64 64 GLU HA H 1 4.136 . . 1 . . . . . 64 GLU HA . 52619 1 427 . 1 . 1 64 64 GLU C C 13 174.5 . . 1 . . . . . 64 GLU C . 52619 1 428 . 1 . 1 64 64 GLU CA C 13 54.44 . . 1 . . . . . 64 GLU CA . 52619 1 429 . 1 . 1 64 64 GLU CB C 13 27.23 . . 1 . . . . . 64 GLU CB . 52619 1 430 . 1 . 1 64 64 GLU CG C 13 33.47 . . 1 . . . . . 64 GLU CG . 52619 1 431 . 1 . 1 64 64 GLU N N 15 119 . . 1 . . . . . 64 GLU N . 52619 1 432 . 1 . 1 65 65 LYS H H 1 8.043 . . 1 . . . . . 65 LYS H . 52619 1 433 . 1 . 1 65 65 LYS HA H 1 4.25 . . 1 . . . . . 65 LYS HA . 52619 1 434 . 1 . 1 65 65 LYS C C 13 174.3 . . 1 . . . . . 65 LYS C . 52619 1 435 . 1 . 1 65 65 LYS CA C 13 53.98 . . 1 . . . . . 65 LYS CA . 52619 1 436 . 1 . 1 65 65 LYS CB C 13 30.15 . . 1 . . . . . 65 LYS CB . 52619 1 437 . 1 . 1 65 65 LYS CG C 13 22.12 . . 1 . . . . . 65 LYS CG . 52619 1 438 . 1 . 1 65 65 LYS CD C 13 26.59 . . 1 . . . . . 65 LYS CD . 52619 1 439 . 1 . 1 65 65 LYS N N 15 120.6 . . 1 . . . . . 65 LYS N . 52619 1 440 . 1 . 1 66 66 THR H H 1 7.896 . . 1 . . . . . 66 THR H . 52619 1 441 . 1 . 1 66 66 THR HA H 1 4.159 . . 1 . . . . . 66 THR HA . 52619 1 442 . 1 . 1 66 66 THR C C 13 171.6 . . 1 . . . . . 66 THR C . 52619 1 443 . 1 . 1 66 66 THR CA C 13 59.44 . . 1 . . . . . 66 THR CA . 52619 1 444 . 1 . 1 66 66 THR CB C 13 67.67 . . 1 . . . . . 66 THR CB . 52619 1 445 . 1 . 1 66 66 THR N N 15 114.1 . . 1 . . . . . 66 THR N . 52619 1 446 . 1 . 1 67 67 ARG H H 1 8.101 . . 1 . . . . . 67 ARG H . 52619 1 447 . 1 . 1 67 67 ARG HA H 1 4.285 . . 1 . . . . . 67 ARG HA . 52619 1 448 . 1 . 1 67 67 ARG C C 13 172.5 . . 1 . . . . . 67 ARG C . 52619 1 449 . 1 . 1 67 67 ARG CA C 13 53.39 . . 1 . . . . . 67 ARG CA . 52619 1 450 . 1 . 1 67 67 ARG CB C 13 27.98 . . 1 . . . . . 67 ARG CB . 52619 1 451 . 1 . 1 67 67 ARG CG C 13 24.16 . . 1 . . . . . 67 ARG CG . 52619 1 452 . 1 . 1 67 67 ARG CD C 13 40.65 . . 1 . . . . . 67 ARG CD . 52619 1 453 . 1 . 1 67 67 ARG N N 15 124.1 . . 1 . . . . . 67 ARG N . 52619 1 454 . 1 . 1 68 68 ARG H H 1 7.929 . . 1 . . . . . 68 ARG H . 52619 1 455 . 1 . 1 68 68 ARG N N 15 128 . . 1 . . . . . 68 ARG N . 52619 1 stop_ save_