data_30239 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30239 _Entry.Title ; NMR structure of the RED subdomain of the Sleeping Beauty transposase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-31 _Entry.Accession_date 2017-01-31 _Entry.Last_release_date 2017-05-31 _Entry.Original_release_date 2017-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 T. Konnova T. A. . . 30239 2 C. Singer C. M. . . 30239 3 I. Nesmelova I. V. . . 30239 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 30239 dna-binding . 30239 helical . 30239 helix-turn-helix . 30239 transposase . 30239 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30239 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 30239 '15N chemical shifts' 62 30239 '1H chemical shifts' 404 30239 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 . . 2017-06-02 . original BMRB . 30239 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UNK 'BMRB Entry Tracking System' 30239 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30239 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/pro.3167 _Citation.PubMed_ID 28345263 _Citation.Full_citation . _Citation.Title ; NMR solution structure of the RED subdomain of the Sleeping Beauty transposase. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue . _Citation.Journal_ASTM PRCIEI _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0795 _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 1171 _Citation.Page_last 1181 _Citation.Year 2017 _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 T. Konnova T. A. . . 30239 1 2 C. Singer C. M. . . 30239 1 3 I. Nesmelova I. V. . . 30239 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30239 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30239 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30239 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASMVLSPRDERTLVRKVQIN PRTTAKDLVKMLEETGTKVS ISTVKRVLYRHNLKGRSARK LE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _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 present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7122.414 _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 . ALA . 30239 1 2 . SER . 30239 1 3 . MET . 30239 1 4 . VAL . 30239 1 5 . LEU . 30239 1 6 . SER . 30239 1 7 . PRO . 30239 1 8 . ARG . 30239 1 9 . ASP . 30239 1 10 . GLU . 30239 1 11 . ARG . 30239 1 12 . THR . 30239 1 13 . LEU . 30239 1 14 . VAL . 30239 1 15 . ARG . 30239 1 16 . LYS . 30239 1 17 . VAL . 30239 1 18 . GLN . 30239 1 19 . ILE . 30239 1 20 . ASN . 30239 1 21 . PRO . 30239 1 22 . ARG . 30239 1 23 . THR . 30239 1 24 . THR . 30239 1 25 . ALA . 30239 1 26 . LYS . 30239 1 27 . ASP . 30239 1 28 . LEU . 30239 1 29 . VAL . 30239 1 30 . LYS . 30239 1 31 . MET . 30239 1 32 . LEU . 30239 1 33 . GLU . 30239 1 34 . GLU . 30239 1 35 . THR . 30239 1 36 . GLY . 30239 1 37 . THR . 30239 1 38 . LYS . 30239 1 39 . VAL . 30239 1 40 . SER . 30239 1 41 . ILE . 30239 1 42 . SER . 30239 1 43 . THR . 30239 1 44 . VAL . 30239 1 45 . LYS . 30239 1 46 . ARG . 30239 1 47 . VAL . 30239 1 48 . LEU . 30239 1 49 . TYR . 30239 1 50 . ARG . 30239 1 51 . HIS . 30239 1 52 . ASN . 30239 1 53 . LEU . 30239 1 54 . LYS . 30239 1 55 . GLY . 30239 1 56 . ARG . 30239 1 57 . SER . 30239 1 58 . ALA . 30239 1 59 . ARG . 30239 1 60 . LYS . 30239 1 61 . LEU . 30239 1 62 . GLU . 30239 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 . ALA 1 1 30239 1 . SER 2 2 30239 1 . MET 3 3 30239 1 . VAL 4 4 30239 1 . LEU 5 5 30239 1 . SER 6 6 30239 1 . PRO 7 7 30239 1 . ARG 8 8 30239 1 . ASP 9 9 30239 1 . GLU 10 10 30239 1 . ARG 11 11 30239 1 . THR 12 12 30239 1 . LEU 13 13 30239 1 . VAL 14 14 30239 1 . ARG 15 15 30239 1 . LYS 16 16 30239 1 . VAL 17 17 30239 1 . GLN 18 18 30239 1 . ILE 19 19 30239 1 . ASN 20 20 30239 1 . PRO 21 21 30239 1 . ARG 22 22 30239 1 . THR 23 23 30239 1 . THR 24 24 30239 1 . ALA 25 25 30239 1 . LYS 26 26 30239 1 . ASP 27 27 30239 1 . LEU 28 28 30239 1 . VAL 29 29 30239 1 . LYS 30 30 30239 1 . MET 31 31 30239 1 . LEU 32 32 30239 1 . GLU 33 33 30239 1 . GLU 34 34 30239 1 . THR 35 35 30239 1 . GLY 36 36 30239 1 . THR 37 37 30239 1 . LYS 38 38 30239 1 . VAL 39 39 30239 1 . SER 40 40 30239 1 . ILE 41 41 30239 1 . SER 42 42 30239 1 . THR 43 43 30239 1 . VAL 44 44 30239 1 . LYS 45 45 30239 1 . ARG 46 46 30239 1 . VAL 47 47 30239 1 . LEU 48 48 30239 1 . TYR 49 49 30239 1 . ARG 50 50 30239 1 . HIS 51 51 30239 1 . ASN 52 52 30239 1 . LEU 53 53 30239 1 . LYS 54 54 30239 1 . GLY 55 55 30239 1 . ARG 56 56 30239 1 . SER 57 57 30239 1 . ALA 58 58 30239 1 . ARG 59 59 30239 1 . LYS 60 60 30239 1 . LEU 61 61 30239 1 . GLU 62 62 30239 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30239 _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 . 8022 organism . 'Oncorhynchus mykiss' 'Rainbow trout' . . Eukaryota Metazoa Oncorhynchus mykiss . . . . . . . . . . . GSONMT00020475001 . 30239 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30239 _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' . . 562 Escherichia coli . . . . . . . . . . 30239 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30239 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mg/mL [U-13C; U-15N] RED subdomain of the Sleeping Beauty transposase, 20 mM MES, 650 mM sodium sulfate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30239 1 2 'RED subdomain of the Sleeping Beauty transposase' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mg/mL . . . . 30239 1 3 'sodium sulfate' 'natural abundance' . . . . . . 650 . . mM . . . . 30239 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30239 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mg/mL [U-13C; U-15N] RED subdomain of the Sleeping Beauty transposase, 20 mM MES, 650 mM sodium sulfate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30239 2 2 'RED subdomain of the Sleeping Beauty transposase' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mg/mL . . . . 30239 2 3 'sodium sulfate' 'natural abundance' . . . . . . 650 . . mM . . . . 30239 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 30239 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 650 . mM 30239 1 pH 5 . pH 30239 1 pressure 1 . . 30239 1 temperature 293 . K 30239 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30239 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30239 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30239 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30239 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30239 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30239 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30239 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30239 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30239 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30239 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30239 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30239 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30239 _Software.ID 5 _Software.Name xplor-nih _Software.Version . _Software.Details '(2003) The Xplor-NIH NMR molecular structure determination package. J Magn Reson. 160, 65-73' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, C. D., Kuszewski, J. J., Tjandra, N. and Clore, G. M.' . . 30239 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30239 5 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 30239 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30239 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 950 . . . 30239 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30239 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30239 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 30239 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . 30239 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 30239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 30239 1 2 '3D CBCA(CO)NH' . . . 30239 1 3 '3D HCCH-TOCSY' . . . 30239 1 4 '3D 1H-15N TOCSY' . . . 30239 1 5 '3D 1H-15N NOESY' . . . 30239 1 6 '3D 1H-13C NOESY' . . . 30239 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 ALA H H 1 8.314 0.020 . 1 . . . A 1 ALA H1 . 30239 1 2 . 1 1 1 1 ALA HA H 1 4.175 0.020 . 1 . . . A 1 ALA HA . 30239 1 3 . 1 1 1 1 ALA HB1 H 1 1.303 0.020 . 1 . . . A 1 ALA HB1 . 30239 1 4 . 1 1 1 1 ALA HB2 H 1 1.303 0.020 . 1 . . . A 1 ALA HB2 . 30239 1 5 . 1 1 1 1 ALA HB3 H 1 1.303 0.020 . 1 . . . A 1 ALA HB3 . 30239 1 6 . 1 1 1 1 ALA CB C 13 18.998 0.3 . 1 . . . A 1 ALA CB . 30239 1 7 . 1 1 1 1 ALA N N 15 129.783 0.3 . 1 . . . A 1 ALA N . 30239 1 8 . 1 1 2 2 SER H H 1 8.383 0.020 . 1 . . . A 2 SER H . 30239 1 9 . 1 1 2 2 SER HA H 1 4.439 0.020 . 1 . . . A 2 SER HA . 30239 1 10 . 1 1 2 2 SER HB2 H 1 3.809 0.020 . 1 . . . A 2 SER HB2 . 30239 1 11 . 1 1 2 2 SER HB3 H 1 3.809 0.020 . 1 . . . A 2 SER HB3 . 30239 1 12 . 1 1 2 2 SER CA C 13 58.052 0.3 . 1 . . . A 2 SER CA . 30239 1 13 . 1 1 2 2 SER CB C 13 63.722 0.3 . 1 . . . A 2 SER CB . 30239 1 14 . 1 1 2 2 SER N N 15 114.193 0.3 . 1 . . . A 2 SER N . 30239 1 15 . 1 1 3 3 MET H H 1 8.539 0.020 . 1 . . . A 3 MET H . 30239 1 16 . 1 1 3 3 MET HA H 1 4.466 0.020 . 1 . . . A 3 MET HA . 30239 1 17 . 1 1 3 3 MET CA C 13 56.334 0.3 . 1 . . . A 3 MET CA . 30239 1 18 . 1 1 3 3 MET CB C 13 31.871 0.3 . 1 . . . A 3 MET CB . 30239 1 19 . 1 1 3 3 MET N N 15 122.587 0.3 . 1 . . . A 3 MET N . 30239 1 20 . 1 1 4 4 VAL H H 1 8.207 0.020 . 1 . . . A 4 VAL H . 30239 1 21 . 1 1 4 4 VAL HA H 1 4.030 0.020 . 1 . . . A 4 VAL HA . 30239 1 22 . 1 1 4 4 VAL HB H 1 1.992 0.020 . 1 . . . A 4 VAL HB . 30239 1 23 . 1 1 4 4 VAL HG11 H 1 0.839 0.020 . 1 . . . A 4 VAL HG11 . 30239 1 24 . 1 1 4 4 VAL HG12 H 1 0.839 0.020 . 1 . . . A 4 VAL HG12 . 30239 1 25 . 1 1 4 4 VAL HG13 H 1 0.839 0.020 . 1 . . . A 4 VAL HG13 . 30239 1 26 . 1 1 4 4 VAL HG21 H 1 0.839 0.020 . 1 . . . A 4 VAL HG21 . 30239 1 27 . 1 1 4 4 VAL HG22 H 1 0.839 0.020 . 1 . . . A 4 VAL HG22 . 30239 1 28 . 1 1 4 4 VAL HG23 H 1 0.839 0.020 . 1 . . . A 4 VAL HG23 . 30239 1 29 . 1 1 4 4 VAL CA C 13 62.052 0.3 . 1 . . . A 4 VAL CA . 30239 1 30 . 1 1 4 4 VAL CB C 13 32.504 0.3 . 1 . . . A 4 VAL CB . 30239 1 31 . 1 1 4 4 VAL CG1 C 13 20.274 0.3 . 1 . . . A 4 VAL CG1 . 30239 1 32 . 1 1 4 4 VAL N N 15 122.329 0.3 . 1 . . . A 4 VAL N . 30239 1 33 . 1 1 5 5 LEU H H 1 8.367 0.020 . 1 . . . A 5 LEU H . 30239 1 34 . 1 1 5 5 LEU HA H 1 4.377 0.020 . 1 . . . A 5 LEU HA . 30239 1 35 . 1 1 5 5 LEU HB2 H 1 1.589 0.020 . 1 . . . A 5 LEU HB2 . 30239 1 36 . 1 1 5 5 LEU HB3 H 1 1.589 0.020 . 1 . . . A 5 LEU HB3 . 30239 1 37 . 1 1 5 5 LEU CA C 13 54.547 0.3 . 1 . . . A 5 LEU CA . 30239 1 38 . 1 1 5 5 LEU CB C 13 42.636 0.3 . 1 . . . A 5 LEU CB . 30239 1 39 . 1 1 5 5 LEU N N 15 126.619 0.3 . 1 . . . A 5 LEU N . 30239 1 40 . 1 1 6 6 SER H H 1 8.468 0.020 . 1 . . . A 6 SER H . 30239 1 41 . 1 1 6 6 SER HA H 1 4.621 0.020 . 1 . . . A 6 SER HA . 30239 1 42 . 1 1 6 6 SER CA C 13 55.807 0.3 . 1 . . . A 6 SER CA . 30239 1 43 . 1 1 6 6 SER CB C 13 63.262 0.3 . 1 . . . A 6 SER CB . 30239 1 44 . 1 1 6 6 SER N N 15 118.319 0.3 . 1 . . . A 6 SER N . 30239 1 45 . 1 1 7 7 PRO HA H 1 4.327 0.020 . 1 . . . A 7 PRO HA . 30239 1 46 . 1 1 7 7 PRO HB2 H 1 2.224 0.020 . 2 . . . A 7 PRO HB2 . 30239 1 47 . 1 1 7 7 PRO HB3 H 1 2.195 0.020 . 2 . . . A 7 PRO HB3 . 30239 1 48 . 1 1 7 7 PRO HG2 H 1 1.923 0.020 . 1 . . . A 7 PRO HG2 . 30239 1 49 . 1 1 7 7 PRO HD2 H 1 3.660 0.020 . 1 . . . A 7 PRO HD2 . 30239 1 50 . 1 1 7 7 PRO CA C 13 63.973 0.3 . 1 . . . A 7 PRO CA . 30239 1 51 . 1 1 7 7 PRO CB C 13 32.252 0.3 . 1 . . . A 7 PRO CB . 30239 1 52 . 1 1 7 7 PRO CG C 13 26.824 0.3 . 1 . . . A 7 PRO CG . 30239 1 53 . 1 1 7 7 PRO CD C 13 49.792 0.3 . 1 . . . A 7 PRO CD . 30239 1 54 . 1 1 8 8 ARG H H 1 8.126 0.020 . 1 . . . A 8 ARG H . 30239 1 55 . 1 1 8 8 ARG HA H 1 3.883 0.020 . 1 . . . A 8 ARG HA . 30239 1 56 . 1 1 8 8 ARG HB2 H 1 1.836 0.020 . 1 . . . A 8 ARG HB2 . 30239 1 57 . 1 1 8 8 ARG HB3 H 1 1.836 0.020 . 1 . . . A 8 ARG HB3 . 30239 1 58 . 1 1 8 8 ARG HG2 H 1 1.581 0.020 . 1 . . . A 8 ARG HG2 . 30239 1 59 . 1 1 8 8 ARG HG3 H 1 1.581 0.020 . 1 . . . A 8 ARG HG3 . 30239 1 60 . 1 1 8 8 ARG HD2 H 1 3.113 0.020 . 1 . . . A 8 ARG HD2 . 30239 1 61 . 1 1 8 8 ARG HD3 H 1 3.113 0.020 . 1 . . . A 8 ARG HD3 . 30239 1 62 . 1 1 8 8 ARG CA C 13 58.500 0.3 . 1 . . . A 8 ARG CA . 30239 1 63 . 1 1 8 8 ARG CB C 13 30.081 0.3 . 1 . . . A 8 ARG CB . 30239 1 64 . 1 1 8 8 ARG N N 15 117.127 0.3 . 1 . . . A 8 ARG N . 30239 1 65 . 1 1 9 9 ASP H H 1 7.798 0.020 . 1 . . . A 9 ASP H . 30239 1 66 . 1 1 9 9 ASP HA H 1 4.293 0.020 . 1 . . . A 9 ASP HA . 30239 1 67 . 1 1 9 9 ASP HB2 H 1 2.341 0.020 . 2 . . . A 9 ASP HB2 . 30239 1 68 . 1 1 9 9 ASP HB3 H 1 2.796 0.020 . 2 . . . A 9 ASP HB3 . 30239 1 69 . 1 1 9 9 ASP CA C 13 56.968 0.3 . 1 . . . A 9 ASP CA . 30239 1 70 . 1 1 9 9 ASP CB C 13 39.964 0.3 . 1 . . . A 9 ASP CB . 30239 1 71 . 1 1 9 9 ASP N N 15 121.397 0.3 . 1 . . . A 9 ASP N . 30239 1 72 . 1 1 10 10 GLU H H 1 8.447 0.020 . 1 . . . A 10 GLU H . 30239 1 73 . 1 1 10 10 GLU HA H 1 3.641 0.020 . 1 . . . A 10 GLU HA . 30239 1 74 . 1 1 10 10 GLU HB2 H 1 1.997 0.020 . 1 . . . A 10 GLU HB2 . 30239 1 75 . 1 1 10 10 GLU HB3 H 1 1.997 0.020 . 1 . . . A 10 GLU HB3 . 30239 1 76 . 1 1 10 10 GLU HG2 H 1 2.053 0.020 . 2 . . . A 10 GLU HG2 . 30239 1 77 . 1 1 10 10 GLU HG3 H 1 2.148 0.020 . 2 . . . A 10 GLU HG3 . 30239 1 78 . 1 1 10 10 GLU CA C 13 60.325 0.3 . 1 . . . A 10 GLU CA . 30239 1 79 . 1 1 10 10 GLU CB C 13 28.944 0.3 . 1 . . . A 10 GLU CB . 30239 1 80 . 1 1 10 10 GLU CG C 13 35.521 0.3 . 1 . . . A 10 GLU CG . 30239 1 81 . 1 1 10 10 GLU N N 15 120.170 0.3 . 1 . . . A 10 GLU N . 30239 1 82 . 1 1 11 11 ARG H H 1 7.938 0.020 . 1 . . . A 11 ARG H . 30239 1 83 . 1 1 11 11 ARG HA H 1 3.827 0.020 . 1 . . . A 11 ARG HA . 30239 1 84 . 1 1 11 11 ARG HB2 H 1 1.949 0.020 . 1 . . . A 11 ARG HB2 . 30239 1 85 . 1 1 11 11 ARG HB3 H 1 1.949 0.020 . 1 . . . A 11 ARG HB3 . 30239 1 86 . 1 1 11 11 ARG HG2 H 1 1.974 0.020 . 1 . . . A 11 ARG HG2 . 30239 1 87 . 1 1 11 11 ARG HG3 H 1 1.974 0.020 . 1 . . . A 11 ARG HG3 . 30239 1 88 . 1 1 11 11 ARG CA C 13 57.424 0.3 . 1 . . . A 11 ARG CA . 30239 1 89 . 1 1 11 11 ARG CB C 13 29.570 0.3 . 1 . . . A 11 ARG CB . 30239 1 90 . 1 1 11 11 ARG CG C 13 27.193 0.3 . 1 . . . A 11 ARG CG . 30239 1 91 . 1 1 11 11 ARG N N 15 116.798 0.3 . 1 . . . A 11 ARG N . 30239 1 92 . 1 1 12 12 THR H H 1 8.053 0.020 . 1 . . . A 12 THR H . 30239 1 93 . 1 1 12 12 THR HA H 1 4.216 0.020 . 1 . . . A 12 THR HA . 30239 1 94 . 1 1 12 12 THR HB H 1 3.808 0.020 . 1 . . . A 12 THR HB . 30239 1 95 . 1 1 12 12 THR HG21 H 1 1.053 0.020 . 1 . . . A 12 THR HG21 . 30239 1 96 . 1 1 12 12 THR HG22 H 1 1.053 0.020 . 1 . . . A 12 THR HG22 . 30239 1 97 . 1 1 12 12 THR HG23 H 1 1.053 0.020 . 1 . . . A 12 THR HG23 . 30239 1 98 . 1 1 12 12 THR CA C 13 62.162 0.3 . 1 . . . A 12 THR CA . 30239 1 99 . 1 1 12 12 THR CB C 13 67.019 0.3 . 1 . . . A 12 THR CB . 30239 1 100 . 1 1 12 12 THR CG2 C 13 21.352 0.3 . 1 . . . A 12 THR CG2 . 30239 1 101 . 1 1 12 12 THR N N 15 116.774 0.3 . 1 . . . A 12 THR N . 30239 1 102 . 1 1 13 13 LEU H H 1 7.868 0.020 . 1 . . . A 13 LEU H . 30239 1 103 . 1 1 13 13 LEU HA H 1 3.715 0.020 . 1 . . . A 13 LEU HA . 30239 1 104 . 1 1 13 13 LEU HB2 H 1 1.393 0.020 . 2 . . . A 13 LEU HB2 . 30239 1 105 . 1 1 13 13 LEU HB3 H 1 1.875 0.020 . 2 . . . A 13 LEU HB3 . 30239 1 106 . 1 1 13 13 LEU HD11 H 1 0.721 0.020 . 1 . . . A 13 LEU HD11 . 30239 1 107 . 1 1 13 13 LEU HD12 H 1 0.721 0.020 . 1 . . . A 13 LEU HD12 . 30239 1 108 . 1 1 13 13 LEU HD13 H 1 0.721 0.020 . 1 . . . A 13 LEU HD13 . 30239 1 109 . 1 1 13 13 LEU HD21 H 1 0.721 0.020 . 1 . . . A 13 LEU HD21 . 30239 1 110 . 1 1 13 13 LEU HD22 H 1 0.721 0.020 . 1 . . . A 13 LEU HD22 . 30239 1 111 . 1 1 13 13 LEU HD23 H 1 0.721 0.020 . 1 . . . A 13 LEU HD23 . 30239 1 112 . 1 1 13 13 LEU CA C 13 58.500 0.3 . 1 . . . A 13 LEU CA . 30239 1 113 . 1 1 13 13 LEU CB C 13 42.162 0.3 . 1 . . . A 13 LEU CB . 30239 1 114 . 1 1 13 13 LEU CD1 C 13 24.620 0.3 . 1 . . . A 13 LEU CD1 . 30239 1 115 . 1 1 13 13 LEU N N 15 121.225 0.3 . 1 . . . A 13 LEU N . 30239 1 116 . 1 1 14 14 VAL H H 1 7.704 0.020 . 1 . . . A 14 VAL H . 30239 1 117 . 1 1 14 14 VAL HA H 1 3.102 0.020 . 1 . . . A 14 VAL HA . 30239 1 118 . 1 1 14 14 VAL HB H 1 1.754 0.020 . 1 . . . A 14 VAL HB . 30239 1 119 . 1 1 14 14 VAL HG11 H 1 0.585 0.020 . 1 . . . A 14 VAL HG11 . 30239 1 120 . 1 1 14 14 VAL HG12 H 1 0.585 0.020 . 1 . . . A 14 VAL HG12 . 30239 1 121 . 1 1 14 14 VAL HG13 H 1 0.585 0.020 . 1 . . . A 14 VAL HG13 . 30239 1 122 . 1 1 14 14 VAL HG21 H 1 0.585 0.020 . 1 . . . A 14 VAL HG21 . 30239 1 123 . 1 1 14 14 VAL HG22 H 1 0.585 0.020 . 1 . . . A 14 VAL HG22 . 30239 1 124 . 1 1 14 14 VAL HG23 H 1 0.585 0.020 . 1 . . . A 14 VAL HG23 . 30239 1 125 . 1 1 14 14 VAL CA C 13 66.193 0.3 . 1 . . . A 14 VAL CA . 30239 1 126 . 1 1 14 14 VAL CB C 13 31.230 0.3 . 1 . . . A 14 VAL CB . 30239 1 127 . 1 1 14 14 VAL CG1 C 13 20.246 0.3 . 1 . . . A 14 VAL CG1 . 30239 1 128 . 1 1 14 14 VAL N N 15 116.410 0.3 . 1 . . . A 14 VAL N . 30239 1 129 . 1 1 15 15 ARG H H 1 8.038 0.020 . 1 . . . A 15 ARG H . 30239 1 130 . 1 1 15 15 ARG HA H 1 4.401 0.020 . 1 . . . A 15 ARG HA . 30239 1 131 . 1 1 15 15 ARG HB2 H 1 1.576 0.020 . 1 . . . A 15 ARG HB2 . 30239 1 132 . 1 1 15 15 ARG HB3 H 1 1.576 0.020 . 1 . . . A 15 ARG HB3 . 30239 1 133 . 1 1 15 15 ARG HD2 H 1 3.110 0.020 . 1 . . . A 15 ARG HD2 . 30239 1 134 . 1 1 15 15 ARG HD3 H 1 3.110 0.020 . 1 . . . A 15 ARG HD3 . 30239 1 135 . 1 1 15 15 ARG CA C 13 58.085 0.3 . 1 . . . A 15 ARG CA . 30239 1 136 . 1 1 15 15 ARG CB C 13 28.073 0.3 . 1 . . . A 15 ARG CB . 30239 1 137 . 1 1 15 15 ARG CD C 13 42.101 0.3 . 1 . . . A 15 ARG CD . 30239 1 138 . 1 1 15 15 ARG N N 15 118.617 0.3 . 1 . . . A 15 ARG N . 30239 1 139 . 1 1 16 16 LYS H H 1 7.797 0.020 . 1 . . . A 16 LYS H . 30239 1 140 . 1 1 16 16 LYS HA H 1 3.989 0.020 . 1 . . . A 16 LYS HA . 30239 1 141 . 1 1 16 16 LYS HB2 H 1 1.852 0.020 . 1 . . . A 16 LYS HB2 . 30239 1 142 . 1 1 16 16 LYS HB3 H 1 1.852 0.020 . 1 . . . A 16 LYS HB3 . 30239 1 143 . 1 1 16 16 LYS HG2 H 1 1.496 0.020 . 1 . . . A 16 LYS HG2 . 30239 1 144 . 1 1 16 16 LYS HG3 H 1 1.496 0.020 . 1 . . . A 16 LYS HG3 . 30239 1 145 . 1 1 16 16 LYS HD2 H 1 0.762 0.020 . 1 . . . A 16 LYS HD2 . 30239 1 146 . 1 1 16 16 LYS HD3 H 1 0.762 0.020 . 1 . . . A 16 LYS HD3 . 30239 1 147 . 1 1 16 16 LYS HE2 H 1 3.079 0.020 . 1 . . . A 16 LYS HE2 . 30239 1 148 . 1 1 16 16 LYS HE3 H 1 3.079 0.020 . 1 . . . A 16 LYS HE3 . 30239 1 149 . 1 1 16 16 LYS CB C 13 31.168 0.3 . 1 . . . A 16 LYS CB . 30239 1 150 . 1 1 16 16 LYS CG C 13 25.616 0.3 . 1 . . . A 16 LYS CG . 30239 1 151 . 1 1 16 16 LYS CD C 13 26.810 0.3 . 1 . . . A 16 LYS CD . 30239 1 152 . 1 1 16 16 LYS CE C 13 42.776 0.3 . 1 . . . A 16 LYS CE . 30239 1 153 . 1 1 16 16 LYS N N 15 116.918 0.3 . 1 . . . A 16 LYS N . 30239 1 154 . 1 1 17 17 VAL H H 1 7.409 0.020 . 1 . . . A 17 VAL H . 30239 1 155 . 1 1 17 17 VAL HA H 1 3.715 0.020 . 1 . . . A 17 VAL HA . 30239 1 156 . 1 1 17 17 VAL HB H 1 1.950 0.020 . 1 . . . A 17 VAL HB . 30239 1 157 . 1 1 17 17 VAL HG11 H 1 0.899 0.020 . 1 . . . A 17 VAL HG11 . 30239 1 158 . 1 1 17 17 VAL HG12 H 1 0.899 0.020 . 1 . . . A 17 VAL HG12 . 30239 1 159 . 1 1 17 17 VAL HG13 H 1 0.899 0.020 . 1 . . . A 17 VAL HG13 . 30239 1 160 . 1 1 17 17 VAL HG21 H 1 0.899 0.020 . 1 . . . A 17 VAL HG21 . 30239 1 161 . 1 1 17 17 VAL HG22 H 1 0.899 0.020 . 1 . . . A 17 VAL HG22 . 30239 1 162 . 1 1 17 17 VAL HG23 H 1 0.899 0.020 . 1 . . . A 17 VAL HG23 . 30239 1 163 . 1 1 17 17 VAL CA C 13 63.999 0.3 . 1 . . . A 17 VAL CA . 30239 1 164 . 1 1 17 17 VAL CB C 13 31.259 0.3 . 1 . . . A 17 VAL CB . 30239 1 165 . 1 1 17 17 VAL CG1 C 13 22.446 0.3 . 1 . . . A 17 VAL CG1 . 30239 1 166 . 1 1 17 17 VAL N N 15 116.788 0.3 . 1 . . . A 17 VAL N . 30239 1 167 . 1 1 18 18 GLN H H 1 7.988 0.020 . 1 . . . A 18 GLN H . 30239 1 168 . 1 1 18 18 GLN HA H 1 4.073 0.020 . 1 . . . A 18 GLN HA . 30239 1 169 . 1 1 18 18 GLN HB2 H 1 1.900 0.020 . 2 . . . A 18 GLN HB2 . 30239 1 170 . 1 1 18 18 GLN HB3 H 1 2.212 0.020 . 2 . . . A 18 GLN HB3 . 30239 1 171 . 1 1 18 18 GLN HG2 H 1 2.350 0.020 . 2 . . . A 18 GLN HG2 . 30239 1 172 . 1 1 18 18 GLN HG3 H 1 2.618 0.020 . 2 . . . A 18 GLN HG3 . 30239 1 173 . 1 1 18 18 GLN HE21 H 1 6.776 0.020 . 1 . . . A 18 GLN HE21 . 30239 1 174 . 1 1 18 18 GLN HE22 H 1 7.276 0.020 . 1 . . . A 18 GLN HE22 . 30239 1 175 . 1 1 18 18 GLN CB C 13 27.943 0.3 . 1 . . . A 18 GLN CB . 30239 1 176 . 1 1 18 18 GLN CG C 13 31.137 0.3 . 1 . . . A 18 GLN CG . 30239 1 177 . 1 1 18 18 GLN N N 15 120.756 0.3 . 1 . . . A 18 GLN N . 30239 1 178 . 1 1 18 18 GLN NE2 N 15 110.939 0.3 . 1 . . . A 18 GLN NE2 . 30239 1 179 . 1 1 19 19 ILE H H 1 7.700 0.020 . 1 . . . A 19 ILE H . 30239 1 180 . 1 1 19 19 ILE HA H 1 3.949 0.020 . 1 . . . A 19 ILE HA . 30239 1 181 . 1 1 19 19 ILE HB H 1 1.758 0.020 . 1 . . . A 19 ILE HB . 30239 1 182 . 1 1 19 19 ILE HG12 H 1 1.092 0.020 . 2 . . . A 19 ILE HG12 . 30239 1 183 . 1 1 19 19 ILE HG13 H 1 1.569 0.020 . 2 . . . A 19 ILE HG13 . 30239 1 184 . 1 1 19 19 ILE HG21 H 1 0.763 0.020 . 1 . . . A 19 ILE HG21 . 30239 1 185 . 1 1 19 19 ILE HG22 H 1 0.763 0.020 . 1 . . . A 19 ILE HG22 . 30239 1 186 . 1 1 19 19 ILE HG23 H 1 0.763 0.020 . 1 . . . A 19 ILE HG23 . 30239 1 187 . 1 1 19 19 ILE HD11 H 1 0.737 0.020 . 1 . . . A 19 ILE HD11 . 30239 1 188 . 1 1 19 19 ILE HD12 H 1 0.737 0.020 . 1 . . . A 19 ILE HD12 . 30239 1 189 . 1 1 19 19 ILE HD13 H 1 0.737 0.020 . 1 . . . A 19 ILE HD13 . 30239 1 190 . 1 1 19 19 ILE CA C 13 63.210 0.3 . 1 . . . A 19 ILE CA . 30239 1 191 . 1 1 19 19 ILE CB C 13 38.723 0.3 . 1 . . . A 19 ILE CB . 30239 1 192 . 1 1 19 19 ILE CG1 C 13 26.809 0.3 . 1 . . . A 19 ILE CG1 . 30239 1 193 . 1 1 19 19 ILE CG2 C 13 17.160 0.3 . 1 . . . A 19 ILE CG2 . 30239 1 194 . 1 1 19 19 ILE CD1 C 13 12.628 0.3 . 1 . . . A 19 ILE CD1 . 30239 1 195 . 1 1 19 19 ILE N N 15 116.961 0.3 . 1 . . . A 19 ILE N . 30239 1 196 . 1 1 20 20 ASN H H 1 7.961 0.020 . 1 . . . A 20 ASN H . 30239 1 197 . 1 1 20 20 ASN HA H 1 5.190 0.020 . 1 . . . A 20 ASN HA . 30239 1 198 . 1 1 20 20 ASN HB2 H 1 2.597 0.020 . 2 . . . A 20 ASN HB2 . 30239 1 199 . 1 1 20 20 ASN HB3 H 1 2.795 0.020 . 2 . . . A 20 ASN HB3 . 30239 1 200 . 1 1 20 20 ASN HD21 H 1 7.021 0.020 . 1 . . . A 20 ASN HD21 . 30239 1 201 . 1 1 20 20 ASN HD22 H 1 7.515 0.020 . 1 . . . A 20 ASN HD22 . 30239 1 202 . 1 1 20 20 ASN CA C 13 49.742 0.3 . 1 . . . A 20 ASN CA . 30239 1 203 . 1 1 20 20 ASN CB C 13 38.826 0.3 . 1 . . . A 20 ASN CB . 30239 1 204 . 1 1 20 20 ASN N N 15 116.535 0.3 . 1 . . . A 20 ASN N . 30239 1 205 . 1 1 20 20 ASN ND2 N 15 111.874 0.3 . 1 . . . A 20 ASN ND2 . 30239 1 206 . 1 1 21 21 PRO HA H 1 4.703 0.020 . 1 . . . A 21 PRO HA . 30239 1 207 . 1 1 21 21 PRO HB2 H 1 2.395 0.020 . 2 . . . A 21 PRO HB2 . 30239 1 208 . 1 1 21 21 PRO HB3 H 1 1.912 0.020 . 2 . . . A 21 PRO HB3 . 30239 1 209 . 1 1 21 21 PRO HD2 H 1 3.752 0.020 . 2 . . . A 21 PRO HD2 . 30239 1 210 . 1 1 21 21 PRO HD3 H 1 3.442 0.020 . 2 . . . A 21 PRO HD3 . 30239 1 211 . 1 1 21 21 PRO CA C 13 63.999 0.3 . 1 . . . A 21 PRO CA . 30239 1 212 . 1 1 21 21 PRO CB C 13 32.291 0.3 . 1 . . . A 21 PRO CB . 30239 1 213 . 1 1 21 21 PRO CD C 13 50.840 0.3 . 1 . . . A 21 PRO CD . 30239 1 214 . 1 1 22 22 ARG H H 1 7.984 0.020 . 1 . . . A 22 ARG H . 30239 1 215 . 1 1 22 22 ARG HA H 1 4.246 0.020 . 1 . . . A 22 ARG HA . 30239 1 216 . 1 1 22 22 ARG HB2 H 1 1.756 0.020 . 2 . . . A 22 ARG HB2 . 30239 1 217 . 1 1 22 22 ARG HB3 H 1 1.930 0.020 . 2 . . . A 22 ARG HB3 . 30239 1 218 . 1 1 22 22 ARG HG2 H 1 1.581 0.020 . 1 . . . A 22 ARG HG2 . 30239 1 219 . 1 1 22 22 ARG HG3 H 1 1.581 0.020 . 1 . . . A 22 ARG HG3 . 30239 1 220 . 1 1 22 22 ARG CA C 13 55.758 0.3 . 1 . . . A 22 ARG CA . 30239 1 221 . 1 1 22 22 ARG CB C 13 28.950 0.3 . 1 . . . A 22 ARG CB . 30239 1 222 . 1 1 22 22 ARG N N 15 116.071 0.3 . 1 . . . A 22 ARG N . 30239 1 223 . 1 1 23 23 THR H H 1 7.691 0.020 . 1 . . . A 23 THR H . 30239 1 224 . 1 1 23 23 THR HA H 1 4.004 0.020 . 1 . . . A 23 THR HA . 30239 1 225 . 1 1 23 23 THR HB H 1 3.867 0.020 . 1 . . . A 23 THR HB . 30239 1 226 . 1 1 23 23 THR HG21 H 1 1.227 0.020 . 1 . . . A 23 THR HG21 . 30239 1 227 . 1 1 23 23 THR HG22 H 1 1.227 0.020 . 1 . . . A 23 THR HG22 . 30239 1 228 . 1 1 23 23 THR HG23 H 1 1.227 0.020 . 1 . . . A 23 THR HG23 . 30239 1 229 . 1 1 23 23 THR CA C 13 63.991 0.3 . 1 . . . A 23 THR CA . 30239 1 230 . 1 1 23 23 THR CB C 13 69.471 0.3 . 1 . . . A 23 THR CB . 30239 1 231 . 1 1 23 23 THR CG2 C 13 22.409 0.3 . 1 . . . A 23 THR CG2 . 30239 1 232 . 1 1 23 23 THR N N 15 117.922 0.3 . 1 . . . A 23 THR N . 30239 1 233 . 1 1 24 24 THR H H 1 8.781 0.020 . 1 . . . A 24 THR H . 30239 1 234 . 1 1 24 24 THR HA H 1 4.446 0.020 . 1 . . . A 24 THR HA . 30239 1 235 . 1 1 24 24 THR HB H 1 4.597 0.020 . 1 . . . A 24 THR HB . 30239 1 236 . 1 1 24 24 THR HG21 H 1 1.267 0.020 . 1 . . . A 24 THR HG21 . 30239 1 237 . 1 1 24 24 THR HG22 H 1 1.267 0.020 . 1 . . . A 24 THR HG22 . 30239 1 238 . 1 1 24 24 THR HG23 H 1 1.267 0.020 . 1 . . . A 24 THR HG23 . 30239 1 239 . 1 1 24 24 THR CA C 13 60.704 0.3 . 1 . . . A 24 THR CA . 30239 1 240 . 1 1 24 24 THR CB C 13 71.662 0.3 . 1 . . . A 24 THR CB . 30239 1 241 . 1 1 24 24 THR CG2 C 13 21.341 0.3 . 1 . . . A 24 THR CG2 . 30239 1 242 . 1 1 24 24 THR N N 15 117.758 0.3 . 1 . . . A 24 THR N . 30239 1 243 . 1 1 25 25 ALA H H 1 9.073 0.020 . 1 . . . A 25 ALA H . 30239 1 244 . 1 1 25 25 ALA HA H 1 3.903 0.020 . 1 . . . A 25 ALA HA . 30239 1 245 . 1 1 25 25 ALA HB1 H 1 1.340 0.020 . 1 . . . A 25 ALA HB1 . 30239 1 246 . 1 1 25 25 ALA HB2 H 1 1.340 0.020 . 1 . . . A 25 ALA HB2 . 30239 1 247 . 1 1 25 25 ALA HB3 H 1 1.340 0.020 . 1 . . . A 25 ALA HB3 . 30239 1 248 . 1 1 25 25 ALA CA C 13 55.183 0.3 . 1 . . . A 25 ALA CA . 30239 1 249 . 1 1 25 25 ALA CB C 13 18.416 0.3 . 1 . . . A 25 ALA CB . 30239 1 250 . 1 1 25 25 ALA N N 15 122.495 0.3 . 1 . . . A 25 ALA N . 30239 1 251 . 1 1 26 26 LYS H H 1 8.330 0.020 . 1 . . . A 26 LYS H . 30239 1 252 . 1 1 26 26 LYS HA H 1 3.764 0.020 . 1 . . . A 26 LYS HA . 30239 1 253 . 1 1 26 26 LYS HB2 H 1 1.730 0.020 . 1 . . . A 26 LYS HB2 . 30239 1 254 . 1 1 26 26 LYS HB3 H 1 1.730 0.020 . 1 . . . A 26 LYS HB3 . 30239 1 255 . 1 1 26 26 LYS HG2 H 1 1.322 0.020 . 2 . . . A 26 LYS HG2 . 30239 1 256 . 1 1 26 26 LYS HG3 H 1 1.367 0.020 . 2 . . . A 26 LYS HG3 . 30239 1 257 . 1 1 26 26 LYS CA C 13 59.634 0.3 . 1 . . . A 26 LYS CA . 30239 1 258 . 1 1 26 26 LYS CB C 13 32.087 0.3 . 1 . . . A 26 LYS CB . 30239 1 259 . 1 1 26 26 LYS CG C 13 24.627 0.3 . 1 . . . A 26 LYS CG . 30239 1 260 . 1 1 26 26 LYS N N 15 116.570 0.3 . 1 . . . A 26 LYS N . 30239 1 261 . 1 1 27 27 ASP H H 1 7.749 0.020 . 1 . . . A 27 ASP H . 30239 1 262 . 1 1 27 27 ASP HA H 1 4.333 0.020 . 1 . . . A 27 ASP HA . 30239 1 263 . 1 1 27 27 ASP HB2 H 1 2.482 0.020 . 2 . . . A 27 ASP HB2 . 30239 1 264 . 1 1 27 27 ASP HB3 H 1 3.000 0.020 . 2 . . . A 27 ASP HB3 . 30239 1 265 . 1 1 27 27 ASP CA C 13 57.046 0.3 . 1 . . . A 27 ASP CA . 30239 1 266 . 1 1 27 27 ASP CB C 13 39.922 0.3 . 1 . . . A 27 ASP CB . 30239 1 267 . 1 1 27 27 ASP N N 15 120.108 0.3 . 1 . . . A 27 ASP N . 30239 1 268 . 1 1 28 28 LEU H H 1 7.922 0.020 . 1 . . . A 28 LEU H . 30239 1 269 . 1 1 28 28 LEU HA H 1 3.988 0.020 . 1 . . . A 28 LEU HA . 30239 1 270 . 1 1 28 28 LEU HB2 H 1 1.191 0.020 . 2 . . . A 28 LEU HB2 . 30239 1 271 . 1 1 28 28 LEU HB3 H 1 2.112 0.020 . 2 . . . A 28 LEU HB3 . 30239 1 272 . 1 1 28 28 LEU HG H 1 1.758 0.020 . 1 . . . A 28 LEU HG . 30239 1 273 . 1 1 28 28 LEU HD11 H 1 0.628 0.020 . 1 . . . A 28 LEU HD11 . 30239 1 274 . 1 1 28 28 LEU HD12 H 1 0.628 0.020 . 1 . . . A 28 LEU HD12 . 30239 1 275 . 1 1 28 28 LEU HD13 H 1 0.628 0.020 . 1 . . . A 28 LEU HD13 . 30239 1 276 . 1 1 28 28 LEU HD21 H 1 0.628 0.020 . 1 . . . A 28 LEU HD21 . 30239 1 277 . 1 1 28 28 LEU HD22 H 1 0.628 0.020 . 1 . . . A 28 LEU HD22 . 30239 1 278 . 1 1 28 28 LEU HD23 H 1 0.628 0.020 . 1 . . . A 28 LEU HD23 . 30239 1 279 . 1 1 28 28 LEU CA C 13 57.456 0.3 . 1 . . . A 28 LEU CA . 30239 1 280 . 1 1 28 28 LEU CB C 13 41.007 0.3 . 1 . . . A 28 LEU CB . 30239 1 281 . 1 1 28 28 LEU CG C 13 25.716 0.3 . 1 . . . A 28 LEU CG . 30239 1 282 . 1 1 28 28 LEU CD1 C 13 25.685 0.3 . 1 . . . A 28 LEU CD1 . 30239 1 283 . 1 1 28 28 LEU N N 15 121.709 0.3 . 1 . . . A 28 LEU N . 30239 1 284 . 1 1 29 29 VAL H H 1 8.182 0.020 . 1 . . . A 29 VAL H . 30239 1 285 . 1 1 29 29 VAL HA H 1 3.354 0.020 . 1 . . . A 29 VAL HA . 30239 1 286 . 1 1 29 29 VAL HB H 1 2.148 0.020 . 1 . . . A 29 VAL HB . 30239 1 287 . 1 1 29 29 VAL HG11 H 1 0.948 0.020 . 1 . . . A 29 VAL HG11 . 30239 1 288 . 1 1 29 29 VAL HG12 H 1 0.948 0.020 . 1 . . . A 29 VAL HG12 . 30239 1 289 . 1 1 29 29 VAL HG13 H 1 0.948 0.020 . 1 . . . A 29 VAL HG13 . 30239 1 290 . 1 1 29 29 VAL HG21 H 1 0.948 0.020 . 1 . . . A 29 VAL HG21 . 30239 1 291 . 1 1 29 29 VAL HG22 H 1 0.948 0.020 . 1 . . . A 29 VAL HG22 . 30239 1 292 . 1 1 29 29 VAL HG23 H 1 0.948 0.020 . 1 . . . A 29 VAL HG23 . 30239 1 293 . 1 1 29 29 VAL CA C 13 67.282 0.3 . 1 . . . A 29 VAL CA . 30239 1 294 . 1 1 29 29 VAL CB C 13 31.777 0.3 . 1 . . . A 29 VAL CB . 30239 1 295 . 1 1 29 29 VAL CG1 C 13 20.397 0.3 . 1 . . . A 29 VAL CG1 . 30239 1 296 . 1 1 29 29 VAL N N 15 119.139 0.3 . 1 . . . A 29 VAL N . 30239 1 297 . 1 1 30 30 LYS H H 1 7.557 0.020 . 1 . . . A 30 LYS H . 30239 1 298 . 1 1 30 30 LYS HA H 1 4.047 0.020 . 1 . . . A 30 LYS HA . 30239 1 299 . 1 1 30 30 LYS HB2 H 1 1.930 0.020 . 1 . . . A 30 LYS HB2 . 30239 1 300 . 1 1 30 30 LYS HB3 H 1 1.930 0.020 . 1 . . . A 30 LYS HB3 . 30239 1 301 . 1 1 30 30 LYS HG2 H 1 1.465 0.020 . 1 . . . A 30 LYS HG2 . 30239 1 302 . 1 1 30 30 LYS HG3 H 1 1.465 0.020 . 1 . . . A 30 LYS HG3 . 30239 1 303 . 1 1 30 30 LYS HD2 H 1 1.651 0.020 . 1 . . . A 30 LYS HD2 . 30239 1 304 . 1 1 30 30 LYS HD3 H 1 1.651 0.020 . 1 . . . A 30 LYS HD3 . 30239 1 305 . 1 1 30 30 LYS HE2 H 1 2.877 0.020 . 1 . . . A 30 LYS HE2 . 30239 1 306 . 1 1 30 30 LYS HE3 H 1 2.877 0.020 . 1 . . . A 30 LYS HE3 . 30239 1 307 . 1 1 30 30 LYS CA C 13 58.502 0.3 . 1 . . . A 30 LYS CA . 30239 1 308 . 1 1 30 30 LYS CB C 13 32.351 0.3 . 1 . . . A 30 LYS CB . 30239 1 309 . 1 1 30 30 LYS CG C 13 27.230 0.3 . 1 . . . A 30 LYS CG . 30239 1 310 . 1 1 30 30 LYS CD C 13 27.877 0.3 . 1 . . . A 30 LYS CD . 30239 1 311 . 1 1 30 30 LYS CE C 13 40.989 0.3 . 1 . . . A 30 LYS CE . 30239 1 312 . 1 1 30 30 LYS N N 15 119.688 0.3 . 1 . . . A 30 LYS N . 30239 1 313 . 1 1 31 31 MET H H 1 7.950 0.020 . 1 . . . A 31 MET H . 30239 1 314 . 1 1 31 31 MET HA H 1 4.060 0.020 . 1 . . . A 31 MET HA . 30239 1 315 . 1 1 31 31 MET HB2 H 1 2.300 0.020 . 1 . . . A 31 MET HB2 . 30239 1 316 . 1 1 31 31 MET HB3 H 1 2.300 0.020 . 1 . . . A 31 MET HB3 . 30239 1 317 . 1 1 31 31 MET HG2 H 1 2.513 0.020 . 1 . . . A 31 MET HG2 . 30239 1 318 . 1 1 31 31 MET HG3 H 1 2.513 0.020 . 1 . . . A 31 MET HG3 . 30239 1 319 . 1 1 31 31 MET HE1 H 1 1.893 0.020 . 1 . . . A 31 MET HE1 . 30239 1 320 . 1 1 31 31 MET HE2 H 1 1.893 0.020 . 1 . . . A 31 MET HE2 . 30239 1 321 . 1 1 31 31 MET HE3 H 1 1.893 0.020 . 1 . . . A 31 MET HE3 . 30239 1 322 . 1 1 31 31 MET CA C 13 58.567 0.3 . 1 . . . A 31 MET CA . 30239 1 323 . 1 1 31 31 MET CB C 13 35.568 0.3 . 1 . . . A 31 MET CB . 30239 1 324 . 1 1 31 31 MET CG C 13 36.053 0.3 . 1 . . . A 31 MET CG . 30239 1 325 . 1 1 31 31 MET CE C 13 16.968 0.3 . 1 . . . A 31 MET CE . 30239 1 326 . 1 1 31 31 MET N N 15 119.115 0.3 . 1 . . . A 31 MET N . 30239 1 327 . 1 1 32 32 LEU H H 1 8.007 0.020 . 1 . . . A 32 LEU H . 30239 1 328 . 1 1 32 32 LEU HA H 1 4.133 0.020 . 1 . . . A 32 LEU HA . 30239 1 329 . 1 1 32 32 LEU HB2 H 1 1.775 0.020 . 1 . . . A 32 LEU HB2 . 30239 1 330 . 1 1 32 32 LEU HB3 H 1 1.775 0.020 . 1 . . . A 32 LEU HB3 . 30239 1 331 . 1 1 32 32 LEU HG H 1 1.339 0.020 . 1 . . . A 32 LEU HG . 30239 1 332 . 1 1 32 32 LEU HD11 H 1 0.665 0.020 . 1 . . . A 32 LEU HD11 . 30239 1 333 . 1 1 32 32 LEU HD12 H 1 0.665 0.020 . 1 . . . A 32 LEU HD12 . 30239 1 334 . 1 1 32 32 LEU HD13 H 1 0.665 0.020 . 1 . . . A 32 LEU HD13 . 30239 1 335 . 1 1 32 32 LEU HD21 H 1 0.665 0.020 . 1 . . . A 32 LEU HD21 . 30239 1 336 . 1 1 32 32 LEU HD22 H 1 0.665 0.020 . 1 . . . A 32 LEU HD22 . 30239 1 337 . 1 1 32 32 LEU HD23 H 1 0.665 0.020 . 1 . . . A 32 LEU HD23 . 30239 1 338 . 1 1 32 32 LEU CA C 13 56.777 0.3 . 1 . . . A 32 LEU CA . 30239 1 339 . 1 1 32 32 LEU CB C 13 40.816 0.3 . 1 . . . A 32 LEU CB . 30239 1 340 . 1 1 32 32 LEU CD1 C 13 25.696 0.3 . 1 . . . A 32 LEU CD1 . 30239 1 341 . 1 1 32 32 LEU N N 15 119.019 0.3 . 1 . . . A 32 LEU N . 30239 1 342 . 1 1 33 33 GLU H H 1 8.346 0.020 . 1 . . . A 33 GLU H . 30239 1 343 . 1 1 33 33 GLU HA H 1 4.561 0.020 . 1 . . . A 33 GLU HA . 30239 1 344 . 1 1 33 33 GLU HB2 H 1 2.116 0.020 . 1 . . . A 33 GLU HB2 . 30239 1 345 . 1 1 33 33 GLU HB3 H 1 2.116 0.020 . 1 . . . A 33 GLU HB3 . 30239 1 346 . 1 1 33 33 GLU HG2 H 1 2.428 0.020 . 1 . . . A 33 GLU HG2 . 30239 1 347 . 1 1 33 33 GLU HG3 H 1 2.428 0.020 . 1 . . . A 33 GLU HG3 . 30239 1 348 . 1 1 33 33 GLU CA C 13 59.750 0.3 . 1 . . . A 33 GLU CA . 30239 1 349 . 1 1 33 33 GLU CB C 13 28.903 0.3 . 1 . . . A 33 GLU CB . 30239 1 350 . 1 1 33 33 GLU CG C 13 35.546 0.3 . 1 . . . A 33 GLU CG . 30239 1 351 . 1 1 33 33 GLU N N 15 122.635 0.3 . 1 . . . A 33 GLU N . 30239 1 352 . 1 1 34 34 GLU H H 1 7.896 0.020 . 1 . . . A 34 GLU H . 30239 1 353 . 1 1 34 34 GLU HA H 1 4.133 0.020 . 1 . . . A 34 GLU HA . 30239 1 354 . 1 1 34 34 GLU HB2 H 1 2.175 0.020 . 1 . . . A 34 GLU HB2 . 30239 1 355 . 1 1 34 34 GLU HB3 H 1 2.175 0.020 . 1 . . . A 34 GLU HB3 . 30239 1 356 . 1 1 34 34 GLU HG2 H 1 2.211 0.020 . 1 . . . A 34 GLU HG2 . 30239 1 357 . 1 1 34 34 GLU HG3 H 1 2.211 0.020 . 1 . . . A 34 GLU HG3 . 30239 1 358 . 1 1 34 34 GLU CA C 13 58.385 0.3 . 1 . . . A 34 GLU CA . 30239 1 359 . 1 1 34 34 GLU CB C 13 29.027 0.3 . 1 . . . A 34 GLU CB . 30239 1 360 . 1 1 34 34 GLU CG C 13 35.570 0.3 . 1 . . . A 34 GLU CG . 30239 1 361 . 1 1 34 34 GLU N N 15 118.905 0.3 . 1 . . . A 34 GLU N . 30239 1 362 . 1 1 35 35 THR H H 1 7.539 0.020 . 1 . . . A 35 THR H . 30239 1 363 . 1 1 35 35 THR HA H 1 4.471 0.020 . 1 . . . A 35 THR HA . 30239 1 364 . 1 1 35 35 THR HB H 1 4.507 0.020 . 1 . . . A 35 THR HB . 30239 1 365 . 1 1 35 35 THR HG21 H 1 1.189 0.020 . 1 . . . A 35 THR HG21 . 30239 1 366 . 1 1 35 35 THR HG22 H 1 1.189 0.020 . 1 . . . A 35 THR HG22 . 30239 1 367 . 1 1 35 35 THR HG23 H 1 1.189 0.020 . 1 . . . A 35 THR HG23 . 30239 1 368 . 1 1 35 35 THR CA C 13 60.732 0.3 . 1 . . . A 35 THR CA . 30239 1 369 . 1 1 35 35 THR CB C 13 68.402 0.3 . 1 . . . A 35 THR CB . 30239 1 370 . 1 1 35 35 THR CG2 C 13 21.313 0.3 . 1 . . . A 35 THR CG2 . 30239 1 371 . 1 1 35 35 THR N N 15 107.147 0.3 . 1 . . . A 35 THR N . 30239 1 372 . 1 1 36 36 GLY H H 1 7.760 0.020 . 1 . . . A 36 GLY H . 30239 1 373 . 1 1 36 36 GLY HA2 H 1 4.314 0.020 . 2 . . . A 36 GLY HA2 . 30239 1 374 . 1 1 36 36 GLY HA3 H 1 3.653 0.020 . 2 . . . A 36 GLY HA3 . 30239 1 375 . 1 1 36 36 GLY CA C 13 45.397 0.3 . 1 . . . A 36 GLY CA . 30239 1 376 . 1 1 36 36 GLY N N 15 108.269 0.3 . 1 . . . A 36 GLY N . 30239 1 377 . 1 1 37 37 THR H H 1 7.953 0.020 . 1 . . . A 37 THR H . 30239 1 378 . 1 1 37 37 THR HA H 1 4.357 0.020 . 1 . . . A 37 THR HA . 30239 1 379 . 1 1 37 37 THR HB H 1 3.656 0.020 . 1 . . . A 37 THR HB . 30239 1 380 . 1 1 37 37 THR HG21 H 1 0.972 0.020 . 1 . . . A 37 THR HG21 . 30239 1 381 . 1 1 37 37 THR HG22 H 1 0.972 0.020 . 1 . . . A 37 THR HG22 . 30239 1 382 . 1 1 37 37 THR HG23 H 1 0.972 0.020 . 1 . . . A 37 THR HG23 . 30239 1 383 . 1 1 37 37 THR CA C 13 61.814 0.3 . 1 . . . A 37 THR CA . 30239 1 384 . 1 1 37 37 THR CB C 13 69.471 0.3 . 1 . . . A 37 THR CB . 30239 1 385 . 1 1 37 37 THR CG2 C 13 21.331 0.3 . 1 . . . A 37 THR CG2 . 30239 1 386 . 1 1 37 37 THR N N 15 119.889 0.3 . 1 . . . A 37 THR N . 30239 1 387 . 1 1 38 38 LYS H H 1 8.592 0.020 . 1 . . . A 38 LYS H . 30239 1 388 . 1 1 38 38 LYS HA H 1 4.385 0.020 . 1 . . . A 38 LYS HA . 30239 1 389 . 1 1 38 38 LYS HB3 H 1 1.628 0.020 . 1 . . . A 38 LYS HB3 . 30239 1 390 . 1 1 38 38 LYS HG3 H 1 1.312 0.020 . 1 . . . A 38 LYS HG3 . 30239 1 391 . 1 1 38 38 LYS CA C 13 55.137 0.3 . 1 . . . A 38 LYS CA . 30239 1 392 . 1 1 38 38 LYS CB C 13 32.350 0.3 . 1 . . . A 38 LYS CB . 30239 1 393 . 1 1 38 38 LYS N N 15 129.080 0.3 . 1 . . . A 38 LYS N . 30239 1 394 . 1 1 39 39 VAL H H 1 8.234 0.020 . 1 . . . A 39 VAL H . 30239 1 395 . 1 1 39 39 VAL HA H 1 4.580 0.020 . 1 . . . A 39 VAL HA . 30239 1 396 . 1 1 39 39 VAL HB H 1 1.972 0.020 . 1 . . . A 39 VAL HB . 30239 1 397 . 1 1 39 39 VAL HG11 H 1 0.800 0.020 . 2 . . . A 39 VAL HG11 . 30239 1 398 . 1 1 39 39 VAL HG12 H 1 0.800 0.020 . 2 . . . A 39 VAL HG12 . 30239 1 399 . 1 1 39 39 VAL HG13 H 1 0.800 0.020 . 2 . . . A 39 VAL HG13 . 30239 1 400 . 1 1 39 39 VAL HG21 H 1 0.747 0.020 . 2 . . . A 39 VAL HG21 . 30239 1 401 . 1 1 39 39 VAL HG22 H 1 0.747 0.020 . 2 . . . A 39 VAL HG22 . 30239 1 402 . 1 1 39 39 VAL HG23 H 1 0.747 0.020 . 2 . . . A 39 VAL HG23 . 30239 1 403 . 1 1 39 39 VAL CA C 13 58.558 0.3 . 1 . . . A 39 VAL CA . 30239 1 404 . 1 1 39 39 VAL CB C 13 35.558 0.3 . 1 . . . A 39 VAL CB . 30239 1 405 . 1 1 39 39 VAL CG1 C 13 20.011 0.3 . 1 . . . A 39 VAL CG1 . 30239 1 406 . 1 1 39 39 VAL CG2 C 13 20.011 0.3 . 1 . . . A 39 VAL CG2 . 30239 1 407 . 1 1 39 39 VAL N N 15 120.322 0.3 . 1 . . . A 39 VAL N . 30239 1 408 . 1 1 40 40 SER H H 1 8.180 0.020 . 1 . . . A 40 SER H . 30239 1 409 . 1 1 40 40 SER HA H 1 4.585 0.020 . 1 . . . A 40 SER HA . 30239 1 410 . 1 1 40 40 SER HB2 H 1 4.266 0.020 . 1 . . . A 40 SER HB2 . 30239 1 411 . 1 1 40 40 SER HB3 H 1 4.266 0.020 . 1 . . . A 40 SER HB3 . 30239 1 412 . 1 1 40 40 SER CA C 13 56.320 0.3 . 1 . . . A 40 SER CA . 30239 1 413 . 1 1 40 40 SER CB C 13 65.465 0.3 . 1 . . . A 40 SER CB . 30239 1 414 . 1 1 40 40 SER N N 15 116.025 0.3 . 1 . . . A 40 SER N . 30239 1 415 . 1 1 41 41 ILE H H 1 8.902 0.020 . 1 . . . A 41 ILE H . 30239 1 416 . 1 1 41 41 ILE HA H 1 3.544 0.020 . 1 . . . A 41 ILE HA . 30239 1 417 . 1 1 41 41 ILE HB H 1 1.871 0.020 . 1 . . . A 41 ILE HB . 30239 1 418 . 1 1 41 41 ILE HG12 H 1 1.075 0.020 . 2 . . . A 41 ILE HG12 . 30239 1 419 . 1 1 41 41 ILE HG13 H 1 1.632 0.020 . 2 . . . A 41 ILE HG13 . 30239 1 420 . 1 1 41 41 ILE HG21 H 1 0.839 0.020 . 1 . . . A 41 ILE HG21 . 30239 1 421 . 1 1 41 41 ILE HG22 H 1 0.839 0.020 . 1 . . . A 41 ILE HG22 . 30239 1 422 . 1 1 41 41 ILE HG23 H 1 0.839 0.020 . 1 . . . A 41 ILE HG23 . 30239 1 423 . 1 1 41 41 ILE HD11 H 1 0.816 0.020 . 1 . . . A 41 ILE HD11 . 30239 1 424 . 1 1 41 41 ILE HD12 H 1 0.816 0.020 . 1 . . . A 41 ILE HD12 . 30239 1 425 . 1 1 41 41 ILE HD13 H 1 0.816 0.020 . 1 . . . A 41 ILE HD13 . 30239 1 426 . 1 1 41 41 ILE CA C 13 63.963 0.3 . 1 . . . A 41 ILE CA . 30239 1 427 . 1 1 41 41 ILE CB C 13 37.732 0.3 . 1 . . . A 41 ILE CB . 30239 1 428 . 1 1 41 41 ILE CG1 C 13 29.057 0.3 . 1 . . . A 41 ILE CG1 . 30239 1 429 . 1 1 41 41 ILE CG2 C 13 16.978 0.3 . 1 . . . A 41 ILE CG2 . 30239 1 430 . 1 1 41 41 ILE CD1 C 13 13.706 0.3 . 1 . . . A 41 ILE CD1 . 30239 1 431 . 1 1 41 41 ILE N N 15 121.975 0.3 . 1 . . . A 41 ILE N . 30239 1 432 . 1 1 42 42 SER H H 1 8.277 0.020 . 1 . . . A 42 SER H . 30239 1 433 . 1 1 42 42 SER HA H 1 4.259 0.020 . 1 . . . A 42 SER HA . 30239 1 434 . 1 1 42 42 SER HB2 H 1 3.817 0.020 . 2 . . . A 42 SER HB2 . 30239 1 435 . 1 1 42 42 SER HB3 H 1 3.985 0.020 . 2 . . . A 42 SER HB3 . 30239 1 436 . 1 1 42 42 SER CA C 13 61.429 0.3 . 1 . . . A 42 SER CA . 30239 1 437 . 1 1 42 42 SER CB C 13 62.056 0.3 . 1 . . . A 42 SER CB . 30239 1 438 . 1 1 42 42 SER N N 15 114.947 0.3 . 1 . . . A 42 SER N . 30239 1 439 . 1 1 43 43 THR H H 1 7.807 0.020 . 1 . . . A 43 THR H . 30239 1 440 . 1 1 43 43 THR HA H 1 4.262 0.020 . 1 . . . A 43 THR HA . 30239 1 441 . 1 1 43 43 THR HB H 1 3.907 0.020 . 1 . . . A 43 THR HB . 30239 1 442 . 1 1 43 43 THR HG21 H 1 1.153 0.020 . 1 . . . A 43 THR HG21 . 30239 1 443 . 1 1 43 43 THR HG22 H 1 1.153 0.020 . 1 . . . A 43 THR HG22 . 30239 1 444 . 1 1 43 43 THR HG23 H 1 1.153 0.020 . 1 . . . A 43 THR HG23 . 30239 1 445 . 1 1 43 43 THR CA C 13 66.520 0.3 . 1 . . . A 43 THR CA . 30239 1 446 . 1 1 43 43 THR CB C 13 66.301 0.3 . 1 . . . A 43 THR CB . 30239 1 447 . 1 1 43 43 THR CG2 C 13 21.762 0.3 . 1 . . . A 43 THR CG2 . 30239 1 448 . 1 1 43 43 THR N N 15 120.757 0.3 . 1 . . . A 43 THR N . 30239 1 449 . 1 1 44 44 VAL H H 1 7.468 0.020 . 1 . . . A 44 VAL H . 30239 1 450 . 1 1 44 44 VAL HA H 1 3.298 0.020 . 1 . . . A 44 VAL HA . 30239 1 451 . 1 1 44 44 VAL HB H 1 2.104 0.020 . 1 . . . A 44 VAL HB . 30239 1 452 . 1 1 44 44 VAL HG11 H 1 0.863 0.020 . 1 . . . A 44 VAL HG11 . 30239 1 453 . 1 1 44 44 VAL HG12 H 1 0.863 0.020 . 1 . . . A 44 VAL HG12 . 30239 1 454 . 1 1 44 44 VAL HG13 H 1 0.863 0.020 . 1 . . . A 44 VAL HG13 . 30239 1 455 . 1 1 44 44 VAL HG21 H 1 0.863 0.020 . 1 . . . A 44 VAL HG21 . 30239 1 456 . 1 1 44 44 VAL HG22 H 1 0.863 0.020 . 1 . . . A 44 VAL HG22 . 30239 1 457 . 1 1 44 44 VAL HG23 H 1 0.863 0.020 . 1 . . . A 44 VAL HG23 . 30239 1 458 . 1 1 44 44 VAL CB C 13 31.231 0.3 . 1 . . . A 44 VAL CB . 30239 1 459 . 1 1 44 44 VAL CG1 C 13 22.409 0.3 . 1 . . . A 44 VAL CG1 . 30239 1 460 . 1 1 44 44 VAL N N 15 120.024 0.3 . 1 . . . A 44 VAL N . 30239 1 461 . 1 1 45 45 LYS H H 1 8.565 0.020 . 1 . . . A 45 LYS H . 30239 1 462 . 1 1 45 45 LYS HA H 1 3.650 0.020 . 1 . . . A 45 LYS HA . 30239 1 463 . 1 1 45 45 LYS HB2 H 1 1.757 0.020 . 1 . . . A 45 LYS HB2 . 30239 1 464 . 1 1 45 45 LYS HB3 H 1 1.757 0.020 . 1 . . . A 45 LYS HB3 . 30239 1 465 . 1 1 45 45 LYS HG2 H 1 1.206 0.020 . 1 . . . A 45 LYS HG2 . 30239 1 466 . 1 1 45 45 LYS HG3 H 1 1.206 0.020 . 1 . . . A 45 LYS HG3 . 30239 1 467 . 1 1 45 45 LYS HD2 H 1 1.574 0.020 . 1 . . . A 45 LYS HD2 . 30239 1 468 . 1 1 45 45 LYS HD3 H 1 1.574 0.020 . 1 . . . A 45 LYS HD3 . 30239 1 469 . 1 1 45 45 LYS HE2 H 1 2.740 0.020 . 1 . . . A 45 LYS HE2 . 30239 1 470 . 1 1 45 45 LYS HE3 H 1 2.740 0.020 . 1 . . . A 45 LYS HE3 . 30239 1 471 . 1 1 45 45 LYS CA C 13 60.886 0.3 . 1 . . . A 45 LYS CA . 30239 1 472 . 1 1 45 45 LYS CB C 13 31.804 0.3 . 1 . . . A 45 LYS CB . 30239 1 473 . 1 1 45 45 LYS CG C 13 26.633 0.3 . 1 . . . A 45 LYS CG . 30239 1 474 . 1 1 45 45 LYS CE C 13 41.032 0.3 . 1 . . . A 45 LYS CE . 30239 1 475 . 1 1 45 45 LYS N N 15 117.782 0.3 . 1 . . . A 45 LYS N . 30239 1 476 . 1 1 46 46 ARG H H 1 7.790 0.020 . 1 . . . A 46 ARG H . 30239 1 477 . 1 1 46 46 ARG HA H 1 4.001 0.020 . 1 . . . A 46 ARG HA . 30239 1 478 . 1 1 46 46 ARG HB2 H 1 1.912 0.020 . 1 . . . A 46 ARG HB2 . 30239 1 479 . 1 1 46 46 ARG HB3 H 1 1.912 0.020 . 1 . . . A 46 ARG HB3 . 30239 1 480 . 1 1 46 46 ARG HG2 H 1 1.573 0.020 . 1 . . . A 46 ARG HG2 . 30239 1 481 . 1 1 46 46 ARG HG3 H 1 1.573 0.020 . 1 . . . A 46 ARG HG3 . 30239 1 482 . 1 1 46 46 ARG CA C 13 59.345 0.3 . 1 . . . A 46 ARG CA . 30239 1 483 . 1 1 46 46 ARG CB C 13 29.560 0.3 . 1 . . . A 46 ARG CB . 30239 1 484 . 1 1 46 46 ARG N N 15 118.405 0.3 . 1 . . . A 46 ARG N . 30239 1 485 . 1 1 47 47 VAL H H 1 7.717 0.020 . 1 . . . A 47 VAL H . 30239 1 486 . 1 1 47 47 VAL HA H 1 3.605 0.020 . 1 . . . A 47 VAL HA . 30239 1 487 . 1 1 47 47 VAL HB H 1 2.151 0.020 . 1 . . . A 47 VAL HB . 30239 1 488 . 1 1 47 47 VAL HG11 H 1 0.965 0.020 . 2 . . . A 47 VAL HG11 . 30239 1 489 . 1 1 47 47 VAL HG12 H 1 0.965 0.020 . 2 . . . A 47 VAL HG12 . 30239 1 490 . 1 1 47 47 VAL HG13 H 1 0.965 0.020 . 2 . . . A 47 VAL HG13 . 30239 1 491 . 1 1 47 47 VAL HG21 H 1 0.818 0.020 . 2 . . . A 47 VAL HG21 . 30239 1 492 . 1 1 47 47 VAL HG22 H 1 0.818 0.020 . 2 . . . A 47 VAL HG22 . 30239 1 493 . 1 1 47 47 VAL HG23 H 1 0.818 0.020 . 2 . . . A 47 VAL HG23 . 30239 1 494 . 1 1 47 47 VAL CA C 13 66.156 0.3 . 1 . . . A 47 VAL CA . 30239 1 495 . 1 1 47 47 VAL CB C 13 31.259 0.3 . 1 . . . A 47 VAL CB . 30239 1 496 . 1 1 47 47 VAL CG1 C 13 22.409 0.3 . 1 . . . A 47 VAL CG1 . 30239 1 497 . 1 1 47 47 VAL CG2 C 13 21.313 0.3 . 1 . . . A 47 VAL CG2 . 30239 1 498 . 1 1 47 47 VAL N N 15 119.359 0.3 . 1 . . . A 47 VAL N . 30239 1 499 . 1 1 48 48 LEU H H 1 8.062 0.020 . 1 . . . A 48 LEU H . 30239 1 500 . 1 1 48 48 LEU HA H 1 3.987 0.020 . 1 . . . A 48 LEU HA . 30239 1 501 . 1 1 48 48 LEU HB2 H 1 1.823 0.020 . 1 . . . A 48 LEU HB2 . 30239 1 502 . 1 1 48 48 LEU HB3 H 1 1.823 0.020 . 1 . . . A 48 LEU HB3 . 30239 1 503 . 1 1 48 48 LEU HD11 H 1 0.585 0.020 . 2 . . . A 48 LEU HD11 . 30239 1 504 . 1 1 48 48 LEU HD12 H 1 0.585 0.020 . 2 . . . A 48 LEU HD12 . 30239 1 505 . 1 1 48 48 LEU HD13 H 1 0.585 0.020 . 2 . . . A 48 LEU HD13 . 30239 1 506 . 1 1 48 48 LEU HD21 H 1 0.317 0.020 . 2 . . . A 48 LEU HD21 . 30239 1 507 . 1 1 48 48 LEU HD22 H 1 0.317 0.020 . 2 . . . A 48 LEU HD22 . 30239 1 508 . 1 1 48 48 LEU HD23 H 1 0.317 0.020 . 2 . . . A 48 LEU HD23 . 30239 1 509 . 1 1 48 48 LEU CA C 13 54.740 0.3 . 1 . . . A 48 LEU CA . 30239 1 510 . 1 1 48 48 LEU CB C 13 43.214 0.3 . 1 . . . A 48 LEU CB . 30239 1 511 . 1 1 48 48 LEU CD1 C 13 22.428 0.3 . 1 . . . A 48 LEU CD1 . 30239 1 512 . 1 1 48 48 LEU CD2 C 13 21.343 0.3 . 1 . . . A 48 LEU CD2 . 30239 1 513 . 1 1 48 48 LEU N N 15 117.922 0.3 . 1 . . . A 48 LEU N . 30239 1 514 . 1 1 49 49 TYR H H 1 8.356 0.020 . 1 . . . A 49 TYR H . 30239 1 515 . 1 1 49 49 TYR HA H 1 4.405 0.020 . 1 . . . A 49 TYR HA . 30239 1 516 . 1 1 49 49 TYR HB2 H 1 3.106 0.020 . 1 . . . A 49 TYR HB2 . 30239 1 517 . 1 1 49 49 TYR HB3 H 1 3.106 0.020 . 1 . . . A 49 TYR HB3 . 30239 1 518 . 1 1 49 49 TYR HD1 H 1 7.069 0.020 . 1 . . . A 49 TYR HD1 . 30239 1 519 . 1 1 49 49 TYR HD2 H 1 7.069 0.020 . 1 . . . A 49 TYR HD2 . 30239 1 520 . 1 1 49 49 TYR HE1 H 1 6.734 0.020 . 1 . . . A 49 TYR HE1 . 30239 1 521 . 1 1 49 49 TYR HE2 H 1 6.734 0.020 . 1 . . . A 49 TYR HE2 . 30239 1 522 . 1 1 49 49 TYR CA C 13 60.305 0.3 . 1 . . . A 49 TYR CA . 30239 1 523 . 1 1 49 49 TYR CB C 13 37.392 0.3 . 1 . . . A 49 TYR CB . 30239 1 524 . 1 1 49 49 TYR CD1 C 13 133.430 0.3 . 1 . . . A 49 TYR CD1 . 30239 1 525 . 1 1 49 49 TYR CE1 C 13 118.061 0.3 . 1 . . . A 49 TYR CE1 . 30239 1 526 . 1 1 49 49 TYR N N 15 119.104 0.3 . 1 . . . A 49 TYR N . 30239 1 527 . 1 1 50 50 ARG H H 1 8.153 0.020 . 1 . . . A 50 ARG H . 30239 1 528 . 1 1 50 50 ARG HA H 1 3.981 0.020 . 1 . . . A 50 ARG HA . 30239 1 529 . 1 1 50 50 ARG HB2 H 1 1.574 0.020 . 1 . . . A 50 ARG HB2 . 30239 1 530 . 1 1 50 50 ARG HB3 H 1 1.574 0.020 . 1 . . . A 50 ARG HB3 . 30239 1 531 . 1 1 50 50 ARG CA C 13 58.112 0.3 . 1 . . . A 50 ARG CA . 30239 1 532 . 1 1 50 50 ARG CB C 13 27.861 0.3 . 1 . . . A 50 ARG CB . 30239 1 533 . 1 1 50 50 ARG N N 15 119.327 0.3 . 1 . . . A 50 ARG N . 30239 1 534 . 1 1 52 52 ASN H H 1 8.104 0.020 . 1 . . . A 52 ASN H . 30239 1 535 . 1 1 52 52 ASN HA H 1 4.473 0.020 . 1 . . . A 52 ASN HA . 30239 1 536 . 1 1 52 52 ASN HB2 H 1 2.685 0.020 . 2 . . . A 52 ASN HB2 . 30239 1 537 . 1 1 52 52 ASN HB3 H 1 2.929 0.020 . 2 . . . A 52 ASN HB3 . 30239 1 538 . 1 1 52 52 ASN HD21 H 1 6.833 0.020 . 1 . . . A 52 ASN HD21 . 30239 1 539 . 1 1 52 52 ASN HD22 H 1 7.532 0.020 . 1 . . . A 52 ASN HD22 . 30239 1 540 . 1 1 52 52 ASN CA C 13 54.051 0.3 . 1 . . . A 52 ASN CA . 30239 1 541 . 1 1 52 52 ASN CB C 13 36.661 0.3 . 1 . . . A 52 ASN CB . 30239 1 542 . 1 1 52 52 ASN N N 15 116.505 0.3 . 1 . . . A 52 ASN N . 30239 1 543 . 1 1 52 52 ASN ND2 N 15 112.110 0.3 . 1 . . . A 52 ASN ND2 . 30239 1 544 . 1 1 53 53 LEU H H 1 8.063 0.020 . 1 . . . A 53 LEU H . 30239 1 545 . 1 1 53 53 LEU HA H 1 4.419 0.020 . 1 . . . A 53 LEU HA . 30239 1 546 . 1 1 53 53 LEU HB2 H 1 1.547 0.020 . 1 . . . A 53 LEU HB2 . 30239 1 547 . 1 1 53 53 LEU HB3 H 1 1.547 0.020 . 1 . . . A 53 LEU HB3 . 30239 1 548 . 1 1 53 53 LEU HD11 H 1 0.809 0.020 . 1 . . . A 53 LEU HD11 . 30239 1 549 . 1 1 53 53 LEU HD12 H 1 0.809 0.020 . 1 . . . A 53 LEU HD12 . 30239 1 550 . 1 1 53 53 LEU HD13 H 1 0.809 0.020 . 1 . . . A 53 LEU HD13 . 30239 1 551 . 1 1 53 53 LEU HD21 H 1 0.809 0.020 . 1 . . . A 53 LEU HD21 . 30239 1 552 . 1 1 53 53 LEU HD22 H 1 0.809 0.020 . 1 . . . A 53 LEU HD22 . 30239 1 553 . 1 1 53 53 LEU HD23 H 1 0.809 0.020 . 1 . . . A 53 LEU HD23 . 30239 1 554 . 1 1 53 53 LEU CA C 13 54.125 0.3 . 1 . . . A 53 LEU CA . 30239 1 555 . 1 1 53 53 LEU CB C 13 42.071 0.3 . 1 . . . A 53 LEU CB . 30239 1 556 . 1 1 53 53 LEU N N 15 118.960 0.3 . 1 . . . A 53 LEU N . 30239 1 557 . 1 1 54 54 LYS H H 1 7.921 0.020 . 1 . . . A 54 LYS H . 30239 1 558 . 1 1 54 54 LYS HA H 1 4.249 0.020 . 1 . . . A 54 LYS HA . 30239 1 559 . 1 1 54 54 LYS HB2 H 1 1.763 0.020 . 1 . . . A 54 LYS HB2 . 30239 1 560 . 1 1 54 54 LYS HB3 H 1 1.763 0.020 . 1 . . . A 54 LYS HB3 . 30239 1 561 . 1 1 54 54 LYS HG2 H 1 1.326 0.020 . 1 . . . A 54 LYS HG2 . 30239 1 562 . 1 1 54 54 LYS HG3 H 1 1.326 0.020 . 1 . . . A 54 LYS HG3 . 30239 1 563 . 1 1 54 54 LYS HD2 H 1 1.577 0.020 . 1 . . . A 54 LYS HD2 . 30239 1 564 . 1 1 54 54 LYS HD3 H 1 1.577 0.020 . 1 . . . A 54 LYS HD3 . 30239 1 565 . 1 1 54 54 LYS CA C 13 55.897 0.3 . 1 . . . A 54 LYS CA . 30239 1 566 . 1 1 54 54 LYS CB C 13 33.548 0.3 . 1 . . . A 54 LYS CB . 30239 1 567 . 1 1 54 54 LYS N N 15 119.125 0.3 . 1 . . . A 54 LYS N . 30239 1 568 . 1 1 55 55 GLY H H 1 8.472 0.020 . 1 . . . A 55 GLY H . 30239 1 569 . 1 1 55 55 GLY HA2 H 1 3.949 0.020 . 2 . . . A 55 GLY HA2 . 30239 1 570 . 1 1 55 55 GLY HA3 H 1 3.901 0.020 . 2 . . . A 55 GLY HA3 . 30239 1 571 . 1 1 55 55 GLY CA C 13 44.929 0.3 . 1 . . . A 55 GLY CA . 30239 1 572 . 1 1 55 55 GLY N N 15 109.823 0.3 . 1 . . . A 55 GLY N . 30239 1 573 . 1 1 56 56 ARG H H 1 8.277 0.020 . 1 . . . A 56 ARG H . 30239 1 574 . 1 1 56 56 ARG HA H 1 4.160 0.020 . 1 . . . A 56 ARG HA . 30239 1 575 . 1 1 56 56 ARG HB2 H 1 1.811 0.020 . 1 . . . A 56 ARG HB2 . 30239 1 576 . 1 1 56 56 ARG HB3 H 1 1.811 0.020 . 1 . . . A 56 ARG HB3 . 30239 1 577 . 1 1 56 56 ARG CA C 13 56.471 0.3 . 1 . . . A 56 ARG CA . 30239 1 578 . 1 1 56 56 ARG CB C 13 30.238 0.3 . 1 . . . A 56 ARG CB . 30239 1 579 . 1 1 56 56 ARG N N 15 120.521 0.3 . 1 . . . A 56 ARG N . 30239 1 580 . 1 1 57 57 SER H H 1 8.458 0.020 . 1 . . . A 57 SER H . 30239 1 581 . 1 1 57 57 SER HA H 1 4.324 0.020 . 1 . . . A 57 SER HA . 30239 1 582 . 1 1 57 57 SER HB2 H 1 3.821 0.020 . 1 . . . A 57 SER HB2 . 30239 1 583 . 1 1 57 57 SER HB3 H 1 3.821 0.020 . 1 . . . A 57 SER HB3 . 30239 1 584 . 1 1 57 57 SER HG H 1 1.560 0.020 . 1 . . . A 57 SER HG . 30239 1 585 . 1 1 57 57 SER CA C 13 58.621 0.3 . 1 . . . A 57 SER CA . 30239 1 586 . 1 1 57 57 SER CB C 13 63.167 0.3 . 1 . . . A 57 SER CB . 30239 1 587 . 1 1 57 57 SER N N 15 116.517 0.3 . 1 . . . A 57 SER N . 30239 1 588 . 1 1 58 58 ALA H H 1 8.261 0.020 . 1 . . . A 58 ALA H . 30239 1 589 . 1 1 58 58 ALA HA H 1 4.259 0.020 . 1 . . . A 58 ALA HA . 30239 1 590 . 1 1 58 58 ALA HB1 H 1 1.377 0.020 . 1 . . . A 58 ALA HB1 . 30239 1 591 . 1 1 58 58 ALA HB2 H 1 1.377 0.020 . 1 . . . A 58 ALA HB2 . 30239 1 592 . 1 1 58 58 ALA HB3 H 1 1.377 0.020 . 1 . . . A 58 ALA HB3 . 30239 1 593 . 1 1 58 58 ALA CA C 13 52.356 0.3 . 1 . . . A 58 ALA CA . 30239 1 594 . 1 1 58 58 ALA CB C 13 18.689 0.3 . 1 . . . A 58 ALA CB . 30239 1 595 . 1 1 58 58 ALA N N 15 125.301 0.3 . 1 . . . A 58 ALA N . 30239 1 596 . 1 1 59 59 ARG H H 1 8.162 0.020 . 1 . . . A 59 ARG H . 30239 1 597 . 1 1 59 59 ARG HA H 1 4.163 0.020 . 1 . . . A 59 ARG HA . 30239 1 598 . 1 1 59 59 ARG HB2 H 1 1.776 0.020 . 1 . . . A 59 ARG HB2 . 30239 1 599 . 1 1 59 59 ARG HB3 H 1 1.776 0.020 . 1 . . . A 59 ARG HB3 . 30239 1 600 . 1 1 59 59 ARG HG2 H 1 1.774 0.020 . 1 . . . A 59 ARG HG2 . 30239 1 601 . 1 1 59 59 ARG HG3 H 1 1.774 0.020 . 1 . . . A 59 ARG HG3 . 30239 1 602 . 1 1 59 59 ARG HD2 H 1 3.114 0.020 . 1 . . . A 59 ARG HD2 . 30239 1 603 . 1 1 59 59 ARG HD3 H 1 3.114 0.020 . 1 . . . A 59 ARG HD3 . 30239 1 604 . 1 1 59 59 ARG CA C 13 56.443 0.3 . 1 . . . A 59 ARG CA . 30239 1 605 . 1 1 59 59 ARG CB C 13 30.317 0.3 . 1 . . . A 59 ARG CB . 30239 1 606 . 1 1 59 59 ARG CG C 13 29.028 0.3 . 1 . . . A 59 ARG CG . 30239 1 607 . 1 1 59 59 ARG N N 15 119.327 0.3 . 1 . . . A 59 ARG N . 30239 1 608 . 1 1 60 60 LYS H H 1 8.230 0.020 . 1 . . . A 60 LYS H . 30239 1 609 . 1 1 60 60 LYS HA H 1 4.215 0.020 . 1 . . . A 60 LYS HA . 30239 1 610 . 1 1 60 60 LYS HB2 H 1 1.763 0.020 . 1 . . . A 60 LYS HB2 . 30239 1 611 . 1 1 60 60 LYS HB3 H 1 1.763 0.020 . 1 . . . A 60 LYS HB3 . 30239 1 612 . 1 1 60 60 LYS HG2 H 1 1.403 0.020 . 1 . . . A 60 LYS HG2 . 30239 1 613 . 1 1 60 60 LYS HG3 H 1 1.403 0.020 . 1 . . . A 60 LYS HG3 . 30239 1 614 . 1 1 60 60 LYS N N 15 121.728 0.3 . 1 . . . A 60 LYS N . 30239 1 615 . 1 1 61 61 LEU H H 1 8.134 0.020 . 1 . . . A 61 LEU H . 30239 1 616 . 1 1 61 61 LEU HA H 1 4.254 0.020 . 1 . . . A 61 LEU HA . 30239 1 617 . 1 1 61 61 LEU HB2 H 1 1.492 0.020 . 2 . . . A 61 LEU HB2 . 30239 1 618 . 1 1 61 61 LEU HB3 H 1 1.582 0.020 . 2 . . . A 61 LEU HB3 . 30239 1 619 . 1 1 61 61 LEU CA C 13 54.606 0.3 . 1 . . . A 61 LEU CA . 30239 1 620 . 1 1 61 61 LEU CB C 13 42.061 0.3 . 1 . . . A 61 LEU CB . 30239 1 621 . 1 1 61 61 LEU N N 15 122.537 0.3 . 1 . . . A 61 LEU N . 30239 1 622 . 1 1 62 62 GLU H H 1 8.170 0.020 . 1 . . . A 62 GLU H . 30239 1 623 . 1 1 62 62 GLU HA H 1 4.164 0.020 . 1 . . . A 62 GLU HA . 30239 1 624 . 1 1 62 62 GLU HB2 H 1 1.835 0.020 . 1 . . . A 62 GLU HB2 . 30239 1 625 . 1 1 62 62 GLU HB3 H 1 1.835 0.020 . 1 . . . A 62 GLU HB3 . 30239 1 626 . 1 1 62 62 GLU HG2 H 1 2.162 0.020 . 1 . . . A 62 GLU HG2 . 30239 1 627 . 1 1 62 62 GLU HG3 H 1 2.162 0.020 . 1 . . . A 62 GLU HG3 . 30239 1 628 . 1 1 62 62 GLU CA C 13 55.886 0.3 . 1 . . . A 62 GLU CA . 30239 1 629 . 1 1 62 62 GLU CB C 13 30.128 0.3 . 1 . . . A 62 GLU CB . 30239 1 630 . 1 1 62 62 GLU N N 15 120.848 0.3 . 1 . . . A 62 GLU N . 30239 1 stop_ save_