data_30680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30680 _Entry.Title ; Sleeping Beauty transposase PAI subdomain mutant - H19Y ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-24 _Entry.Accession_date 2019-10-24 _Entry.Last_release_date 2019-11-25 _Entry.Original_release_date 2019-11-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30680 stop_ 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 I. Nesmelova I. V. . . 30680 2 G. Leighton G. O. . . 30680 3 C. Yan C. . . . 30680 4 J. Lustig J. . . . 30680 5 R. Corona R. I. . . 30680 6 J. Guo J. T. . . 30680 7 Z. Ivics Z. . . . 30680 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 30680 transposase . 30680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 143 30680 '15N chemical shifts' 55 30680 '1H chemical shifts' 360 30680 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 . . 2020-10-23 . original BMRB . 30680 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6URS . 30680 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30680 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; H19Y mutation in the primary DNA-recognition subdomain of the Sleeping Beauty transposase improves structural stability, transposon DNA-binding and transposition ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 I. Nesmelova I. V. . . 30680 1 2 G. Leighton G. O. . . 30680 1 3 C. Yan C. . . . 30680 1 4 J. Lustig J. . . . 30680 1 5 R. Corona R. I. . . 30680 1 6 J. Guo J. T. . . 30680 1 7 Z. Ivics Z. . . . 30680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30680 _Assembly.ID 1 _Assembly.Name 'BAH domain-containing 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 . . . . . . 30680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30680 _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 ; ASMGKSKEISQDLRKRIVDL YKSGSSLGAISKRLAVPRSS VQTIVRKYKHHGTTQHH ; _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 57 _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 H19Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6389.402 _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 . 30680 1 2 . SER . 30680 1 3 . MET . 30680 1 4 . GLY . 30680 1 5 . LYS . 30680 1 6 . SER . 30680 1 7 . LYS . 30680 1 8 . GLU . 30680 1 9 . ILE . 30680 1 10 . SER . 30680 1 11 . GLN . 30680 1 12 . ASP . 30680 1 13 . LEU . 30680 1 14 . ARG . 30680 1 15 . LYS . 30680 1 16 . ARG . 30680 1 17 . ILE . 30680 1 18 . VAL . 30680 1 19 . ASP . 30680 1 20 . LEU . 30680 1 21 . TYR . 30680 1 22 . LYS . 30680 1 23 . SER . 30680 1 24 . GLY . 30680 1 25 . SER . 30680 1 26 . SER . 30680 1 27 . LEU . 30680 1 28 . GLY . 30680 1 29 . ALA . 30680 1 30 . ILE . 30680 1 31 . SER . 30680 1 32 . LYS . 30680 1 33 . ARG . 30680 1 34 . LEU . 30680 1 35 . ALA . 30680 1 36 . VAL . 30680 1 37 . PRO . 30680 1 38 . ARG . 30680 1 39 . SER . 30680 1 40 . SER . 30680 1 41 . VAL . 30680 1 42 . GLN . 30680 1 43 . THR . 30680 1 44 . ILE . 30680 1 45 . VAL . 30680 1 46 . ARG . 30680 1 47 . LYS . 30680 1 48 . TYR . 30680 1 49 . LYS . 30680 1 50 . HIS . 30680 1 51 . HIS . 30680 1 52 . GLY . 30680 1 53 . THR . 30680 1 54 . THR . 30680 1 55 . GLN . 30680 1 56 . HIS . 30680 1 57 . HIS . 30680 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 30680 1 . SER 2 2 30680 1 . MET 3 3 30680 1 . GLY 4 4 30680 1 . LYS 5 5 30680 1 . SER 6 6 30680 1 . LYS 7 7 30680 1 . GLU 8 8 30680 1 . ILE 9 9 30680 1 . SER 10 10 30680 1 . GLN 11 11 30680 1 . ASP 12 12 30680 1 . LEU 13 13 30680 1 . ARG 14 14 30680 1 . LYS 15 15 30680 1 . ARG 16 16 30680 1 . ILE 17 17 30680 1 . VAL 18 18 30680 1 . ASP 19 19 30680 1 . LEU 20 20 30680 1 . TYR 21 21 30680 1 . LYS 22 22 30680 1 . SER 23 23 30680 1 . GLY 24 24 30680 1 . SER 25 25 30680 1 . SER 26 26 30680 1 . LEU 27 27 30680 1 . GLY 28 28 30680 1 . ALA 29 29 30680 1 . ILE 30 30 30680 1 . SER 31 31 30680 1 . LYS 32 32 30680 1 . ARG 33 33 30680 1 . LEU 34 34 30680 1 . ALA 35 35 30680 1 . VAL 36 36 30680 1 . PRO 37 37 30680 1 . ARG 38 38 30680 1 . SER 39 39 30680 1 . SER 40 40 30680 1 . VAL 41 41 30680 1 . GLN 42 42 30680 1 . THR 43 43 30680 1 . ILE 44 44 30680 1 . VAL 45 45 30680 1 . ARG 46 46 30680 1 . LYS 47 47 30680 1 . TYR 48 48 30680 1 . LYS 49 49 30680 1 . HIS 50 50 30680 1 . HIS 51 51 30680 1 . GLY 52 52 30680 1 . THR 53 53 30680 1 . THR 54 54 30680 1 . GLN 55 55 30680 1 . HIS 56 56 30680 1 . HIS 57 57 30680 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 30680 _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 . . . . . . . . . . . GSONMT00045019001 . 30680 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 30680 _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 . . . . . . . . . . 30680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30680 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] pai subdomain mutant, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'pai subdomain mutant' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30680 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 30680 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 25 . mM 30680 1 pH 5 . pH 30680 1 pressure 1 . atm 30680 1 temperature 278 . K 30680 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30680 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 25 . mM 30680 2 pH 5 . pH 30680 2 pressure 1 . atm 30680 2 temperature 308 . K 30680 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30680 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30680 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30680 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30680 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30680 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30680 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30680 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30680 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30680 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30680 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30680 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'AVANCE III' . 700 . . . 30680 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 30680 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 30680 _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 . . . . . . . . . . . . . . . . 30680 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30680 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30680 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 30680 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30680 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30680 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30680 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 30680 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 30680 1 2 '3D CBCA(CO)NH' . . . 30680 1 3 '3D 1H-15N TOCSY' . . . 30680 1 4 '3D 1H-15N NOESY' . . . 30680 1 5 '3D 1H-13C NOESY' . . . 30680 1 6 '2D 1H-15N HSQC' . . . 30680 1 7 '3D CBCA(CO)NH' . . . 30680 1 8 '3D HNCACB' . . . 30680 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 ALA HA H 1 4.249 0.020 . 1 . . . . A 1 ALA HA . 30680 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.330 0.020 . 1 . . . . A 1 ALA HB1 . 30680 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.330 0.020 . 1 . . . . A 1 ALA HB2 . 30680 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.330 0.020 . 1 . . . . A 1 ALA HB3 . 30680 1 5 . 1 . 1 1 1 ALA CB C 13 18.564 0.3 . 1 . . . . A 1 ALA CB . 30680 1 6 . 1 . 1 4 4 GLY H H 1 8.692 0.020 . 1 . . . . A 4 GLY H . 30680 1 7 . 1 . 1 4 4 GLY HA2 H 1 4.031 0.020 . 1 . . . . A 4 GLY HA2 . 30680 1 8 . 1 . 1 4 4 GLY HA3 H 1 4.031 0.020 . 1 . . . . A 4 GLY HA3 . 30680 1 9 . 1 . 1 4 4 GLY N N 15 111.227 0.3 . 1 . . . . A 4 GLY N . 30680 1 10 . 1 . 1 5 5 LYS H H 1 8.758 0.020 . 1 . . . . A 5 LYS H . 30680 1 11 . 1 . 1 5 5 LYS HA H 1 4.335 0.020 . 1 . . . . A 5 LYS HA . 30680 1 12 . 1 . 1 5 5 LYS HB2 H 1 1.820 0.020 . 1 . . . . A 5 LYS HB2 . 30680 1 13 . 1 . 1 5 5 LYS HB3 H 1 1.820 0.020 . 1 . . . . A 5 LYS HB3 . 30680 1 14 . 1 . 1 5 5 LYS HG2 H 1 1.420 0.020 . 1 . . . . A 5 LYS HG2 . 30680 1 15 . 1 . 1 5 5 LYS HG3 H 1 1.420 0.020 . 1 . . . . A 5 LYS HG3 . 30680 1 16 . 1 . 1 5 5 LYS CA C 13 56.113 0.3 . 1 . . . . A 5 LYS CA . 30680 1 17 . 1 . 1 5 5 LYS CB C 13 33.357 0.3 . 1 . . . . A 5 LYS CB . 30680 1 18 . 1 . 1 5 5 LYS N N 15 121.037 0.3 . 1 . . . . A 5 LYS N . 30680 1 19 . 1 . 1 6 6 SER H H 1 8.645 0.020 . 1 . . . . A 6 SER H . 30680 1 20 . 1 . 1 6 6 SER HA H 1 4.372 0.020 . 1 . . . . A 6 SER HA . 30680 1 21 . 1 . 1 6 6 SER HB2 H 1 3.822 0.020 . 1 . . . . A 6 SER HB2 . 30680 1 22 . 1 . 1 6 6 SER HB3 H 1 3.822 0.020 . 1 . . . . A 6 SER HB3 . 30680 1 23 . 1 . 1 6 6 SER CA C 13 58.279 0.3 . 1 . . . . A 6 SER CA . 30680 1 24 . 1 . 1 6 6 SER CB C 13 63.823 0.3 . 1 . . . . A 6 SER CB . 30680 1 25 . 1 . 1 6 6 SER N N 15 118.325 0.3 . 1 . . . . A 6 SER N . 30680 1 26 . 1 . 1 7 7 LYS H H 1 8.609 0.020 . 1 . . . . A 7 LYS H . 30680 1 27 . 1 . 1 7 7 LYS HA H 1 4.345 0.020 . 1 . . . . A 7 LYS HA . 30680 1 28 . 1 . 1 7 7 LYS HB2 H 1 1.791 0.020 . 1 . . . . A 7 LYS HB2 . 30680 1 29 . 1 . 1 7 7 LYS HB3 H 1 1.791 0.020 . 1 . . . . A 7 LYS HB3 . 30680 1 30 . 1 . 1 7 7 LYS HG2 H 1 1.700 0.020 . 1 . . . . A 7 LYS HG2 . 30680 1 31 . 1 . 1 7 7 LYS HG3 H 1 1.700 0.020 . 1 . . . . A 7 LYS HG3 . 30680 1 32 . 1 . 1 7 7 LYS CA C 13 56.594 0.3 . 1 . . . . A 7 LYS CA . 30680 1 33 . 1 . 1 7 7 LYS CB C 13 32.876 0.3 . 1 . . . . A 7 LYS CB . 30680 1 34 . 1 . 1 7 7 LYS CG C 13 28.886 0.3 . 1 . . . . A 7 LYS CG . 30680 1 35 . 1 . 1 7 7 LYS N N 15 124.270 0.3 . 1 . . . . A 7 LYS N . 30680 1 36 . 1 . 1 8 8 GLU H H 1 8.448 0.020 . 1 . . . . A 8 GLU H . 30680 1 37 . 1 . 1 8 8 GLU HA H 1 4.342 0.020 . 1 . . . . A 8 GLU HA . 30680 1 38 . 1 . 1 8 8 GLU HB2 H 1 1.983 0.020 . 1 . . . . A 8 GLU HB2 . 30680 1 39 . 1 . 1 8 8 GLU HB3 H 1 1.983 0.020 . 1 . . . . A 8 GLU HB3 . 30680 1 40 . 1 . 1 8 8 GLU HG2 H 1 2.245 0.020 . 2 . . . . A 8 GLU HG2 . 30680 1 41 . 1 . 1 8 8 GLU HG3 H 1 2.189 0.020 . 2 . . . . A 8 GLU HG3 . 30680 1 42 . 1 . 1 8 8 GLU CA C 13 56.267 0.3 . 1 . . . . A 8 GLU CA . 30680 1 43 . 1 . 1 8 8 GLU CB C 13 30.178 0.3 . 1 . . . . A 8 GLU CB . 30680 1 44 . 1 . 1 8 8 GLU CG C 13 35.811 0.3 . 1 . . . . A 8 GLU CG . 30680 1 45 . 1 . 1 8 8 GLU N N 15 123.213 0.3 . 1 . . . . A 8 GLU N . 30680 1 46 . 1 . 1 9 9 ILE H H 1 8.435 0.020 . 1 . . . . A 9 ILE H . 30680 1 47 . 1 . 1 9 9 ILE HA H 1 4.083 0.020 . 1 . . . . A 9 ILE HA . 30680 1 48 . 1 . 1 9 9 ILE HB H 1 1.912 0.020 . 1 . . . . A 9 ILE HB . 30680 1 49 . 1 . 1 9 9 ILE HG21 H 1 0.889 0.020 . 1 . . . . A 9 ILE HG21 . 30680 1 50 . 1 . 1 9 9 ILE HG22 H 1 0.889 0.020 . 1 . . . . A 9 ILE HG22 . 30680 1 51 . 1 . 1 9 9 ILE HG23 H 1 0.889 0.020 . 1 . . . . A 9 ILE HG23 . 30680 1 52 . 1 . 1 9 9 ILE HD11 H 1 0.814 0.020 . 1 . . . . A 9 ILE HD11 . 30680 1 53 . 1 . 1 9 9 ILE HD12 H 1 0.814 0.020 . 1 . . . . A 9 ILE HD12 . 30680 1 54 . 1 . 1 9 9 ILE HD13 H 1 0.814 0.020 . 1 . . . . A 9 ILE HD13 . 30680 1 55 . 1 . 1 9 9 ILE CG2 C 13 17.424 0.3 . 1 . . . . A 9 ILE CG2 . 30680 1 56 . 1 . 1 9 9 ILE CD1 C 13 12.530 0.3 . 1 . . . . A 9 ILE CD1 . 30680 1 57 . 1 . 1 9 9 ILE N N 15 125.625 0.3 . 1 . . . . A 9 ILE N . 30680 1 58 . 1 . 1 10 10 SER H H 1 8.504 0.020 . 1 . . . . A 10 SER H . 30680 1 59 . 1 . 1 10 10 SER HA H 1 4.428 0.020 . 1 . . . . A 10 SER HA . 30680 1 60 . 1 . 1 10 10 SER HB2 H 1 3.872 0.020 . 1 . . . . A 10 SER HB2 . 30680 1 61 . 1 . 1 10 10 SER HB3 H 1 3.872 0.020 . 1 . . . . A 10 SER HB3 . 30680 1 62 . 1 . 1 10 10 SER CA C 13 57.694 0.3 . 1 . . . . A 10 SER CA . 30680 1 63 . 1 . 1 10 10 SER CB C 13 64.417 0.3 . 1 . . . . A 10 SER CB . 30680 1 64 . 1 . 1 10 10 SER N N 15 124.248 0.3 . 1 . . . . A 10 SER N . 30680 1 65 . 1 . 1 11 11 GLN H H 1 9.095 0.020 . 1 . . . . A 11 GLN H . 30680 1 66 . 1 . 1 11 11 GLN HA H 1 3.964 0.020 . 1 . . . . A 11 GLN HA . 30680 1 67 . 1 . 1 11 11 GLN HB2 H 1 2.089 0.020 . 1 . . . . A 11 GLN HB2 . 30680 1 68 . 1 . 1 11 11 GLN HB3 H 1 2.089 0.020 . 1 . . . . A 11 GLN HB3 . 30680 1 69 . 1 . 1 11 11 GLN HG2 H 1 2.457 0.020 . 2 . . . . A 11 GLN HG2 . 30680 1 70 . 1 . 1 11 11 GLN HG3 H 1 2.439 0.020 . 2 . . . . A 11 GLN HG3 . 30680 1 71 . 1 . 1 11 11 GLN HE21 H 1 7.712 0.020 . 1 . . . . A 11 GLN HE21 . 30680 1 72 . 1 . 1 11 11 GLN HE22 H 1 6.983 0.020 . 1 . . . . A 11 GLN HE22 . 30680 1 73 . 1 . 1 11 11 GLN CA C 13 59.044 0.3 . 1 . . . . A 11 GLN CA . 30680 1 74 . 1 . 1 11 11 GLN CB C 13 28.388 0.3 . 1 . . . . A 11 GLN CB . 30680 1 75 . 1 . 1 11 11 GLN CG C 13 33.469 0.3 . 1 . . . . A 11 GLN CG . 30680 1 76 . 1 . 1 11 11 GLN N N 15 121.388 0.3 . 1 . . . . A 11 GLN N . 30680 1 77 . 1 . 1 11 11 GLN NE2 N 15 113.024 0.3 . 1 . . . . A 11 GLN NE2 . 30680 1 78 . 1 . 1 12 12 ASP H H 1 8.526 0.020 . 1 . . . . A 12 ASP H . 30680 1 79 . 1 . 1 12 12 ASP HA H 1 4.525 0.020 . 1 . . . . A 12 ASP HA . 30680 1 80 . 1 . 1 12 12 ASP HB2 H 1 2.595 0.020 . 2 . . . . A 12 ASP HB2 . 30680 1 81 . 1 . 1 12 12 ASP HB3 H 1 2.555 0.020 . 2 . . . . A 12 ASP HB3 . 30680 1 82 . 1 . 1 12 12 ASP CA C 13 57.092 0.3 . 1 . . . . A 12 ASP CA . 30680 1 83 . 1 . 1 12 12 ASP CB C 13 41.411 0.3 . 1 . . . . A 12 ASP CB . 30680 1 84 . 1 . 1 12 12 ASP N N 15 118.523 0.3 . 1 . . . . A 12 ASP N . 30680 1 85 . 1 . 1 13 13 LEU H H 1 7.756 0.020 . 1 . . . . A 13 LEU H . 30680 1 86 . 1 . 1 13 13 LEU HA H 1 4.077 0.020 . 1 . . . . A 13 LEU HA . 30680 1 87 . 1 . 1 13 13 LEU HB2 H 1 1.696 0.020 . 1 . . . . A 13 LEU HB2 . 30680 1 88 . 1 . 1 13 13 LEU HB3 H 1 1.696 0.020 . 1 . . . . A 13 LEU HB3 . 30680 1 89 . 1 . 1 13 13 LEU HG H 1 1.555 0.020 . 1 . . . . A 13 LEU HG . 30680 1 90 . 1 . 1 13 13 LEU HD11 H 1 0.924 0.020 . 2 . . . . A 13 LEU HD11 . 30680 1 91 . 1 . 1 13 13 LEU HD12 H 1 0.924 0.020 . 2 . . . . A 13 LEU HD12 . 30680 1 92 . 1 . 1 13 13 LEU HD13 H 1 0.924 0.020 . 2 . . . . A 13 LEU HD13 . 30680 1 93 . 1 . 1 13 13 LEU HD21 H 1 0.981 0.020 . 2 . . . . A 13 LEU HD21 . 30680 1 94 . 1 . 1 13 13 LEU HD22 H 1 0.981 0.020 . 2 . . . . A 13 LEU HD22 . 30680 1 95 . 1 . 1 13 13 LEU HD23 H 1 0.981 0.020 . 2 . . . . A 13 LEU HD23 . 30680 1 96 . 1 . 1 13 13 LEU CA C 13 56.967 0.3 . 1 . . . . A 13 LEU CA . 30680 1 97 . 1 . 1 13 13 LEU CB C 13 42.065 0.3 . 1 . . . . A 13 LEU CB . 30680 1 98 . 1 . 1 13 13 LEU CD1 C 13 25.033 0.3 . 1 . . . . A 13 LEU CD1 . 30680 1 99 . 1 . 1 13 13 LEU CD2 C 13 24.180 0.3 . 1 . . . . A 13 LEU CD2 . 30680 1 100 . 1 . 1 13 13 LEU N N 15 122.336 0.3 . 1 . . . . A 13 LEU N . 30680 1 101 . 1 . 1 14 14 ARG H H 1 8.425 0.020 . 1 . . . . A 14 ARG H . 30680 1 102 . 1 . 1 14 14 ARG HA H 1 3.698 0.020 . 1 . . . . A 14 ARG HA . 30680 1 103 . 1 . 1 14 14 ARG HB2 H 1 1.911 0.020 . 1 . . . . A 14 ARG HB2 . 30680 1 104 . 1 . 1 14 14 ARG HB3 H 1 1.911 0.020 . 1 . . . . A 14 ARG HB3 . 30680 1 105 . 1 . 1 14 14 ARG HG2 H 1 1.801 0.020 . 1 . . . . A 14 ARG HG2 . 30680 1 106 . 1 . 1 14 14 ARG HG3 H 1 1.801 0.020 . 1 . . . . A 14 ARG HG3 . 30680 1 107 . 1 . 1 14 14 ARG HD2 H 1 3.119 0.020 . 1 . . . . A 14 ARG HD2 . 30680 1 108 . 1 . 1 14 14 ARG HD3 H 1 3.119 0.020 . 1 . . . . A 14 ARG HD3 . 30680 1 109 . 1 . 1 14 14 ARG CA C 13 60.617 0.3 . 1 . . . . A 14 ARG CA . 30680 1 110 . 1 . 1 14 14 ARG CB C 13 29.902 0.3 . 1 . . . . A 14 ARG CB . 30680 1 111 . 1 . 1 14 14 ARG CD C 13 41.879 0.3 . 1 . . . . A 14 ARG CD . 30680 1 112 . 1 . 1 14 14 ARG N N 15 119.375 0.3 . 1 . . . . A 14 ARG N . 30680 1 113 . 1 . 1 15 15 LYS H H 1 7.762 0.020 . 1 . . . . A 15 LYS H . 30680 1 114 . 1 . 1 15 15 LYS HA H 1 3.929 0.020 . 1 . . . . A 15 LYS HA . 30680 1 115 . 1 . 1 15 15 LYS HB2 H 1 1.824 0.020 . 1 . . . . A 15 LYS HB2 . 30680 1 116 . 1 . 1 15 15 LYS HB3 H 1 1.824 0.020 . 1 . . . . A 15 LYS HB3 . 30680 1 117 . 1 . 1 15 15 LYS HD2 H 1 1.280 0.020 . 1 . . . . A 15 LYS HD2 . 30680 1 118 . 1 . 1 15 15 LYS HD3 H 1 1.280 0.020 . 1 . . . . A 15 LYS HD3 . 30680 1 119 . 1 . 1 15 15 LYS HE2 H 1 3.149 0.020 . 1 . . . . A 15 LYS HE2 . 30680 1 120 . 1 . 1 15 15 LYS HE3 H 1 3.149 0.020 . 1 . . . . A 15 LYS HE3 . 30680 1 121 . 1 . 1 15 15 LYS CA C 13 59.686 0.3 . 1 . . . . A 15 LYS CA . 30680 1 122 . 1 . 1 15 15 LYS CB C 13 31.674 0.3 . 1 . . . . A 15 LYS CB . 30680 1 123 . 1 . 1 15 15 LYS N N 15 117.838 0.3 . 1 . . . . A 15 LYS N . 30680 1 124 . 1 . 1 16 16 ARG H H 1 7.687 0.020 . 1 . . . . A 16 ARG H . 30680 1 125 . 1 . 1 16 16 ARG HA H 1 4.063 0.020 . 1 . . . . A 16 ARG HA . 30680 1 126 . 1 . 1 16 16 ARG HB2 H 1 1.987 0.020 . 1 . . . . A 16 ARG HB2 . 30680 1 127 . 1 . 1 16 16 ARG HB3 H 1 1.987 0.020 . 1 . . . . A 16 ARG HB3 . 30680 1 128 . 1 . 1 16 16 ARG HG2 H 1 1.695 0.020 . 1 . . . . A 16 ARG HG2 . 30680 1 129 . 1 . 1 16 16 ARG HG3 H 1 1.695 0.020 . 1 . . . . A 16 ARG HG3 . 30680 1 130 . 1 . 1 16 16 ARG HD2 H 1 3.165 0.020 . 1 . . . . A 16 ARG HD2 . 30680 1 131 . 1 . 1 16 16 ARG HD3 H 1 3.165 0.020 . 1 . . . . A 16 ARG HD3 . 30680 1 132 . 1 . 1 16 16 ARG CA C 13 59.227 0.3 . 1 . . . . A 16 ARG CA . 30680 1 133 . 1 . 1 16 16 ARG CB C 13 30.820 0.3 . 1 . . . . A 16 ARG CB . 30680 1 134 . 1 . 1 16 16 ARG N N 15 118.550 0.3 . 1 . . . . A 16 ARG N . 30680 1 135 . 1 . 1 17 17 ILE H H 1 8.315 0.020 . 1 . . . . A 17 ILE H . 30680 1 136 . 1 . 1 17 17 ILE HA H 1 3.372 0.020 . 1 . . . . A 17 ILE HA . 30680 1 137 . 1 . 1 17 17 ILE HB H 1 2.015 0.020 . 1 . . . . A 17 ILE HB . 30680 1 138 . 1 . 1 17 17 ILE HG12 H 1 0.878 0.020 . 1 . . . . A 17 ILE HG12 . 30680 1 139 . 1 . 1 17 17 ILE HG21 H 1 0.795 0.020 . 1 . . . . A 17 ILE HG21 . 30680 1 140 . 1 . 1 17 17 ILE HG22 H 1 0.795 0.020 . 1 . . . . A 17 ILE HG22 . 30680 1 141 . 1 . 1 17 17 ILE HG23 H 1 0.795 0.020 . 1 . . . . A 17 ILE HG23 . 30680 1 142 . 1 . 1 17 17 ILE HD11 H 1 0.719 0.020 . 1 . . . . A 17 ILE HD11 . 30680 1 143 . 1 . 1 17 17 ILE HD12 H 1 0.719 0.020 . 1 . . . . A 17 ILE HD12 . 30680 1 144 . 1 . 1 17 17 ILE HD13 H 1 0.719 0.020 . 1 . . . . A 17 ILE HD13 . 30680 1 145 . 1 . 1 17 17 ILE CA C 13 66.086 0.3 . 1 . . . . A 17 ILE CA . 30680 1 146 . 1 . 1 17 17 ILE CB C 13 38.488 0.3 . 1 . . . . A 17 ILE CB . 30680 1 147 . 1 . 1 17 17 ILE CG2 C 13 17.424 0.3 . 1 . . . . A 17 ILE CG2 . 30680 1 148 . 1 . 1 17 17 ILE CD1 C 13 14.832 0.3 . 1 . . . . A 17 ILE CD1 . 30680 1 149 . 1 . 1 17 17 ILE N N 15 119.237 0.3 . 1 . . . . A 17 ILE N . 30680 1 150 . 1 . 1 18 18 VAL H H 1 7.764 0.020 . 1 . . . . A 18 VAL H . 30680 1 151 . 1 . 1 18 18 VAL HA H 1 3.225 0.020 . 1 . . . . A 18 VAL HA . 30680 1 152 . 1 . 1 18 18 VAL HB H 1 1.920 0.020 . 1 . . . . A 18 VAL HB . 30680 1 153 . 1 . 1 18 18 VAL HG11 H 1 0.734 0.020 . 2 . . . . A 18 VAL HG11 . 30680 1 154 . 1 . 1 18 18 VAL HG12 H 1 0.734 0.020 . 2 . . . . A 18 VAL HG12 . 30680 1 155 . 1 . 1 18 18 VAL HG13 H 1 0.734 0.020 . 2 . . . . A 18 VAL HG13 . 30680 1 156 . 1 . 1 18 18 VAL HG21 H 1 0.425 0.020 . 2 . . . . A 18 VAL HG21 . 30680 1 157 . 1 . 1 18 18 VAL HG22 H 1 0.425 0.020 . 2 . . . . A 18 VAL HG22 . 30680 1 158 . 1 . 1 18 18 VAL HG23 H 1 0.425 0.020 . 2 . . . . A 18 VAL HG23 . 30680 1 159 . 1 . 1 18 18 VAL CA C 13 67.051 0.3 . 1 . . . . A 18 VAL CA . 30680 1 160 . 1 . 1 18 18 VAL CB C 13 30.875 0.3 . 1 . . . . A 18 VAL CB . 30680 1 161 . 1 . 1 18 18 VAL CG1 C 13 21.654 0.3 . 1 . . . . A 18 VAL CG1 . 30680 1 162 . 1 . 1 18 18 VAL CG2 C 13 20.898 0.3 . 1 . . . . A 18 VAL CG2 . 30680 1 163 . 1 . 1 18 18 VAL N N 15 119.105 0.3 . 1 . . . . A 18 VAL N . 30680 1 164 . 1 . 1 19 19 ASP H H 1 8.625 0.020 . 1 . . . . A 19 ASP H . 30680 1 165 . 1 . 1 19 19 ASP HA H 1 4.471 0.020 . 1 . . . . A 19 ASP HA . 30680 1 166 . 1 . 1 19 19 ASP HB2 H 1 2.730 0.020 . 2 . . . . A 19 ASP HB2 . 30680 1 167 . 1 . 1 19 19 ASP HB3 H 1 2.550 0.020 . 2 . . . . A 19 ASP HB3 . 30680 1 168 . 1 . 1 19 19 ASP CA C 13 57.127 0.3 . 1 . . . . A 19 ASP CA . 30680 1 169 . 1 . 1 19 19 ASP CB C 13 40.311 0.3 . 1 . . . . A 19 ASP CB . 30680 1 170 . 1 . 1 19 19 ASP N N 15 120.318 0.3 . 1 . . . . A 19 ASP N . 30680 1 171 . 1 . 1 20 20 LEU H H 1 8.158 0.020 . 1 . . . . A 20 LEU H . 30680 1 172 . 1 . 1 20 20 LEU HA H 1 4.135 0.020 . 1 . . . . A 20 LEU HA . 30680 1 173 . 1 . 1 20 20 LEU HB2 H 1 1.957 0.020 . 2 . . . . A 20 LEU HB2 . 30680 1 174 . 1 . 1 20 20 LEU HB3 H 1 1.926 0.020 . 2 . . . . A 20 LEU HB3 . 30680 1 175 . 1 . 1 20 20 LEU HG H 1 1.279 0.020 . 1 . . . . A 20 LEU HG . 30680 1 176 . 1 . 1 20 20 LEU HD11 H 1 0.900 0.020 . 2 . . . . A 20 LEU HD11 . 30680 1 177 . 1 . 1 20 20 LEU HD12 H 1 0.900 0.020 . 2 . . . . A 20 LEU HD12 . 30680 1 178 . 1 . 1 20 20 LEU HD13 H 1 0.900 0.020 . 2 . . . . A 20 LEU HD13 . 30680 1 179 . 1 . 1 20 20 LEU HD21 H 1 0.799 0.020 . 2 . . . . A 20 LEU HD21 . 30680 1 180 . 1 . 1 20 20 LEU HD22 H 1 0.799 0.020 . 2 . . . . A 20 LEU HD22 . 30680 1 181 . 1 . 1 20 20 LEU HD23 H 1 0.799 0.020 . 2 . . . . A 20 LEU HD23 . 30680 1 182 . 1 . 1 20 20 LEU CA C 13 57.477 0.3 . 1 . . . . A 20 LEU CA . 30680 1 183 . 1 . 1 20 20 LEU CB C 13 42.787 0.3 . 1 . . . . A 20 LEU CB . 30680 1 184 . 1 . 1 20 20 LEU CD2 C 13 22.351 0.3 . 1 . . . . A 20 LEU CD2 . 30680 1 185 . 1 . 1 20 20 LEU N N 15 120.485 0.3 . 1 . . . . A 20 LEU N . 30680 1 186 . 1 . 1 21 21 TYR H H 1 8.590 0.020 . 1 . . . . A 21 TYR H . 30680 1 187 . 1 . 1 21 21 TYR HA H 1 4.266 0.020 . 1 . . . . A 21 TYR HA . 30680 1 188 . 1 . 1 21 21 TYR HB2 H 1 3.019 0.020 . 2 . . . . A 21 TYR HB2 . 30680 1 189 . 1 . 1 21 21 TYR HB3 H 1 2.863 0.020 . 2 . . . . A 21 TYR HB3 . 30680 1 190 . 1 . 1 21 21 TYR HD1 H 1 6.891 0.020 . 1 . . . . A 21 TYR HD1 . 30680 1 191 . 1 . 1 21 21 TYR HD2 H 1 6.891 0.020 . 1 . . . . A 21 TYR HD2 . 30680 1 192 . 1 . 1 21 21 TYR HE1 H 1 6.798 0.020 . 1 . . . . A 21 TYR HE1 . 30680 1 193 . 1 . 1 21 21 TYR HE2 H 1 6.798 0.020 . 1 . . . . A 21 TYR HE2 . 30680 1 194 . 1 . 1 21 21 TYR CA C 13 61.185 0.3 . 1 . . . . A 21 TYR CA . 30680 1 195 . 1 . 1 21 21 TYR CB C 13 38.866 0.3 . 1 . . . . A 21 TYR CB . 30680 1 196 . 1 . 1 21 21 TYR N N 15 123.434 0.3 . 1 . . . . A 21 TYR N . 30680 1 197 . 1 . 1 22 22 LYS H H 1 9.116 0.020 . 1 . . . . A 22 LYS H . 30680 1 198 . 1 . 1 22 22 LYS HA H 1 3.768 0.020 . 1 . . . . A 22 LYS HA . 30680 1 199 . 1 . 1 22 22 LYS HB2 H 1 1.929 0.020 . 1 . . . . A 22 LYS HB2 . 30680 1 200 . 1 . 1 22 22 LYS HB3 H 1 1.929 0.020 . 1 . . . . A 22 LYS HB3 . 30680 1 201 . 1 . 1 22 22 LYS HG2 H 1 1.630 0.020 . 1 . . . . A 22 LYS HG2 . 30680 1 202 . 1 . 1 22 22 LYS HG3 H 1 1.630 0.020 . 1 . . . . A 22 LYS HG3 . 30680 1 203 . 1 . 1 22 22 LYS HD2 H 1 1.422 0.020 . 1 . . . . A 22 LYS HD2 . 30680 1 204 . 1 . 1 22 22 LYS HD3 H 1 1.422 0.020 . 1 . . . . A 22 LYS HD3 . 30680 1 205 . 1 . 1 22 22 LYS HE2 H 1 3.155 0.020 . 1 . . . . A 22 LYS HE2 . 30680 1 206 . 1 . 1 22 22 LYS HE3 H 1 3.155 0.020 . 1 . . . . A 22 LYS HE3 . 30680 1 207 . 1 . 1 22 22 LYS CA C 13 59.500 0.3 . 1 . . . . A 22 LYS CA . 30680 1 208 . 1 . 1 22 22 LYS CB C 13 32.475 0.3 . 1 . . . . A 22 LYS CB . 30680 1 209 . 1 . 1 22 22 LYS CG C 13 27.816 0.3 . 1 . . . . A 22 LYS CG . 30680 1 210 . 1 . 1 22 22 LYS CD C 13 28.934 0.3 . 1 . . . . A 22 LYS CD . 30680 1 211 . 1 . 1 22 22 LYS N N 15 121.422 0.3 . 1 . . . . A 22 LYS N . 30680 1 212 . 1 . 1 23 23 SER H H 1 7.544 0.020 . 1 . . . . A 23 SER H . 30680 1 213 . 1 . 1 23 23 SER HA H 1 4.447 0.020 . 1 . . . . A 23 SER HA . 30680 1 214 . 1 . 1 23 23 SER HB2 H 1 4.129 0.020 . 2 . . . . A 23 SER HB2 . 30680 1 215 . 1 . 1 23 23 SER HB3 H 1 3.830 0.020 . 2 . . . . A 23 SER HB3 . 30680 1 216 . 1 . 1 23 23 SER CA C 13 58.468 0.3 . 1 . . . . A 23 SER CA . 30680 1 217 . 1 . 1 23 23 SER CB C 13 64.003 0.3 . 1 . . . . A 23 SER CB . 30680 1 218 . 1 . 1 23 23 SER N N 15 111.469 0.3 . 1 . . . . A 23 SER N . 30680 1 219 . 1 . 1 24 24 GLY H H 1 7.524 0.020 . 1 . . . . A 24 GLY H . 30680 1 220 . 1 . 1 24 24 GLY HA2 H 1 4.332 0.020 . 2 . . . . A 24 GLY HA2 . 30680 1 221 . 1 . 1 24 24 GLY HA3 H 1 3.551 0.020 . 2 . . . . A 24 GLY HA3 . 30680 1 222 . 1 . 1 24 24 GLY CA C 13 45.214 0.3 . 1 . . . . A 24 GLY CA . 30680 1 223 . 1 . 1 24 24 GLY N N 15 108.170 0.3 . 1 . . . . A 24 GLY N . 30680 1 224 . 1 . 1 25 25 SER H H 1 7.830 0.020 . 1 . . . . A 25 SER H . 30680 1 225 . 1 . 1 25 25 SER HA H 1 4.395 0.020 . 1 . . . . A 25 SER HA . 30680 1 226 . 1 . 1 25 25 SER HB2 H 1 3.630 0.020 . 2 . . . . A 25 SER HB2 . 30680 1 227 . 1 . 1 25 25 SER HB3 H 1 3.401 0.020 . 2 . . . . A 25 SER HB3 . 30680 1 228 . 1 . 1 25 25 SER CA C 13 59.515 0.3 . 1 . . . . A 25 SER CA . 30680 1 229 . 1 . 1 25 25 SER CB C 13 64.513 0.3 . 1 . . . . A 25 SER CB . 30680 1 230 . 1 . 1 25 25 SER N N 15 117.882 0.3 . 1 . . . . A 25 SER N . 30680 1 231 . 1 . 1 26 26 SER H H 1 8.699 0.020 . 1 . . . . A 26 SER H . 30680 1 232 . 1 . 1 26 26 SER HA H 1 4.277 0.020 . 1 . . . . A 26 SER HA . 30680 1 233 . 1 . 1 26 26 SER HB2 H 1 4.350 0.020 . 1 . . . . A 26 SER HB2 . 30680 1 234 . 1 . 1 26 26 SER HB3 H 1 4.350 0.020 . 1 . . . . A 26 SER HB3 . 30680 1 235 . 1 . 1 26 26 SER CA C 13 57.471 0.3 . 1 . . . . A 26 SER CA . 30680 1 236 . 1 . 1 26 26 SER CB C 13 63.539 0.3 . 1 . . . . A 26 SER CB . 30680 1 237 . 1 . 1 26 26 SER N N 15 120.586 0.3 . 1 . . . . A 26 SER N . 30680 1 238 . 1 . 1 27 27 LEU H H 1 8.966 0.020 . 1 . . . . A 27 LEU H . 30680 1 239 . 1 . 1 27 27 LEU HA H 1 3.866 0.020 . 1 . . . . A 27 LEU HA . 30680 1 240 . 1 . 1 27 27 LEU HB2 H 1 1.866 0.020 . 2 . . . . A 27 LEU HB2 . 30680 1 241 . 1 . 1 27 27 LEU HB3 H 1 1.276 0.020 . 2 . . . . A 27 LEU HB3 . 30680 1 242 . 1 . 1 27 27 LEU HG H 1 1.485 0.020 . 1 . . . . A 27 LEU HG . 30680 1 243 . 1 . 1 27 27 LEU HD11 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD11 . 30680 1 244 . 1 . 1 27 27 LEU HD12 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD12 . 30680 1 245 . 1 . 1 27 27 LEU HD13 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD13 . 30680 1 246 . 1 . 1 27 27 LEU HD21 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD21 . 30680 1 247 . 1 . 1 27 27 LEU HD22 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD22 . 30680 1 248 . 1 . 1 27 27 LEU HD23 H 1 0.818 0.020 . 1 . . . . A 27 LEU HD23 . 30680 1 249 . 1 . 1 27 27 LEU CA C 13 59.269 0.3 . 1 . . . . A 27 LEU CA . 30680 1 250 . 1 . 1 27 27 LEU CB C 13 41.361 0.3 . 1 . . . . A 27 LEU CB . 30680 1 251 . 1 . 1 27 27 LEU CG C 13 27.006 0.3 . 1 . . . . A 27 LEU CG . 30680 1 252 . 1 . 1 27 27 LEU CD1 C 13 25.724 0.3 . 1 . . . . A 27 LEU CD1 . 30680 1 253 . 1 . 1 27 27 LEU CD2 C 13 24.952 0.3 . 1 . . . . A 27 LEU CD2 . 30680 1 254 . 1 . 1 27 27 LEU N N 15 119.317 0.3 . 1 . . . . A 27 LEU N . 30680 1 255 . 1 . 1 28 28 GLY H H 1 9.127 0.020 . 1 . . . . A 28 GLY H . 30680 1 256 . 1 . 1 28 28 GLY HA2 H 1 4.020 0.020 . 2 . . . . A 28 GLY HA2 . 30680 1 257 . 1 . 1 28 28 GLY HA3 H 1 3.650 0.020 . 2 . . . . A 28 GLY HA3 . 30680 1 258 . 1 . 1 28 28 GLY CA C 13 46.727 0.3 . 1 . . . . A 28 GLY CA . 30680 1 259 . 1 . 1 28 28 GLY N N 15 106.692 0.3 . 1 . . . . A 28 GLY N . 30680 1 260 . 1 . 1 29 29 ALA H H 1 8.039 0.020 . 1 . . . . A 29 ALA H . 30680 1 261 . 1 . 1 29 29 ALA HA H 1 4.138 0.020 . 1 . . . . A 29 ALA HA . 30680 1 262 . 1 . 1 29 29 ALA HB1 H 1 1.515 0.020 . 1 . . . . A 29 ALA HB1 . 30680 1 263 . 1 . 1 29 29 ALA HB2 H 1 1.515 0.020 . 1 . . . . A 29 ALA HB2 . 30680 1 264 . 1 . 1 29 29 ALA HB3 H 1 1.515 0.020 . 1 . . . . A 29 ALA HB3 . 30680 1 265 . 1 . 1 29 29 ALA CA C 13 55.016 0.3 . 1 . . . . A 29 ALA CA . 30680 1 266 . 1 . 1 29 29 ALA CB C 13 18.795 0.3 . 1 . . . . A 29 ALA CB . 30680 1 267 . 1 . 1 29 29 ALA N N 15 126.427 0.3 . 1 . . . . A 29 ALA N . 30680 1 268 . 1 . 1 30 30 ILE H H 1 8.444 0.020 . 1 . . . . A 30 ILE H . 30680 1 269 . 1 . 1 30 30 ILE HA H 1 3.692 0.020 . 1 . . . . A 30 ILE HA . 30680 1 270 . 1 . 1 30 30 ILE HB H 1 1.891 0.020 . 1 . . . . A 30 ILE HB . 30680 1 271 . 1 . 1 30 30 ILE HG21 H 1 0.852 0.020 . 1 . . . . A 30 ILE HG21 . 30680 1 272 . 1 . 1 30 30 ILE HG22 H 1 0.852 0.020 . 1 . . . . A 30 ILE HG22 . 30680 1 273 . 1 . 1 30 30 ILE HG23 H 1 0.852 0.020 . 1 . . . . A 30 ILE HG23 . 30680 1 274 . 1 . 1 30 30 ILE HD11 H 1 0.756 0.020 . 1 . . . . A 30 ILE HD11 . 30680 1 275 . 1 . 1 30 30 ILE HD12 H 1 0.756 0.020 . 1 . . . . A 30 ILE HD12 . 30680 1 276 . 1 . 1 30 30 ILE HD13 H 1 0.756 0.020 . 1 . . . . A 30 ILE HD13 . 30680 1 277 . 1 . 1 30 30 ILE CA C 13 65.880 0.3 . 1 . . . . A 30 ILE CA . 30680 1 278 . 1 . 1 30 30 ILE CB C 13 38.832 0.3 . 1 . . . . A 30 ILE CB . 30680 1 279 . 1 . 1 30 30 ILE CG2 C 13 17.871 0.3 . 1 . . . . A 30 ILE CG2 . 30680 1 280 . 1 . 1 30 30 ILE CD1 C 13 13.262 0.3 . 1 . . . . A 30 ILE CD1 . 30680 1 281 . 1 . 1 30 30 ILE N N 15 120.206 0.3 . 1 . . . . A 30 ILE N . 30680 1 282 . 1 . 1 31 31 SER H H 1 7.947 0.020 . 1 . . . . A 31 SER H . 30680 1 283 . 1 . 1 31 31 SER HA H 1 4.218 0.020 . 1 . . . . A 31 SER HA . 30680 1 284 . 1 . 1 31 31 SER HB2 H 1 4.051 0.020 . 2 . . . . A 31 SER HB2 . 30680 1 285 . 1 . 1 31 31 SER HB3 H 1 3.902 0.020 . 2 . . . . A 31 SER HB3 . 30680 1 286 . 1 . 1 31 31 SER CA C 13 60.617 0.3 . 1 . . . . A 31 SER CA . 30680 1 287 . 1 . 1 31 31 SER CB C 13 64.003 0.3 . 1 . . . . A 31 SER CB . 30680 1 288 . 1 . 1 31 31 SER N N 15 112.454 0.3 . 1 . . . . A 31 SER N . 30680 1 289 . 1 . 1 32 32 LYS H H 1 7.864 0.020 . 1 . . . . A 32 LYS H . 30680 1 290 . 1 . 1 32 32 LYS HA H 1 4.063 0.020 . 1 . . . . A 32 LYS HA . 30680 1 291 . 1 . 1 32 32 LYS HB2 H 1 1.865 0.020 . 1 . . . . A 32 LYS HB2 . 30680 1 292 . 1 . 1 32 32 LYS HB3 H 1 1.865 0.020 . 1 . . . . A 32 LYS HB3 . 30680 1 293 . 1 . 1 32 32 LYS HG2 H 1 1.764 0.020 . 1 . . . . A 32 LYS HG2 . 30680 1 294 . 1 . 1 32 32 LYS HG3 H 1 1.764 0.020 . 1 . . . . A 32 LYS HG3 . 30680 1 295 . 1 . 1 32 32 LYS HD2 H 1 1.655 0.020 . 1 . . . . A 32 LYS HD2 . 30680 1 296 . 1 . 1 32 32 LYS HD3 H 1 1.655 0.020 . 1 . . . . A 32 LYS HD3 . 30680 1 297 . 1 . 1 32 32 LYS HE2 H 1 3.138 0.020 . 1 . . . . A 32 LYS HE2 . 30680 1 298 . 1 . 1 32 32 LYS HE3 H 1 3.138 0.020 . 1 . . . . A 32 LYS HE3 . 30680 1 299 . 1 . 1 32 32 LYS CA C 13 58.768 0.3 . 1 . . . . A 32 LYS CA . 30680 1 300 . 1 . 1 32 32 LYS CB C 13 32.748 0.3 . 1 . . . . A 32 LYS CB . 30680 1 301 . 1 . 1 32 32 LYS N N 15 118.236 0.3 . 1 . . . . A 32 LYS N . 30680 1 302 . 1 . 1 33 33 ARG H H 1 8.257 0.020 . 1 . . . . A 33 ARG H . 30680 1 303 . 1 . 1 33 33 ARG HA H 1 4.050 0.020 . 1 . . . . A 33 ARG HA . 30680 1 304 . 1 . 1 33 33 ARG HB2 H 1 1.782 0.020 . 1 . . . . A 33 ARG HB2 . 30680 1 305 . 1 . 1 33 33 ARG HB3 H 1 1.782 0.020 . 1 . . . . A 33 ARG HB3 . 30680 1 306 . 1 . 1 33 33 ARG HG2 H 1 1.668 0.020 . 1 . . . . A 33 ARG HG2 . 30680 1 307 . 1 . 1 33 33 ARG HG3 H 1 1.668 0.020 . 1 . . . . A 33 ARG HG3 . 30680 1 308 . 1 . 1 33 33 ARG HD2 H 1 3.155 0.020 . 1 . . . . A 33 ARG HD2 . 30680 1 309 . 1 . 1 33 33 ARG HD3 H 1 3.155 0.020 . 1 . . . . A 33 ARG HD3 . 30680 1 310 . 1 . 1 33 33 ARG CA C 13 58.119 0.3 . 1 . . . . A 33 ARG CA . 30680 1 311 . 1 . 1 33 33 ARG CB C 13 31.032 0.3 . 1 . . . . A 33 ARG CB . 30680 1 312 . 1 . 1 33 33 ARG CG C 13 26.943 0.3 . 1 . . . . A 33 ARG CG . 30680 1 313 . 1 . 1 33 33 ARG CD C 13 43.069 0.3 . 1 . . . . A 33 ARG CD . 30680 1 314 . 1 . 1 33 33 ARG N N 15 119.175 0.3 . 1 . . . . A 33 ARG N . 30680 1 315 . 1 . 1 34 34 LEU H H 1 8.080 0.020 . 1 . . . . A 34 LEU H . 30680 1 316 . 1 . 1 34 34 LEU HA H 1 4.355 0.020 . 1 . . . . A 34 LEU HA . 30680 1 317 . 1 . 1 34 34 LEU HB2 H 1 1.559 0.020 . 1 . . . . A 34 LEU HB2 . 30680 1 318 . 1 . 1 34 34 LEU HB3 H 1 1.559 0.020 . 1 . . . . A 34 LEU HB3 . 30680 1 319 . 1 . 1 34 34 LEU HG H 1 1.144 0.020 . 1 . . . . A 34 LEU HG . 30680 1 320 . 1 . 1 34 34 LEU HD11 H 1 0.708 0.020 . 2 . . . . A 34 LEU HD11 . 30680 1 321 . 1 . 1 34 34 LEU HD12 H 1 0.708 0.020 . 2 . . . . A 34 LEU HD12 . 30680 1 322 . 1 . 1 34 34 LEU HD13 H 1 0.708 0.020 . 2 . . . . A 34 LEU HD13 . 30680 1 323 . 1 . 1 34 34 LEU HD21 H 1 0.731 0.020 . 2 . . . . A 34 LEU HD21 . 30680 1 324 . 1 . 1 34 34 LEU HD22 H 1 0.731 0.020 . 2 . . . . A 34 LEU HD22 . 30680 1 325 . 1 . 1 34 34 LEU HD23 H 1 0.731 0.020 . 2 . . . . A 34 LEU HD23 . 30680 1 326 . 1 . 1 34 34 LEU CA C 13 53.790 0.3 . 1 . . . . A 34 LEU CA . 30680 1 327 . 1 . 1 34 34 LEU CB C 13 41.968 0.3 . 1 . . . . A 34 LEU CB . 30680 1 328 . 1 . 1 34 34 LEU CD1 C 13 27.223 0.3 . 1 . . . . A 34 LEU CD1 . 30680 1 329 . 1 . 1 34 34 LEU CD2 C 13 23.093 0.3 . 1 . . . . A 34 LEU CD2 . 30680 1 330 . 1 . 1 34 34 LEU N N 15 113.765 0.3 . 1 . . . . A 34 LEU N . 30680 1 331 . 1 . 1 35 35 ALA H H 1 7.683 0.020 . 1 . . . . A 35 ALA H . 30680 1 332 . 1 . 1 35 35 ALA HA H 1 4.049 0.020 . 1 . . . . A 35 ALA HA . 30680 1 333 . 1 . 1 35 35 ALA HB1 H 1 1.368 0.020 . 1 . . . . A 35 ALA HB1 . 30680 1 334 . 1 . 1 35 35 ALA HB2 H 1 1.368 0.020 . 1 . . . . A 35 ALA HB2 . 30680 1 335 . 1 . 1 35 35 ALA HB3 H 1 1.368 0.020 . 1 . . . . A 35 ALA HB3 . 30680 1 336 . 1 . 1 35 35 ALA CA C 13 52.402 0.3 . 1 . . . . A 35 ALA CA . 30680 1 337 . 1 . 1 35 35 ALA CB C 13 16.631 0.3 . 1 . . . . A 35 ALA CB . 30680 1 338 . 1 . 1 35 35 ALA N N 15 122.186 0.3 . 1 . . . . A 35 ALA N . 30680 1 339 . 1 . 1 36 36 VAL H H 1 7.626 0.020 . 1 . . . . A 36 VAL H . 30680 1 340 . 1 . 1 36 36 VAL HA H 1 4.763 0.020 . 1 . . . . A 36 VAL HA . 30680 1 341 . 1 . 1 36 36 VAL HB H 1 1.696 0.020 . 1 . . . . A 36 VAL HB . 30680 1 342 . 1 . 1 36 36 VAL HG11 H 1 0.932 0.020 . 2 . . . . A 36 VAL HG11 . 30680 1 343 . 1 . 1 36 36 VAL HG12 H 1 0.932 0.020 . 2 . . . . A 36 VAL HG12 . 30680 1 344 . 1 . 1 36 36 VAL HG13 H 1 0.932 0.020 . 2 . . . . A 36 VAL HG13 . 30680 1 345 . 1 . 1 36 36 VAL HG21 H 1 0.785 0.020 . 2 . . . . A 36 VAL HG21 . 30680 1 346 . 1 . 1 36 36 VAL HG22 H 1 0.785 0.020 . 2 . . . . A 36 VAL HG22 . 30680 1 347 . 1 . 1 36 36 VAL HG23 H 1 0.785 0.020 . 2 . . . . A 36 VAL HG23 . 30680 1 348 . 1 . 1 36 36 VAL CA C 13 57.251 0.3 . 1 . . . . A 36 VAL CA . 30680 1 349 . 1 . 1 36 36 VAL CB C 13 35.547 0.3 . 1 . . . . A 36 VAL CB . 30680 1 350 . 1 . 1 36 36 VAL CG1 C 13 21.379 0.3 . 1 . . . . A 36 VAL CG1 . 30680 1 351 . 1 . 1 36 36 VAL CG2 C 13 20.347 0.3 . 1 . . . . A 36 VAL CG2 . 30680 1 352 . 1 . 1 36 36 VAL N N 15 115.146 0.3 . 1 . . . . A 36 VAL N . 30680 1 353 . 1 . 1 37 37 PRO HA H 1 4.363 0.020 . 1 . . . . A 37 PRO HA . 30680 1 354 . 1 . 1 37 37 PRO HB2 H 1 1.997 0.020 . 2 . . . . A 37 PRO HB2 . 30680 1 355 . 1 . 1 37 37 PRO HB3 H 1 1.925 0.020 . 2 . . . . A 37 PRO HB3 . 30680 1 356 . 1 . 1 37 37 PRO HG2 H 1 2.092 0.020 . 2 . . . . A 37 PRO HG2 . 30680 1 357 . 1 . 1 37 37 PRO HG3 H 1 1.982 0.020 . 2 . . . . A 37 PRO HG3 . 30680 1 358 . 1 . 1 37 37 PRO HD2 H 1 3.920 0.020 . 2 . . . . A 37 PRO HD2 . 30680 1 359 . 1 . 1 37 37 PRO HD3 H 1 3.555 0.020 . 2 . . . . A 37 PRO HD3 . 30680 1 360 . 1 . 1 37 37 PRO CB C 13 32.882 0.3 . 1 . . . . A 37 PRO CB . 30680 1 361 . 1 . 1 37 37 PRO CG C 13 27.303 0.3 . 1 . . . . A 37 PRO CG . 30680 1 362 . 1 . 1 37 37 PRO CD C 13 50.997 0.3 . 1 . . . . A 37 PRO CD . 30680 1 363 . 1 . 1 38 38 ARG H H 1 9.276 0.020 . 1 . . . . A 38 ARG H . 30680 1 364 . 1 . 1 38 38 ARG HA H 1 3.767 0.020 . 1 . . . . A 38 ARG HA . 30680 1 365 . 1 . 1 38 38 ARG HB2 H 1 1.861 0.020 . 1 . . . . A 38 ARG HB2 . 30680 1 366 . 1 . 1 38 38 ARG HB3 H 1 1.861 0.020 . 1 . . . . A 38 ARG HB3 . 30680 1 367 . 1 . 1 38 38 ARG HG2 H 1 1.689 0.020 . 1 . . . . A 38 ARG HG2 . 30680 1 368 . 1 . 1 38 38 ARG HG3 H 1 1.689 0.020 . 1 . . . . A 38 ARG HG3 . 30680 1 369 . 1 . 1 38 38 ARG HD2 H 1 3.135 0.020 . 1 . . . . A 38 ARG HD2 . 30680 1 370 . 1 . 1 38 38 ARG HD3 H 1 3.135 0.020 . 1 . . . . A 38 ARG HD3 . 30680 1 371 . 1 . 1 38 38 ARG CA C 13 60.222 0.3 . 1 . . . . A 38 ARG CA . 30680 1 372 . 1 . 1 38 38 ARG CB C 13 30.674 0.3 . 1 . . . . A 38 ARG CB . 30680 1 373 . 1 . 1 38 38 ARG CD C 13 43.119 0.3 . 1 . . . . A 38 ARG CD . 30680 1 374 . 1 . 1 38 38 ARG N N 15 127.430 0.3 . 1 . . . . A 38 ARG N . 30680 1 375 . 1 . 1 39 39 SER H H 1 8.957 0.020 . 1 . . . . A 39 SER H . 30680 1 376 . 1 . 1 39 39 SER HA H 1 4.130 0.020 . 1 . . . . A 39 SER HA . 30680 1 377 . 1 . 1 39 39 SER HB2 H 1 3.890 0.020 . 1 . . . . A 39 SER HB2 . 30680 1 378 . 1 . 1 39 39 SER HB3 H 1 3.890 0.020 . 1 . . . . A 39 SER HB3 . 30680 1 379 . 1 . 1 39 39 SER CA C 13 60.514 0.3 . 1 . . . . A 39 SER CA . 30680 1 380 . 1 . 1 39 39 SER CB C 13 61.986 0.3 . 1 . . . . A 39 SER CB . 30680 1 381 . 1 . 1 39 39 SER N N 15 112.851 0.3 . 1 . . . . A 39 SER N . 30680 1 382 . 1 . 1 40 40 SER H H 1 7.202 0.020 . 1 . . . . A 40 SER H . 30680 1 383 . 1 . 1 40 40 SER HA H 1 4.447 0.020 . 1 . . . . A 40 SER HA . 30680 1 384 . 1 . 1 40 40 SER HB2 H 1 3.979 0.020 . 2 . . . . A 40 SER HB2 . 30680 1 385 . 1 . 1 40 40 SER HB3 H 1 3.834 0.020 . 2 . . . . A 40 SER HB3 . 30680 1 386 . 1 . 1 40 40 SER CA C 13 60.188 0.3 . 1 . . . . A 40 SER CA . 30680 1 387 . 1 . 1 40 40 SER CB C 13 63.745 0.3 . 1 . . . . A 40 SER CB . 30680 1 388 . 1 . 1 40 40 SER N N 15 119.089 0.3 . 1 . . . . A 40 SER N . 30680 1 389 . 1 . 1 41 41 VAL H H 1 7.633 0.020 . 1 . . . . A 41 VAL H . 30680 1 390 . 1 . 1 41 41 VAL HA H 1 3.331 0.020 . 1 . . . . A 41 VAL HA . 30680 1 391 . 1 . 1 41 41 VAL HB H 1 2.265 0.020 . 1 . . . . A 41 VAL HB . 30680 1 392 . 1 . 1 41 41 VAL HG11 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG11 . 30680 1 393 . 1 . 1 41 41 VAL HG12 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG12 . 30680 1 394 . 1 . 1 41 41 VAL HG13 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG13 . 30680 1 395 . 1 . 1 41 41 VAL HG21 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG21 . 30680 1 396 . 1 . 1 41 41 VAL HG22 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG22 . 30680 1 397 . 1 . 1 41 41 VAL HG23 H 1 0.866 0.020 . 1 . . . . A 41 VAL HG23 . 30680 1 398 . 1 . 1 41 41 VAL CA C 13 67.157 0.3 . 1 . . . . A 41 VAL CA . 30680 1 399 . 1 . 1 41 41 VAL CB C 13 34.650 0.3 . 1 . . . . A 41 VAL CB . 30680 1 400 . 1 . 1 41 41 VAL CG1 C 13 20.519 0.3 . 1 . . . . A 41 VAL CG1 . 30680 1 401 . 1 . 1 41 41 VAL CG2 C 13 19.556 0.3 . 1 . . . . A 41 VAL CG2 . 30680 1 402 . 1 . 1 41 41 VAL N N 15 121.914 0.3 . 1 . . . . A 41 VAL N . 30680 1 403 . 1 . 1 42 42 GLN H H 1 8.666 0.020 . 1 . . . . A 42 GLN H . 30680 1 404 . 1 . 1 42 42 GLN HA H 1 3.781 0.020 . 1 . . . . A 42 GLN HA . 30680 1 405 . 1 . 1 42 42 GLN HB2 H 1 2.076 0.020 . 1 . . . . A 42 GLN HB2 . 30680 1 406 . 1 . 1 42 42 GLN HB3 H 1 2.076 0.020 . 1 . . . . A 42 GLN HB3 . 30680 1 407 . 1 . 1 42 42 GLN HG2 H 1 2.274 0.020 . 2 . . . . A 42 GLN HG2 . 30680 1 408 . 1 . 1 42 42 GLN HG3 H 1 2.260 0.020 . 2 . . . . A 42 GLN HG3 . 30680 1 409 . 1 . 1 42 42 GLN HE21 H 1 7.542 0.020 . 1 . . . . A 42 GLN HE21 . 30680 1 410 . 1 . 1 42 42 GLN HE22 H 1 7.019 0.020 . 1 . . . . A 42 GLN HE22 . 30680 1 411 . 1 . 1 42 42 GLN CA C 13 59.362 0.3 . 1 . . . . A 42 GLN CA . 30680 1 412 . 1 . 1 42 42 GLN CB C 13 29.184 0.3 . 1 . . . . A 42 GLN CB . 30680 1 413 . 1 . 1 42 42 GLN CG C 13 33.601 0.3 . 1 . . . . A 42 GLN CG . 30680 1 414 . 1 . 1 42 42 GLN N N 15 117.211 0.3 . 1 . . . . A 42 GLN N . 30680 1 415 . 1 . 1 42 42 GLN NE2 N 15 112.418 0.3 . 1 . . . . A 42 GLN NE2 . 30680 1 416 . 1 . 1 43 43 THR H H 1 7.819 0.020 . 1 . . . . A 43 THR H . 30680 1 417 . 1 . 1 43 43 THR HA H 1 4.049 0.020 . 1 . . . . A 43 THR HA . 30680 1 418 . 1 . 1 43 43 THR HB H 1 3.845 0.020 . 1 . . . . A 43 THR HB . 30680 1 419 . 1 . 1 43 43 THR HG21 H 1 1.233 0.020 . 1 . . . . A 43 THR HG21 . 30680 1 420 . 1 . 1 43 43 THR HG22 H 1 1.233 0.020 . 1 . . . . A 43 THR HG22 . 30680 1 421 . 1 . 1 43 43 THR HG23 H 1 1.233 0.020 . 1 . . . . A 43 THR HG23 . 30680 1 422 . 1 . 1 43 43 THR CA C 13 64.573 0.3 . 1 . . . . A 43 THR CA . 30680 1 423 . 1 . 1 43 43 THR CB C 13 67.116 0.3 . 1 . . . . A 43 THR CB . 30680 1 424 . 1 . 1 43 43 THR CG2 C 13 21.847 0.3 . 1 . . . . A 43 THR CG2 . 30680 1 425 . 1 . 1 43 43 THR N N 15 116.246 0.3 . 1 . . . . A 43 THR N . 30680 1 426 . 1 . 1 44 44 ILE H H 1 7.711 0.020 . 1 . . . . A 44 ILE H . 30680 1 427 . 1 . 1 44 44 ILE HA H 1 3.660 0.020 . 1 . . . . A 44 ILE HA . 30680 1 428 . 1 . 1 44 44 ILE HB H 1 1.840 0.020 . 1 . . . . A 44 ILE HB . 30680 1 429 . 1 . 1 44 44 ILE HG12 H 1 1.683 0.020 . 2 . . . . A 44 ILE HG12 . 30680 1 430 . 1 . 1 44 44 ILE HG13 H 1 1.410 0.020 . 2 . . . . A 44 ILE HG13 . 30680 1 431 . 1 . 1 44 44 ILE HG21 H 1 0.836 0.020 . 1 . . . . A 44 ILE HG21 . 30680 1 432 . 1 . 1 44 44 ILE HG22 H 1 0.836 0.020 . 1 . . . . A 44 ILE HG22 . 30680 1 433 . 1 . 1 44 44 ILE HG23 H 1 0.836 0.020 . 1 . . . . A 44 ILE HG23 . 30680 1 434 . 1 . 1 44 44 ILE HD11 H 1 0.756 0.020 . 1 . . . . A 44 ILE HD11 . 30680 1 435 . 1 . 1 44 44 ILE HD12 H 1 0.756 0.020 . 1 . . . . A 44 ILE HD12 . 30680 1 436 . 1 . 1 44 44 ILE HD13 H 1 0.756 0.020 . 1 . . . . A 44 ILE HD13 . 30680 1 437 . 1 . 1 44 44 ILE CA C 13 64.088 0.3 . 1 . . . . A 44 ILE CA . 30680 1 438 . 1 . 1 44 44 ILE CB C 13 38.144 0.3 . 1 . . . . A 44 ILE CB . 30680 1 439 . 1 . 1 44 44 ILE CG1 C 13 27.686 0.3 . 1 . . . . A 44 ILE CG1 . 30680 1 440 . 1 . 1 44 44 ILE CG2 C 13 17.768 0.3 . 1 . . . . A 44 ILE CG2 . 30680 1 441 . 1 . 1 44 44 ILE CD1 C 13 12.299 0.3 . 1 . . . . A 44 ILE CD1 . 30680 1 442 . 1 . 1 44 44 ILE N N 15 122.280 0.3 . 1 . . . . A 44 ILE N . 30680 1 443 . 1 . 1 45 45 VAL H H 1 8.325 0.020 . 1 . . . . A 45 VAL H . 30680 1 444 . 1 . 1 45 45 VAL HA H 1 3.442 0.020 . 1 . . . . A 45 VAL HA . 30680 1 445 . 1 . 1 45 45 VAL HB H 1 1.783 0.020 . 1 . . . . A 45 VAL HB . 30680 1 446 . 1 . 1 45 45 VAL HG11 H 1 0.457 0.020 . 2 . . . . A 45 VAL HG11 . 30680 1 447 . 1 . 1 45 45 VAL HG12 H 1 0.457 0.020 . 2 . . . . A 45 VAL HG12 . 30680 1 448 . 1 . 1 45 45 VAL HG13 H 1 0.457 0.020 . 2 . . . . A 45 VAL HG13 . 30680 1 449 . 1 . 1 45 45 VAL HG21 H 1 0.237 0.020 . 2 . . . . A 45 VAL HG21 . 30680 1 450 . 1 . 1 45 45 VAL HG22 H 1 0.237 0.020 . 2 . . . . A 45 VAL HG22 . 30680 1 451 . 1 . 1 45 45 VAL HG23 H 1 0.237 0.020 . 2 . . . . A 45 VAL HG23 . 30680 1 452 . 1 . 1 45 45 VAL CA C 13 65.948 0.3 . 1 . . . . A 45 VAL CA . 30680 1 453 . 1 . 1 45 45 VAL CB C 13 30.380 0.3 . 1 . . . . A 45 VAL CB . 30680 1 454 . 1 . 1 45 45 VAL CG1 C 13 21.826 0.3 . 1 . . . . A 45 VAL CG1 . 30680 1 455 . 1 . 1 45 45 VAL CG2 C 13 20.072 0.3 . 1 . . . . A 45 VAL CG2 . 30680 1 456 . 1 . 1 45 45 VAL N N 15 118.962 0.3 . 1 . . . . A 45 VAL N . 30680 1 457 . 1 . 1 46 46 ARG H H 1 8.121 0.020 . 1 . . . . A 46 ARG H . 30680 1 458 . 1 . 1 46 46 ARG HA H 1 3.944 0.020 . 1 . . . . A 46 ARG HA . 30680 1 459 . 1 . 1 46 46 ARG HB2 H 1 1.918 0.020 . 1 . . . . A 46 ARG HB2 . 30680 1 460 . 1 . 1 46 46 ARG HB3 H 1 1.918 0.020 . 1 . . . . A 46 ARG HB3 . 30680 1 461 . 1 . 1 46 46 ARG HG2 H 1 1.692 0.020 . 1 . . . . A 46 ARG HG2 . 30680 1 462 . 1 . 1 46 46 ARG HG3 H 1 1.692 0.020 . 1 . . . . A 46 ARG HG3 . 30680 1 463 . 1 . 1 46 46 ARG HD2 H 1 3.054 0.020 . 1 . . . . A 46 ARG HD2 . 30680 1 464 . 1 . 1 46 46 ARG HD3 H 1 3.054 0.020 . 1 . . . . A 46 ARG HD3 . 30680 1 465 . 1 . 1 46 46 ARG CA C 13 59.243 0.3 . 1 . . . . A 46 ARG CA . 30680 1 466 . 1 . 1 46 46 ARG CB C 13 30.147 0.3 . 1 . . . . A 46 ARG CB . 30680 1 467 . 1 . 1 46 46 ARG CD C 13 43.087 0.3 . 1 . . . . A 46 ARG CD . 30680 1 468 . 1 . 1 46 46 ARG N N 15 119.977 0.3 . 1 . . . . A 46 ARG N . 30680 1 469 . 1 . 1 47 47 LYS H H 1 7.883 0.020 . 1 . . . . A 47 LYS H . 30680 1 470 . 1 . 1 47 47 LYS HA H 1 4.128 0.020 . 1 . . . . A 47 LYS HA . 30680 1 471 . 1 . 1 47 47 LYS HB2 H 1 1.867 0.020 . 1 . . . . A 47 LYS HB2 . 30680 1 472 . 1 . 1 47 47 LYS HB3 H 1 1.867 0.020 . 1 . . . . A 47 LYS HB3 . 30680 1 473 . 1 . 1 47 47 LYS CA C 13 58.598 0.3 . 1 . . . . A 47 LYS CA . 30680 1 474 . 1 . 1 47 47 LYS CB C 13 32.637 0.3 . 1 . . . . A 47 LYS CB . 30680 1 475 . 1 . 1 47 47 LYS N N 15 118.110 0.3 . 1 . . . . A 47 LYS N . 30680 1 476 . 1 . 1 48 48 TYR H H 1 7.838 0.020 . 1 . . . . A 48 TYR H . 30680 1 477 . 1 . 1 48 48 TYR HA H 1 4.299 0.020 . 1 . . . . A 48 TYR HA . 30680 1 478 . 1 . 1 48 48 TYR HB2 H 1 3.143 0.020 . 2 . . . . A 48 TYR HB2 . 30680 1 479 . 1 . 1 48 48 TYR HB3 H 1 3.090 0.020 . 2 . . . . A 48 TYR HB3 . 30680 1 480 . 1 . 1 48 48 TYR HD1 H 1 7.094 0.020 . 1 . . . . A 48 TYR HD1 . 30680 1 481 . 1 . 1 48 48 TYR HD2 H 1 7.094 0.020 . 1 . . . . A 48 TYR HD2 . 30680 1 482 . 1 . 1 48 48 TYR HE1 H 1 6.838 0.020 . 1 . . . . A 48 TYR HE1 . 30680 1 483 . 1 . 1 48 48 TYR HE2 H 1 6.838 0.020 . 1 . . . . A 48 TYR HE2 . 30680 1 484 . 1 . 1 48 48 TYR CA C 13 59.895 0.3 . 1 . . . . A 48 TYR CA . 30680 1 485 . 1 . 1 48 48 TYR CB C 13 38.522 0.3 . 1 . . . . A 48 TYR CB . 30680 1 486 . 1 . 1 48 48 TYR N N 15 120.056 0.3 . 1 . . . . A 48 TYR N . 30680 1 487 . 1 . 1 49 49 LYS H H 1 8.178 0.020 . 1 . . . . A 49 LYS H . 30680 1 488 . 1 . 1 49 49 LYS HA H 1 3.861 0.020 . 1 . . . . A 49 LYS HA . 30680 1 489 . 1 . 1 49 49 LYS HB2 H 1 1.878 0.020 . 1 . . . . A 49 LYS HB2 . 30680 1 490 . 1 . 1 49 49 LYS HB3 H 1 1.878 0.020 . 1 . . . . A 49 LYS HB3 . 30680 1 491 . 1 . 1 49 49 LYS HG2 H 1 1.349 0.020 . 1 . . . . A 49 LYS HG2 . 30680 1 492 . 1 . 1 49 49 LYS HG3 H 1 1.349 0.020 . 1 . . . . A 49 LYS HG3 . 30680 1 493 . 1 . 1 49 49 LYS HD2 H 1 1.660 0.020 . 1 . . . . A 49 LYS HD2 . 30680 1 494 . 1 . 1 49 49 LYS HD3 H 1 1.660 0.020 . 1 . . . . A 49 LYS HD3 . 30680 1 495 . 1 . 1 49 49 LYS CA C 13 58.149 0.3 . 1 . . . . A 49 LYS CA . 30680 1 496 . 1 . 1 49 49 LYS CB C 13 31.949 0.3 . 1 . . . . A 49 LYS CB . 30680 1 497 . 1 . 1 49 49 LYS CG C 13 24.755 0.3 . 1 . . . . A 49 LYS CG . 30680 1 498 . 1 . 1 49 49 LYS CD C 13 29.389 0.3 . 1 . . . . A 49 LYS CD . 30680 1 499 . 1 . 1 49 49 LYS N N 15 119.925 0.3 . 1 . . . . A 49 LYS N . 30680 1 500 . 1 . 1 50 50 HIS H H 1 8.154 0.020 . 1 . . . . A 50 HIS H . 30680 1 501 . 1 . 1 50 50 HIS HA H 1 4.611 0.020 . 1 . . . . A 50 HIS HA . 30680 1 502 . 1 . 1 50 50 HIS HB2 H 1 3.004 0.020 . 1 . . . . A 50 HIS HB2 . 30680 1 503 . 1 . 1 50 50 HIS HB3 H 1 3.004 0.020 . 1 . . . . A 50 HIS HB3 . 30680 1 504 . 1 . 1 50 50 HIS CA C 13 55.415 0.3 . 1 . . . . A 50 HIS CA . 30680 1 505 . 1 . 1 50 50 HIS CB C 13 29.891 0.3 . 1 . . . . A 50 HIS CB . 30680 1 506 . 1 . 1 50 50 HIS N N 15 116.746 0.3 . 1 . . . . A 50 HIS N . 30680 1 507 . 1 . 1 51 51 HIS H H 1 8.572 0.020 . 1 . . . . A 51 HIS H . 30680 1 508 . 1 . 1 51 51 HIS HA H 1 4.662 0.020 . 1 . . . . A 51 HIS HA . 30680 1 509 . 1 . 1 51 51 HIS HB2 H 1 3.252 0.020 . 1 . . . . A 51 HIS HB2 . 30680 1 510 . 1 . 1 51 51 HIS HB3 H 1 3.252 0.020 . 1 . . . . A 51 HIS HB3 . 30680 1 511 . 1 . 1 51 51 HIS CA C 13 55.062 0.3 . 1 . . . . A 51 HIS CA . 30680 1 512 . 1 . 1 51 51 HIS CB C 13 29.719 0.3 . 1 . . . . A 51 HIS CB . 30680 1 513 . 1 . 1 51 51 HIS N N 15 120.551 0.3 . 1 . . . . A 51 HIS N . 30680 1 514 . 1 . 1 52 52 GLY H H 1 8.469 0.020 . 1 . . . . A 52 GLY H . 30680 1 515 . 1 . 1 52 52 GLY HA2 H 1 4.016 0.020 . 1 . . . . A 52 GLY HA2 . 30680 1 516 . 1 . 1 52 52 GLY HA3 H 1 4.016 0.020 . 1 . . . . A 52 GLY HA3 . 30680 1 517 . 1 . 1 52 52 GLY CA C 13 45.352 0.3 . 1 . . . . A 52 GLY CA . 30680 1 518 . 1 . 1 52 52 GLY N N 15 110.066 0.3 . 1 . . . . A 52 GLY N . 30680 1 519 . 1 . 1 53 53 THR H H 1 8.157 0.020 . 1 . . . . A 53 THR H . 30680 1 520 . 1 . 1 53 53 THR HA H 1 4.418 0.020 . 1 . . . . A 53 THR HA . 30680 1 521 . 1 . 1 53 53 THR HB H 1 4.243 0.020 . 1 . . . . A 53 THR HB . 30680 1 522 . 1 . 1 53 53 THR HG21 H 1 1.169 0.020 . 1 . . . . A 53 THR HG21 . 30680 1 523 . 1 . 1 53 53 THR HG22 H 1 1.169 0.020 . 1 . . . . A 53 THR HG22 . 30680 1 524 . 1 . 1 53 53 THR HG23 H 1 1.169 0.020 . 1 . . . . A 53 THR HG23 . 30680 1 525 . 1 . 1 53 53 THR CA C 13 61.431 0.3 . 1 . . . . A 53 THR CA . 30680 1 526 . 1 . 1 53 53 THR CB C 13 70.370 0.3 . 1 . . . . A 53 THR CB . 30680 1 527 . 1 . 1 53 53 THR CG2 C 13 21.253 0.3 . 1 . . . . A 53 THR CG2 . 30680 1 528 . 1 . 1 53 53 THR N N 15 113.554 0.3 . 1 . . . . A 53 THR N . 30680 1 529 . 1 . 1 54 54 THR H H 1 8.306 0.020 . 1 . . . . A 54 THR H . 30680 1 530 . 1 . 1 54 54 THR HA H 1 4.271 0.020 . 1 . . . . A 54 THR HA . 30680 1 531 . 1 . 1 54 54 THR HB H 1 4.137 0.020 . 1 . . . . A 54 THR HB . 30680 1 532 . 1 . 1 54 54 THR HG21 H 1 1.099 0.020 . 1 . . . . A 54 THR HG21 . 30680 1 533 . 1 . 1 54 54 THR HG22 H 1 1.099 0.020 . 1 . . . . A 54 THR HG22 . 30680 1 534 . 1 . 1 54 54 THR HG23 H 1 1.099 0.020 . 1 . . . . A 54 THR HG23 . 30680 1 535 . 1 . 1 54 54 THR CA C 13 61.693 0.3 . 1 . . . . A 54 THR CA . 30680 1 536 . 1 . 1 54 54 THR CB C 13 70.125 0.3 . 1 . . . . A 54 THR CB . 30680 1 537 . 1 . 1 54 54 THR CG2 C 13 21.402 0.3 . 1 . . . . A 54 THR CG2 . 30680 1 538 . 1 . 1 54 54 THR N N 15 116.777 0.3 . 1 . . . . A 54 THR N . 30680 1 539 . 1 . 1 55 55 GLN H H 1 8.452 0.020 . 1 . . . . A 55 GLN H . 30680 1 540 . 1 . 1 55 55 GLN HA H 1 4.218 0.020 . 1 . . . . A 55 GLN HA . 30680 1 541 . 1 . 1 55 55 GLN HB2 H 1 1.864 0.020 . 1 . . . . A 55 GLN HB2 . 30680 1 542 . 1 . 1 55 55 GLN HB3 H 1 1.864 0.020 . 1 . . . . A 55 GLN HB3 . 30680 1 543 . 1 . 1 55 55 GLN HG2 H 1 2.230 0.020 . 1 . . . . A 55 GLN HG2 . 30680 1 544 . 1 . 1 55 55 GLN HG3 H 1 2.230 0.020 . 1 . . . . A 55 GLN HG3 . 30680 1 545 . 1 . 1 55 55 GLN HE21 H 1 7.550 0.020 . 1 . . . . A 55 GLN HE21 . 30680 1 546 . 1 . 1 55 55 GLN HE22 H 1 6.905 0.020 . 1 . . . . A 55 GLN HE22 . 30680 1 547 . 1 . 1 55 55 GLN CA C 13 55.974 0.3 . 1 . . . . A 55 GLN CA . 30680 1 548 . 1 . 1 55 55 GLN CB C 13 29.811 0.3 . 1 . . . . A 55 GLN CB . 30680 1 549 . 1 . 1 55 55 GLN CG C 13 33.371 0.3 . 1 . . . . A 55 GLN CG . 30680 1 550 . 1 . 1 55 55 GLN N N 15 123.060 0.3 . 1 . . . . A 55 GLN N . 30680 1 551 . 1 . 1 55 55 GLN NE2 N 15 113.206 0.3 . 1 . . . . A 55 GLN NE2 . 30680 1 552 . 1 . 1 56 56 HIS H H 1 8.631 0.020 . 1 . . . . A 56 HIS H . 30680 1 553 . 1 . 1 56 56 HIS HA H 1 4.593 0.020 . 1 . . . . A 56 HIS HA . 30680 1 554 . 1 . 1 56 56 HIS HB2 H 1 3.155 0.020 . 1 . . . . A 56 HIS HB2 . 30680 1 555 . 1 . 1 56 56 HIS HB3 H 1 3.155 0.020 . 1 . . . . A 56 HIS HB3 . 30680 1 556 . 1 . 1 56 56 HIS CA C 13 60.206 0.3 . 1 . . . . A 56 HIS CA . 30680 1 557 . 1 . 1 56 56 HIS CB C 13 29.791 0.3 . 1 . . . . A 56 HIS CB . 30680 1 558 . 1 . 1 56 56 HIS N N 15 124.124 0.3 . 1 . . . . A 56 HIS N . 30680 1 stop_ save_