data_25745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25745 _Entry.Title ; Structure of the N-terminal domain of the metalloprotease PrtV from Vibrio cholerae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-07 _Entry.Accession_date 2015-08-07 _Entry.Last_release_date 2015-08-24 _Entry.Original_release_date 2015-08-24 _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_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 Cecilia Persson . . . . 25745 2 M. Mayzel . . . . 25745 3 A. Edwin . . . . 25745 4 S. Wai . N. . . 25745 5 A. Ohman . . . . 25745 6 A. Sauer-eriksson . E. . . 25745 7 G. Karlsson . . . . 25745 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25745 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . PerssonGroup . 25745 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HYDROLASE . 25745 Metalloprotease . 25745 'N-terminal domain' . 25745 NMR . 25745 PrtV . 25745 'Vibrio Cholerae' . 25745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 25745 '15N chemical shifts' 79 25745 '1H chemical shifts' 549 25745 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-20 2015-08-07 update BMRB 'update entry citation' 25745 1 . . 2015-08-24 2015-08-07 original author 'original release' 25745 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5abk 'PDBe entry' 25745 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25745 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26434928 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the N-terminal domain of the metalloprotease PrtV from Vibrio cholerae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2076 _Citation.Page_last 2080 _Citation.Year 2015 _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 A. Edwin . . . . 25745 1 2 M. Mayzel . . . . 25745 1 3 Cecilia Persson . . . . 25745 1 4 S. Wai . N. . . 25745 1 5 A. Ohman . . . . 25745 1 6 G. Karlsson . . . . 25745 1 7 A. Sauer-eriksson . E. . . 25745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25745 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of the metalloprotease PrtV from Vibrio cholerae' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 9348.8769 _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 METALLOPROTEASE 1 $METALLOPROTEASE A . yes native no no . . . 25745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_METALLOPROTEASE _Entity.Sf_category entity _Entity.Sf_framecode METALLOPROTEASE _Entity.Entry_ID 25745 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name METALLOPROTEASE _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 ; GAMAQTPIDLGVVNEDKLIE MLVRTGQIPADASDVDKRIA LERYLEEKIRSGFKGDAQFG KKALEQRAKILKVIDKQKGP HKAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-TERMINAL DOMAIN, UNP RESIDUES 23-103' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9348.8769 _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 . GLY . 25745 1 2 . ALA . 25745 1 3 . MET . 25745 1 4 . ALA . 25745 1 5 . GLN . 25745 1 6 . THR . 25745 1 7 . PRO . 25745 1 8 . ILE . 25745 1 9 . ASP . 25745 1 10 . LEU . 25745 1 11 . GLY . 25745 1 12 . VAL . 25745 1 13 . VAL . 25745 1 14 . ASN . 25745 1 15 . GLU . 25745 1 16 . ASP . 25745 1 17 . LYS . 25745 1 18 . LEU . 25745 1 19 . ILE . 25745 1 20 . GLU . 25745 1 21 . MET . 25745 1 22 . LEU . 25745 1 23 . VAL . 25745 1 24 . ARG . 25745 1 25 . THR . 25745 1 26 . GLY . 25745 1 27 . GLN . 25745 1 28 . ILE . 25745 1 29 . PRO . 25745 1 30 . ALA . 25745 1 31 . ASP . 25745 1 32 . ALA . 25745 1 33 . SER . 25745 1 34 . ASP . 25745 1 35 . VAL . 25745 1 36 . ASP . 25745 1 37 . LYS . 25745 1 38 . ARG . 25745 1 39 . ILE . 25745 1 40 . ALA . 25745 1 41 . LEU . 25745 1 42 . GLU . 25745 1 43 . ARG . 25745 1 44 . TYR . 25745 1 45 . LEU . 25745 1 46 . GLU . 25745 1 47 . GLU . 25745 1 48 . LYS . 25745 1 49 . ILE . 25745 1 50 . ARG . 25745 1 51 . SER . 25745 1 52 . GLY . 25745 1 53 . PHE . 25745 1 54 . LYS . 25745 1 55 . GLY . 25745 1 56 . ASP . 25745 1 57 . ALA . 25745 1 58 . GLN . 25745 1 59 . PHE . 25745 1 60 . GLY . 25745 1 61 . LYS . 25745 1 62 . LYS . 25745 1 63 . ALA . 25745 1 64 . LEU . 25745 1 65 . GLU . 25745 1 66 . GLN . 25745 1 67 . ARG . 25745 1 68 . ALA . 25745 1 69 . LYS . 25745 1 70 . ILE . 25745 1 71 . LEU . 25745 1 72 . LYS . 25745 1 73 . VAL . 25745 1 74 . ILE . 25745 1 75 . ASP . 25745 1 76 . LYS . 25745 1 77 . GLN . 25745 1 78 . LYS . 25745 1 79 . GLY . 25745 1 80 . PRO . 25745 1 81 . HIS . 25745 1 82 . LYS . 25745 1 83 . ALA . 25745 1 84 . ARG . 25745 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 . GLY 1 1 25745 1 . ALA 2 2 25745 1 . MET 3 3 25745 1 . ALA 4 4 25745 1 . GLN 5 5 25745 1 . THR 6 6 25745 1 . PRO 7 7 25745 1 . ILE 8 8 25745 1 . ASP 9 9 25745 1 . LEU 10 10 25745 1 . GLY 11 11 25745 1 . VAL 12 12 25745 1 . VAL 13 13 25745 1 . ASN 14 14 25745 1 . GLU 15 15 25745 1 . ASP 16 16 25745 1 . LYS 17 17 25745 1 . LEU 18 18 25745 1 . ILE 19 19 25745 1 . GLU 20 20 25745 1 . MET 21 21 25745 1 . LEU 22 22 25745 1 . VAL 23 23 25745 1 . ARG 24 24 25745 1 . THR 25 25 25745 1 . GLY 26 26 25745 1 . GLN 27 27 25745 1 . ILE 28 28 25745 1 . PRO 29 29 25745 1 . ALA 30 30 25745 1 . ASP 31 31 25745 1 . ALA 32 32 25745 1 . SER 33 33 25745 1 . ASP 34 34 25745 1 . VAL 35 35 25745 1 . ASP 36 36 25745 1 . LYS 37 37 25745 1 . ARG 38 38 25745 1 . ILE 39 39 25745 1 . ALA 40 40 25745 1 . LEU 41 41 25745 1 . GLU 42 42 25745 1 . ARG 43 43 25745 1 . TYR 44 44 25745 1 . LEU 45 45 25745 1 . GLU 46 46 25745 1 . GLU 47 47 25745 1 . LYS 48 48 25745 1 . ILE 49 49 25745 1 . ARG 50 50 25745 1 . SER 51 51 25745 1 . GLY 52 52 25745 1 . PHE 53 53 25745 1 . LYS 54 54 25745 1 . GLY 55 55 25745 1 . ASP 56 56 25745 1 . ALA 57 57 25745 1 . GLN 58 58 25745 1 . PHE 59 59 25745 1 . GLY 60 60 25745 1 . LYS 61 61 25745 1 . LYS 62 62 25745 1 . ALA 63 63 25745 1 . LEU 64 64 25745 1 . GLU 65 65 25745 1 . GLN 66 66 25745 1 . ARG 67 67 25745 1 . ALA 68 68 25745 1 . LYS 69 69 25745 1 . ILE 70 70 25745 1 . LEU 71 71 25745 1 . LYS 72 72 25745 1 . VAL 73 73 25745 1 . ILE 74 74 25745 1 . ASP 75 75 25745 1 . LYS 76 76 25745 1 . GLN 77 77 25745 1 . LYS 78 78 25745 1 . GLY 79 79 25745 1 . PRO 80 80 25745 1 . HIS 81 81 25745 1 . LYS 82 82 25745 1 . ALA 83 83 25745 1 . ARG 84 84 25745 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 25745 _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 $METALLOPROTEASE . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . . . 25745 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 25745 _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 $METALLOPROTEASE . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pET1a-TrxA . . . 25745 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25745 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM PrtV' _Sample.Aggregate_sample_number . _Sample.Solvent_system '20mM Pi, pH7.0 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 METALLOPROTEASE '[U-13C; U-15N]' . . 1 $METALLOPROTEASE . . 0.7 . . mM . . . . 25745 1 2 Pi 'natural abundance' . . . . . . 20 . . mM . . . . 25745 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 25745 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'pH [7.0], temp [283], pressure [0.0], ionStrength [0.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.000 . pH 25745 1 pressure 1 . atm 25745 1 temperature 283.000 . K 25745 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 25745 _Software.ID 1 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 25745 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25745 1 stop_ save_ save_ccpn _Software.Sf_category software _Software.Sf_framecode ccpn _Software.Entry_ID 25745 _Software.ID 2 _Software.Type . _Software.Name ccpn _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25745 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25745 2 stop_ save_ save_x-plor _Software.Sf_category software _Software.Sf_framecode x-plor _Software.Entry_ID 25745 _Software.ID 3 _Software.Type . _Software.Name x-plor _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 25745 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25745 3 stop_ save_ save_cyana_2.1 _Method.Sf_category method _Method.Sf_framecode cyana_2.1 _Method.Entry_ID 25745 _Method.ID 1 _Method.Name . _Method.Derivation_type . _Method.Details 'cyana 2.1' _Method.Computer_ID . _Method.Computer_label . _Method.Computing_platform_ID . _Method.Computing_platform_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-800 _NMR_spectrometer.Entry_ID 25745 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25745 _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 Bruker_Avance-800 Bruker Avance . 800 . . . 25745 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 25745 _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 'Backbone exps' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 25745 1 2 'NOE exps' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 25745 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25745 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 external indirect 1 . . . . . 25745 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25745 _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 $chemical_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5abk/ebi/prtv.star.csh' _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 'Backbone exps' 1 $sample_1 solution 25745 1 2 'NOE exps' 1 $sample_1 solution 25745 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $x-plor 1 $cyana_2.1 25745 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 2 2 ALA HA H 1 4.119 . . 1 . . 822 . . 2 ALA HA . 25745 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.169 . . 1 . . 821 . . 2 ALA HB1 . 25745 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.169 . . 1 . . 821 . . 2 ALA HB2 . 25745 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.169 . . 1 . . 821 . . 2 ALA HB3 . 25745 1 5 . 1 . 1 2 2 ALA C C 13 175.076 . . 1 . . 287 . . 2 ALA C . 25745 1 6 . 1 . 1 2 2 ALA CA C 13 49.743 . . 1 . . 288 . . 2 ALA CA . 25745 1 7 . 1 . 1 2 2 ALA CB C 13 16.523 . . 1 . . 289 . . 2 ALA CB . 25745 1 8 . 1 . 1 3 3 MET H H 1 8.359 0.001 . 1 . . 83 . . 3 MET H . 25745 1 9 . 1 . 1 3 3 MET HA H 1 4.232 0.004 . 1 . . 825 . . 3 MET HA . 25745 1 10 . 1 . 1 3 3 MET HB2 H 1 1.786 0.009 . 2 . . 826 . . 3 MET HB2 . 25745 1 11 . 1 . 1 3 3 MET HB3 H 1 1.851 0.003 . 2 . . 827 . . 3 MET HB3 . 25745 1 12 . 1 . 1 3 3 MET HG2 H 1 2.352 . . 2 . . 828 . . 3 MET HG2 . 25745 1 13 . 1 . 1 3 3 MET HG3 H 1 2.410 . . 2 . . 829 . . 3 MET HG3 . 25745 1 14 . 1 . 1 3 3 MET C C 13 173.209 . . 1 . . 281 . . 3 MET C . 25745 1 15 . 1 . 1 3 3 MET CA C 13 52.456 0.039 . 1 . . 280 . . 3 MET CA . 25745 1 16 . 1 . 1 3 3 MET CB C 13 29.939 0.001 . 1 . . 290 . . 3 MET CB . 25745 1 17 . 1 . 1 3 3 MET CG C 13 29.037 . . 1 . . 820 . . 3 MET CG . 25745 1 18 . 1 . 1 3 3 MET N N 15 120.053 0.015 . 1 . . 84 . . 3 MET N . 25745 1 19 . 1 . 1 4 4 ALA H H 1 8.251 0.006 . 1 . . 79 . . 4 ALA H . 25745 1 20 . 1 . 1 4 4 ALA HA H 1 4.076 0.002 . 1 . . 823 . . 4 ALA HA . 25745 1 21 . 1 . 1 4 4 ALA HB1 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB1 . 25745 1 22 . 1 . 1 4 4 ALA HB2 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB2 . 25745 1 23 . 1 . 1 4 4 ALA HB3 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB3 . 25745 1 24 . 1 . 1 4 4 ALA C C 13 174.690 . . 1 . . 412 . . 4 ALA C . 25745 1 25 . 1 . 1 4 4 ALA CA C 13 49.616 0.024 . 1 . . 283 . . 4 ALA CA . 25745 1 26 . 1 . 1 4 4 ALA CB C 13 16.389 0.009 . 1 . . 282 . . 4 ALA CB . 25745 1 27 . 1 . 1 4 4 ALA N N 15 125.817 0.013 . 1 . . 80 . . 4 ALA N . 25745 1 28 . 1 . 1 5 5 GLN H H 1 8.274 0.002 . 1 . . 125 . . 5 GLN H . 25745 1 29 . 1 . 1 5 5 GLN HA H 1 4.157 0.004 . 1 . . 817 . . 5 GLN HA . 25745 1 30 . 1 . 1 5 5 GLN HB2 H 1 1.742 0.002 . 2 . . 818 . . 5 GLN HB2 . 25745 1 31 . 1 . 1 5 5 GLN HB3 H 1 1.867 0.006 . 2 . . 819 . . 5 GLN HB3 . 25745 1 32 . 1 . 1 5 5 GLN HG2 H 1 2.140 . . 1 . . 902 . . 5 GLN HG2 . 25745 1 33 . 1 . 1 5 5 GLN C C 13 173.064 . . 1 . . 351 . . 5 GLN C . 25745 1 34 . 1 . 1 5 5 GLN CA C 13 52.647 0.049 . 1 . . 350 . . 5 GLN CA . 25745 1 35 . 1 . 1 5 5 GLN CB C 13 26.852 0.019 . 1 . . 815 . . 5 GLN CB . 25745 1 36 . 1 . 1 5 5 GLN CG C 13 30.964 0.021 . 1 . . 816 . . 5 GLN CG . 25745 1 37 . 1 . 1 5 5 GLN N N 15 119.839 0.019 . 1 . . 126 . . 5 GLN N . 25745 1 38 . 1 . 1 6 6 THR H H 1 8.181 0.005 . 1 . . 59 . . 6 THR H . 25745 1 39 . 1 . 1 6 6 THR HA H 1 4.348 0.001 . 1 . . 831 . . 6 THR HA . 25745 1 40 . 1 . 1 6 6 THR HB H 1 3.931 0.004 . 1 . . 830 . . 6 THR HB . 25745 1 41 . 1 . 1 6 6 THR HG21 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG21 . 25745 1 42 . 1 . 1 6 6 THR HG22 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG22 . 25745 1 43 . 1 . 1 6 6 THR HG23 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG23 . 25745 1 44 . 1 . 1 6 6 THR C C 13 169.911 . . 1 . . 251 . . 6 THR C . 25745 1 45 . 1 . 1 6 6 THR CA C 13 57.258 0.074 . 1 . . 250 . . 6 THR CA . 25745 1 46 . 1 . 1 6 6 THR CB C 13 66.793 0.019 . 1 . . 249 . . 6 THR CB . 25745 1 47 . 1 . 1 6 6 THR CG2 C 13 18.694 0.021 . 1 . . 832 . . 6 THR CG2 . 25745 1 48 . 1 . 1 6 6 THR N N 15 118.689 0.019 . 1 . . 60 . . 6 THR N . 25745 1 49 . 1 . 1 7 7 PRO HA H 1 4.212 0.001 . 1 . . 522 . . 7 PRO HA . 25745 1 50 . 1 . 1 7 7 PRO HB2 H 1 2.080 0.002 . 2 . . 525 . . 7 PRO HB2 . 25745 1 51 . 1 . 1 7 7 PRO HB3 H 1 1.666 0.003 . 2 . . 526 . . 7 PRO HB3 . 25745 1 52 . 1 . 1 7 7 PRO HG2 H 1 1.768 0.002 . 2 . . 527 . . 7 PRO HG2 . 25745 1 53 . 1 . 1 7 7 PRO HG3 H 1 1.830 0.001 . 2 . . 528 . . 7 PRO HG3 . 25745 1 54 . 1 . 1 7 7 PRO HD2 H 1 3.666 0.003 . 2 . . 523 . . 7 PRO HD2 . 25745 1 55 . 1 . 1 7 7 PRO HD3 H 1 3.485 0.002 . 2 . . 524 . . 7 PRO HD3 . 25745 1 56 . 1 . 1 7 7 PRO C C 13 174.097 . . 1 . . 217 . . 7 PRO C . 25745 1 57 . 1 . 1 7 7 PRO CA C 13 60.421 0.018 . 1 . . 216 . . 7 PRO CA . 25745 1 58 . 1 . 1 7 7 PRO CB C 13 29.323 0.013 . 1 . . 215 . . 7 PRO CB . 25745 1 59 . 1 . 1 7 7 PRO CG C 13 24.664 0.019 . 1 . . 414 . . 7 PRO CG . 25745 1 60 . 1 . 1 7 7 PRO CD C 13 48.271 0.022 . 1 . . 413 . . 7 PRO CD . 25745 1 61 . 1 . 1 8 8 ILE H H 1 8.070 0.002 . 1 . . 37 . . 8 ILE H . 25745 1 62 . 1 . 1 8 8 ILE HA H 1 3.851 0.002 . 1 . . 529 . . 8 ILE HA . 25745 1 63 . 1 . 1 8 8 ILE HB H 1 1.584 0.003 . 1 . . 530 . . 8 ILE HB . 25745 1 64 . 1 . 1 8 8 ILE HG12 H 1 0.959 0.003 . 2 . . 532 . . 8 ILE HG12 . 25745 1 65 . 1 . 1 8 8 ILE HG13 H 1 1.267 0.004 . 2 . . 533 . . 8 ILE HG13 . 25745 1 66 . 1 . 1 8 8 ILE HG21 H 1 0.654 . . 1 . . 842 . . 8 ILE HG21 . 25745 1 67 . 1 . 1 8 8 ILE HG22 H 1 0.654 . . 1 . . 842 . . 8 ILE HG22 . 25745 1 68 . 1 . 1 8 8 ILE HG23 H 1 0.654 . . 1 . . 842 . . 8 ILE HG23 . 25745 1 69 . 1 . 1 8 8 ILE HD11 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD11 . 25745 1 70 . 1 . 1 8 8 ILE HD12 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD12 . 25745 1 71 . 1 . 1 8 8 ILE HD13 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD13 . 25745 1 72 . 1 . 1 8 8 ILE C C 13 172.844 . . 1 . . 220 . . 8 ILE C . 25745 1 73 . 1 . 1 8 8 ILE CA C 13 58.473 0.033 . 1 . . 219 . . 8 ILE CA . 25745 1 74 . 1 . 1 8 8 ILE CB C 13 36.029 0.005 . 1 . . 218 . . 8 ILE CB . 25745 1 75 . 1 . 1 8 8 ILE CG1 C 13 24.665 0.015 . 1 . . 415 . . 8 ILE CG1 . 25745 1 76 . 1 . 1 8 8 ILE CG2 C 13 14.671 0.027 . 1 . . 416 . . 8 ILE CG2 . 25745 1 77 . 1 . 1 8 8 ILE CD1 C 13 10.184 0.033 . 1 . . 417 . . 8 ILE CD1 . 25745 1 78 . 1 . 1 8 8 ILE N N 15 121.072 0.006 . 1 . . 38 . . 8 ILE N . 25745 1 79 . 1 . 1 9 9 ASP H H 1 8.188 0.002 . 1 . . 139 . . 9 ASP H . 25745 1 80 . 1 . 1 9 9 ASP HA H 1 4.416 0.001 . 1 . . 534 . . 9 ASP HA . 25745 1 81 . 1 . 1 9 9 ASP HB2 H 1 2.545 0.003 . 2 . . 535 . . 9 ASP HB2 . 25745 1 82 . 1 . 1 9 9 ASP HB3 H 1 2.376 0.005 . 2 . . 536 . . 9 ASP HB3 . 25745 1 83 . 1 . 1 9 9 ASP C C 13 173.471 . . 1 . . 372 . . 9 ASP C . 25745 1 84 . 1 . 1 9 9 ASP CA C 13 50.956 0.034 . 1 . . 371 . . 9 ASP CA . 25745 1 85 . 1 . 1 9 9 ASP CB C 13 38.335 0.025 . 1 . . 370 . . 9 ASP CB . 25745 1 86 . 1 . 1 9 9 ASP N N 15 124.397 0.005 . 1 . . 140 . . 9 ASP N . 25745 1 87 . 1 . 1 10 10 LEU H H 1 8.301 0.002 . 1 . . 11 . . 10 LEU H . 25745 1 88 . 1 . 1 10 10 LEU HA H 1 4.043 0.005 . 1 . . 537 . . 10 LEU HA . 25745 1 89 . 1 . 1 10 10 LEU HB2 H 1 1.461 0.001 . 2 . . 540 . . 10 LEU HB2 . 25745 1 90 . 1 . 1 10 10 LEU HB3 H 1 1.395 0.004 . 2 . . 903 . . 10 LEU HB3 . 25745 1 91 . 1 . 1 10 10 LEU HG H 1 1.451 0.002 . 1 . . 861 . . 10 LEU HG . 25745 1 92 . 1 . 1 10 10 LEU HD11 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD11 . 25745 1 93 . 1 . 1 10 10 LEU HD12 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD12 . 25745 1 94 . 1 . 1 10 10 LEU HD13 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD13 . 25745 1 95 . 1 . 1 10 10 LEU HD21 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD21 . 25745 1 96 . 1 . 1 10 10 LEU HD22 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD22 . 25745 1 97 . 1 . 1 10 10 LEU HD23 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD23 . 25745 1 98 . 1 . 1 10 10 LEU C C 13 175.196 . . 1 . . 181 . . 10 LEU C . 25745 1 99 . 1 . 1 10 10 LEU CA C 13 52.756 0.034 . 1 . . 180 . . 10 LEU CA . 25745 1 100 . 1 . 1 10 10 LEU CB C 13 39.238 0.017 . 1 . . 179 . . 10 LEU CB . 25745 1 101 . 1 . 1 10 10 LEU CG C 13 24.182 0.039 . 1 . . 418 . . 10 LEU CG . 25745 1 102 . 1 . 1 10 10 LEU CD1 C 13 22.316 0.099 . 2 . . 419 . . 10 LEU CD1 . 25745 1 103 . 1 . 1 10 10 LEU CD2 C 13 20.387 0.011 . 2 . . 420 . . 10 LEU CD2 . 25745 1 104 . 1 . 1 10 10 LEU N N 15 123.979 0.011 . 1 . . 12 . . 10 LEU N . 25745 1 105 . 1 . 1 11 11 GLY H H 1 8.320 0.009 . 1 . . 47 . . 11 GLY H . 25745 1 106 . 1 . 1 11 11 GLY HA2 H 1 3.704 . . 1 . . 901 . . 11 GLY HA2 . 25745 1 107 . 1 . 1 11 11 GLY C C 13 171.483 . . 1 . . 233 . . 11 GLY C . 25745 1 108 . 1 . 1 11 11 GLY CA C 13 42.718 0.02 . 1 . . 232 . . 11 GLY CA . 25745 1 109 . 1 . 1 11 11 GLY N N 15 108.391 0.014 . 1 . . 48 . . 11 GLY N . 25745 1 110 . 1 . 1 12 12 VAL H H 1 7.692 0.002 . 1 . . 81 . . 12 VAL H . 25745 1 111 . 1 . 1 12 12 VAL HA H 1 3.889 0.001 . 1 . . 541 . . 12 VAL HA . 25745 1 112 . 1 . 1 12 12 VAL HB H 1 1.873 0.008 . 1 . . 542 . . 12 VAL HB . 25745 1 113 . 1 . 1 12 12 VAL HG11 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG11 . 25745 1 114 . 1 . 1 12 12 VAL HG12 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG12 . 25745 1 115 . 1 . 1 12 12 VAL HG13 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG13 . 25745 1 116 . 1 . 1 12 12 VAL HG21 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG21 . 25745 1 117 . 1 . 1 12 12 VAL HG22 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG22 . 25745 1 118 . 1 . 1 12 12 VAL HG23 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG23 . 25745 1 119 . 1 . 1 12 12 VAL C C 13 173.536 . . 1 . . 286 . . 12 VAL C . 25745 1 120 . 1 . 1 12 12 VAL CA C 13 59.751 0.003 . 1 . . 285 . . 12 VAL CA . 25745 1 121 . 1 . 1 12 12 VAL CB C 13 29.737 0.026 . 1 . . 284 . . 12 VAL CB . 25745 1 122 . 1 . 1 12 12 VAL CG1 C 13 17.915 0.021 . 2 . . 489 . . 12 VAL CG1 . 25745 1 123 . 1 . 1 12 12 VAL CG2 C 13 18.367 0.022 . 2 . . 488 . . 12 VAL CG2 . 25745 1 124 . 1 . 1 12 12 VAL N N 15 119.210 0.023 . 1 . . 82 . . 12 VAL N . 25745 1 125 . 1 . 1 13 13 VAL H H 1 8.022 0.002 . 1 . . 107 . . 13 VAL H . 25745 1 126 . 1 . 1 13 13 VAL HA H 1 3.833 0.006 . 1 . . 551 . . 13 VAL HA . 25745 1 127 . 1 . 1 13 13 VAL HB H 1 1.850 0.003 . 1 . . 843 . . 13 VAL HB . 25745 1 128 . 1 . 1 13 13 VAL HG11 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG11 . 25745 1 129 . 1 . 1 13 13 VAL HG12 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG12 . 25745 1 130 . 1 . 1 13 13 VAL HG13 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG13 . 25745 1 131 . 1 . 1 13 13 VAL HG21 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG21 . 25745 1 132 . 1 . 1 13 13 VAL HG22 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG22 . 25745 1 133 . 1 . 1 13 13 VAL HG23 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG23 . 25745 1 134 . 1 . 1 13 13 VAL C C 13 172.859 . . 1 . . 327 . . 13 VAL C . 25745 1 135 . 1 . 1 13 13 VAL CA C 13 59.908 . . 1 . . 326 . . 13 VAL CA . 25745 1 136 . 1 . 1 13 13 VAL CB C 13 29.793 . . 1 . . 325 . . 13 VAL CB . 25745 1 137 . 1 . 1 13 13 VAL CG1 C 13 18.283 . . 1 . . 549 . . 13 VAL CG1 . 25745 1 138 . 1 . 1 13 13 VAL CG2 C 13 18.283 . . 1 . . 550 . . 13 VAL CG2 . 25745 1 139 . 1 . 1 13 13 VAL N N 15 123.239 0.014 . 1 . . 108 . . 13 VAL N . 25745 1 140 . 1 . 1 14 14 ASN H H 1 8.175 0.004 . 1 . . 517 . . 14 ASN H . 25745 1 141 . 1 . 1 14 14 ASN HA H 1 4.495 0.005 . 1 . . 546 . . 14 ASN HA . 25745 1 142 . 1 . 1 14 14 ASN HB2 H 1 2.695 0.006 . 2 . . 545 . . 14 ASN HB2 . 25745 1 143 . 1 . 1 14 14 ASN HB3 H 1 2.610 0.003 . 2 . . 548 . . 14 ASN HB3 . 25745 1 144 . 1 . 1 14 14 ASN C C 13 172.873 . . 1 . . 317 . . 14 ASN C . 25745 1 145 . 1 . 1 14 14 ASN CA C 13 50.249 . . 1 . . 441 . . 14 ASN CA . 25745 1 146 . 1 . 1 14 14 ASN CB C 13 35.751 0.028 . 1 . . 443 . . 14 ASN CB . 25745 1 147 . 1 . 1 14 14 ASN N N 15 122.101 0.019 . 1 . . 518 . . 14 ASN N . 25745 1 148 . 1 . 1 15 15 GLU H H 1 8.555 0.005 . 1 . . 162 . . 15 GLU H . 25745 1 149 . 1 . 1 15 15 GLU HA H 1 3.595 0.003 . 1 . . 554 . . 15 GLU HA . 25745 1 150 . 1 . 1 15 15 GLU HB2 H 1 1.858 0.002 . 2 . . 557 . . 15 GLU HB2 . 25745 1 151 . 1 . 1 15 15 GLU HB3 H 1 1.768 0.003 . 2 . . 558 . . 15 GLU HB3 . 25745 1 152 . 1 . 1 15 15 GLU HG2 H 1 2.157 0.005 . 2 . . 555 . . 15 GLU HG2 . 25745 1 153 . 1 . 1 15 15 GLU HG3 H 1 1.958 0.002 . 2 . . 556 . . 15 GLU HG3 . 25745 1 154 . 1 . 1 15 15 GLU C C 13 174.460 . . 1 . . 403 . . 15 GLU C . 25745 1 155 . 1 . 1 15 15 GLU CA C 13 57.400 0.055 . 1 . . 401 . . 15 GLU CA . 25745 1 156 . 1 . 1 15 15 GLU CB C 13 26.876 0.036 . 1 . . 402 . . 15 GLU CB . 25745 1 157 . 1 . 1 15 15 GLU CG C 13 34.185 0.024 . 1 . . 421 . . 15 GLU CG . 25745 1 158 . 1 . 1 15 15 GLU N N 15 122.909 0.015 . 1 . . 161 . . 15 GLU N . 25745 1 159 . 1 . 1 16 16 ASP H H 1 8.110 0.002 . 1 . . 164 . . 16 ASP H . 25745 1 160 . 1 . 1 16 16 ASP HA H 1 4.139 0.003 . 1 . . 559 . . 16 ASP HA . 25745 1 161 . 1 . 1 16 16 ASP HB2 H 1 2.473 0.025 . 2 . . 560 . . 16 ASP HB2 . 25745 1 162 . 1 . 1 16 16 ASP HB3 H 1 2.507 . . 2 . . 873 . . 16 ASP HB3 . 25745 1 163 . 1 . 1 16 16 ASP C C 13 176.422 . . 1 . . 405 . . 16 ASP C . 25745 1 164 . 1 . 1 16 16 ASP CA C 13 54.583 0.04 . 1 . . 406 . . 16 ASP CA . 25745 1 165 . 1 . 1 16 16 ASP CB C 13 37.077 . . 1 . . 404 . . 16 ASP CB . 25745 1 166 . 1 . 1 16 16 ASP N N 15 117.900 0.008 . 1 . . 163 . . 16 ASP N . 25745 1 167 . 1 . 1 17 17 LYS H H 1 7.698 0.003 . 1 . . 143 . . 17 LYS H . 25745 1 168 . 1 . 1 17 17 LYS HA H 1 3.884 0.003 . 1 . . 561 . . 17 LYS HA . 25745 1 169 . 1 . 1 17 17 LYS HB2 H 1 1.651 0.007 . 2 . . 885 . . 17 LYS HB2 . 25745 1 170 . 1 . 1 17 17 LYS HB3 H 1 1.628 0.006 . 2 . . 886 . . 17 LYS HB3 . 25745 1 171 . 1 . 1 17 17 LYS HG2 H 1 1.347 0.002 . 2 . . 563 . . 17 LYS HG2 . 25745 1 172 . 1 . 1 17 17 LYS HG3 H 1 1.212 0.002 . 2 . . 564 . . 17 LYS HG3 . 25745 1 173 . 1 . 1 17 17 LYS HD2 H 1 1.464 . . 1 . . 562 . . 17 LYS HD2 . 25745 1 174 . 1 . 1 17 17 LYS C C 13 176.851 . . 1 . . 377 . . 17 LYS C . 25745 1 175 . 1 . 1 17 17 LYS CA C 13 55.484 0.001 . 1 . . 376 . . 17 LYS CA . 25745 1 176 . 1 . 1 17 17 LYS CB C 13 29.430 . . 1 . . 375 . . 17 LYS CB . 25745 1 177 . 1 . 1 17 17 LYS CG C 13 22.257 0.012 . 1 . . 424 . . 17 LYS CG . 25745 1 178 . 1 . 1 17 17 LYS CD C 13 25.873 . . 1 . . 423 . . 17 LYS CD . 25745 1 179 . 1 . 1 17 17 LYS CE C 13 39.274 . . 1 . . 422 . . 17 LYS CE . 25745 1 180 . 1 . 1 17 17 LYS N N 15 120.238 0.01 . 1 . . 144 . . 17 LYS N . 25745 1 181 . 1 . 1 18 18 LEU H H 1 7.805 0.003 . 1 . . 57 . . 18 LEU H . 25745 1 182 . 1 . 1 18 18 LEU HA H 1 3.868 0.005 . 1 . . 565 . . 18 LEU HA . 25745 1 183 . 1 . 1 18 18 LEU HB2 H 1 1.667 0.004 . 2 . . 566 . . 18 LEU HB2 . 25745 1 184 . 1 . 1 18 18 LEU HB3 H 1 1.041 0.005 . 2 . . 862 . . 18 LEU HB3 . 25745 1 185 . 1 . 1 18 18 LEU HG H 1 1.446 0.004 . 1 . . 567 . . 18 LEU HG . 25745 1 186 . 1 . 1 18 18 LEU HD11 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD11 . 25745 1 187 . 1 . 1 18 18 LEU HD12 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD12 . 25745 1 188 . 1 . 1 18 18 LEU HD13 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD13 . 25745 1 189 . 1 . 1 18 18 LEU HD21 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD21 . 25745 1 190 . 1 . 1 18 18 LEU HD22 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD22 . 25745 1 191 . 1 . 1 18 18 LEU HD23 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD23 . 25745 1 192 . 1 . 1 18 18 LEU C C 13 176.037 . . 1 . . 247 . . 18 LEU C . 25745 1 193 . 1 . 1 18 18 LEU CA C 13 55.100 0.039 . 1 . . 248 . . 18 LEU CA . 25745 1 194 . 1 . 1 18 18 LEU CB C 13 39.357 0.026 . 1 . . 246 . . 18 LEU CB . 25745 1 195 . 1 . 1 18 18 LEU CG C 13 24.279 0.037 . 1 . . 426 . . 18 LEU CG . 25745 1 196 . 1 . 1 18 18 LEU CD1 C 13 22.831 . . 2 . . 425 . . 18 LEU CD1 . 25745 1 197 . 1 . 1 18 18 LEU CD2 C 13 20.954 0.03 . 2 . . 427 . . 18 LEU CD2 . 25745 1 198 . 1 . 1 18 18 LEU N N 15 121.912 0.013 . 1 . . 58 . . 18 LEU N . 25745 1 199 . 1 . 1 19 19 ILE H H 1 8.218 0.004 . 1 . . 17 . . 19 ILE H . 25745 1 200 . 1 . 1 19 19 ILE HA H 1 3.269 0.001 . 1 . . 570 . . 19 ILE HA . 25745 1 201 . 1 . 1 19 19 ILE HB H 1 1.763 0.004 . 1 . . 571 . . 19 ILE HB . 25745 1 202 . 1 . 1 19 19 ILE HG12 H 1 1.614 0.001 . 1 . . 572 . . 19 ILE HG12 . 25745 1 203 . 1 . 1 19 19 ILE HG21 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG21 . 25745 1 204 . 1 . 1 19 19 ILE HG22 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG22 . 25745 1 205 . 1 . 1 19 19 ILE HG23 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG23 . 25745 1 206 . 1 . 1 19 19 ILE HD11 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD11 . 25745 1 207 . 1 . 1 19 19 ILE HD12 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD12 . 25745 1 208 . 1 . 1 19 19 ILE HD13 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD13 . 25745 1 209 . 1 . 1 19 19 ILE C C 13 174.456 . . 1 . . 188 . . 19 ILE C . 25745 1 210 . 1 . 1 19 19 ILE CA C 13 62.916 0.002 . 1 . . 187 . . 19 ILE CA . 25745 1 211 . 1 . 1 19 19 ILE CB C 13 34.366 0.051 . 1 . . 252 . . 19 ILE CB . 25745 1 212 . 1 . 1 19 19 ILE CG1 C 13 27.881 0.02 . 1 . . 430 . . 19 ILE CG1 . 25745 1 213 . 1 . 1 19 19 ILE CG2 C 13 15.002 0.029 . 1 . . 428 . . 19 ILE CG2 . 25745 1 214 . 1 . 1 19 19 ILE CD1 C 13 9.869 0.017 . 1 . . 429 . . 19 ILE CD1 . 25745 1 215 . 1 . 1 19 19 ILE N N 15 119.554 0.016 . 1 . . 18 . . 19 ILE N . 25745 1 216 . 1 . 1 20 20 GLU H H 1 7.653 0.003 . 1 . . 63 . . 20 GLU H . 25745 1 217 . 1 . 1 20 20 GLU HA H 1 3.725 0.003 . 1 . . 575 . . 20 GLU HA . 25745 1 218 . 1 . 1 20 20 GLU HB2 H 1 1.997 0.003 . 2 . . 576 . . 20 GLU HB2 . 25745 1 219 . 1 . 1 20 20 GLU HB3 H 1 1.894 0.008 . 2 . . 577 . . 20 GLU HB3 . 25745 1 220 . 1 . 1 20 20 GLU HG2 H 1 2.213 0.009 . 2 . . 876 . . 20 GLU HG2 . 25745 1 221 . 1 . 1 20 20 GLU HG3 H 1 2.000 0.004 . 2 . . 877 . . 20 GLU HG3 . 25745 1 222 . 1 . 1 20 20 GLU C C 13 176.336 . . 1 . . 254 . . 20 GLU C . 25745 1 223 . 1 . 1 20 20 GLU CA C 13 56.936 0.057 . 1 . . 255 . . 20 GLU CA . 25745 1 224 . 1 . 1 20 20 GLU CB C 13 26.392 0.025 . 1 . . 253 . . 20 GLU CB . 25745 1 225 . 1 . 1 20 20 GLU CG C 13 33.451 0.043 . 1 . . 431 . . 20 GLU CG . 25745 1 226 . 1 . 1 20 20 GLU N N 15 117.916 0.012 . 1 . . 64 . . 20 GLU N . 25745 1 227 . 1 . 1 21 21 MET H H 1 7.515 0.002 . 1 . . 145 . . 21 MET H . 25745 1 228 . 1 . 1 21 21 MET HA H 1 3.824 0.006 . 1 . . 578 . . 21 MET HA . 25745 1 229 . 1 . 1 21 21 MET HB2 H 1 1.960 0.003 . 1 . . 579 . . 21 MET HB2 . 25745 1 230 . 1 . 1 21 21 MET HG2 H 1 2.211 0.011 . 2 . . 849 . . 21 MET HG2 . 25745 1 231 . 1 . 1 21 21 MET HG3 H 1 2.534 0.004 . 2 . . 850 . . 21 MET HG3 . 25745 1 232 . 1 . 1 21 21 MET HE1 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE1 . 25745 1 233 . 1 . 1 21 21 MET HE2 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE2 . 25745 1 234 . 1 . 1 21 21 MET HE3 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE3 . 25745 1 235 . 1 . 1 21 21 MET C C 13 176.169 . . 1 . . 380 . . 21 MET C . 25745 1 236 . 1 . 1 21 21 MET CA C 13 56.331 0.017 . 1 . . 379 . . 21 MET CA . 25745 1 237 . 1 . 1 21 21 MET CB C 13 27.355 0.052 . 1 . . 378 . . 21 MET CB . 25745 1 238 . 1 . 1 21 21 MET CG C 13 28.590 0.017 . 1 . . 432 . . 21 MET CG . 25745 1 239 . 1 . 1 21 21 MET CE C 13 13.220 0.009 . 1 . . 847 . . 21 MET CE . 25745 1 240 . 1 . 1 21 21 MET N N 15 120.409 0.013 . 1 . . 146 . . 21 MET N . 25745 1 241 . 1 . 1 22 22 LEU H H 1 8.279 0.004 . 1 . . 15 . . 22 LEU H . 25745 1 242 . 1 . 1 22 22 LEU HA H 1 3.591 0.005 . 1 . . 580 . . 22 LEU HA . 25745 1 243 . 1 . 1 22 22 LEU HB2 H 1 1.821 0.004 . 2 . . 581 . . 22 LEU HB2 . 25745 1 244 . 1 . 1 22 22 LEU HB3 H 1 0.822 0.004 . 2 . . 584 . . 22 LEU HB3 . 25745 1 245 . 1 . 1 22 22 LEU HG H 1 1.410 0.001 . 1 . . 864 . . 22 LEU HG . 25745 1 246 . 1 . 1 22 22 LEU HD11 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD11 . 25745 1 247 . 1 . 1 22 22 LEU HD12 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD12 . 25745 1 248 . 1 . 1 22 22 LEU HD13 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD13 . 25745 1 249 . 1 . 1 22 22 LEU HD21 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD21 . 25745 1 250 . 1 . 1 22 22 LEU HD22 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD22 . 25745 1 251 . 1 . 1 22 22 LEU HD23 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD23 . 25745 1 252 . 1 . 1 22 22 LEU C C 13 176.167 . . 1 . . 295 . . 22 LEU C . 25745 1 253 . 1 . 1 22 22 LEU CA C 13 54.888 0.001 . 1 . . 186 . . 22 LEU CA . 25745 1 254 . 1 . 1 22 22 LEU CB C 13 38.278 0.036 . 1 . . 294 . . 22 LEU CB . 25745 1 255 . 1 . 1 22 22 LEU CG C 13 23.426 0.052 . 1 . . 863 . . 22 LEU CG . 25745 1 256 . 1 . 1 22 22 LEU CD1 C 13 22.442 0.014 . 2 . . 434 . . 22 LEU CD1 . 25745 1 257 . 1 . 1 22 22 LEU CD2 C 13 19.004 0.01 . 2 . . 433 . . 22 LEU CD2 . 25745 1 258 . 1 . 1 22 22 LEU N N 15 123.911 0.018 . 1 . . 16 . . 22 LEU N . 25745 1 259 . 1 . 1 23 23 VAL H H 1 8.234 0.001 . 1 . . 87 . . 23 VAL H . 25745 1 260 . 1 . 1 23 23 VAL HA H 1 4.012 0.003 . 1 . . 585 . . 23 VAL HA . 25745 1 261 . 1 . 1 23 23 VAL HB H 1 1.953 0.004 . 1 . . 588 . . 23 VAL HB . 25745 1 262 . 1 . 1 23 23 VAL HG11 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG11 . 25745 1 263 . 1 . 1 23 23 VAL HG12 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG12 . 25745 1 264 . 1 . 1 23 23 VAL HG13 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG13 . 25745 1 265 . 1 . 1 23 23 VAL HG21 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG21 . 25745 1 266 . 1 . 1 23 23 VAL HG22 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG22 . 25745 1 267 . 1 . 1 23 23 VAL HG23 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG23 . 25745 1 268 . 1 . 1 23 23 VAL C C 13 178.170 . . 1 . . 298 . . 23 VAL C . 25745 1 269 . 1 . 1 23 23 VAL CA C 13 62.358 0.037 . 1 . . 297 . . 23 VAL CA . 25745 1 270 . 1 . 1 23 23 VAL CB C 13 29.218 0.047 . 1 . . 296 . . 23 VAL CB . 25745 1 271 . 1 . 1 23 23 VAL CG1 C 13 19.357 0.018 . 2 . . 435 . . 23 VAL CG1 . 25745 1 272 . 1 . 1 23 23 VAL CG2 C 13 18.453 0.002 . 2 . . 436 . . 23 VAL CG2 . 25745 1 273 . 1 . 1 23 23 VAL N N 15 120.864 0.007 . 1 . . 88 . . 23 VAL N . 25745 1 274 . 1 . 1 24 24 ARG H H 1 8.450 0.002 . 1 . . 27 . . 24 ARG H . 25745 1 275 . 1 . 1 24 24 ARG HA H 1 3.906 0.001 . 1 . . 589 . . 24 ARG HA . 25745 1 276 . 1 . 1 24 24 ARG HB2 H 1 1.815 0.004 . 1 . . 591 . . 24 ARG HB2 . 25745 1 277 . 1 . 1 24 24 ARG HG2 H 1 1.551 0.002 . 2 . . 592 . . 24 ARG HG2 . 25745 1 278 . 1 . 1 24 24 ARG HG3 H 1 1.482 . . 2 . . 593 . . 24 ARG HG3 . 25745 1 279 . 1 . 1 24 24 ARG HD2 H 1 3.031 0.007 . 1 . . 590 . . 24 ARG HD2 . 25745 1 280 . 1 . 1 24 24 ARG C C 13 175.876 . . 1 . . 205 . . 24 ARG C . 25745 1 281 . 1 . 1 24 24 ARG CA C 13 56.841 0.014 . 1 . . 204 . . 24 ARG CA . 25745 1 282 . 1 . 1 24 24 ARG CB C 13 27.359 . . 1 . . 203 . . 24 ARG CB . 25745 1 283 . 1 . 1 24 24 ARG CG C 13 24.683 0.03 . 1 . . 438 . . 24 ARG CG . 25745 1 284 . 1 . 1 24 24 ARG CD C 13 40.482 . . 1 . . 437 . . 24 ARG CD . 25745 1 285 . 1 . 1 24 24 ARG N N 15 122.848 0.014 . 1 . . 28 . . 24 ARG N . 25745 1 286 . 1 . 1 25 25 THR H H 1 7.888 0.002 . 1 . . 5 . . 25 THR H . 25745 1 287 . 1 . 1 25 25 THR HA H 1 4.205 0.001 . 1 . . 594 . . 25 THR HA . 25745 1 288 . 1 . 1 25 25 THR HB H 1 4.399 0.002 . 1 . . 595 . . 25 THR HB . 25745 1 289 . 1 . 1 25 25 THR HG21 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG21 . 25745 1 290 . 1 . 1 25 25 THR HG22 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG22 . 25745 1 291 . 1 . 1 25 25 THR HG23 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG23 . 25745 1 292 . 1 . 1 25 25 THR C C 13 172.886 . . 1 . . 172 . . 25 THR C . 25745 1 293 . 1 . 1 25 25 THR CA C 13 58.953 0.022 . 1 . . 171 . . 25 THR CA . 25745 1 294 . 1 . 1 25 25 THR CB C 13 67.256 0.095 . 1 . . 170 . . 25 THR CB . 25745 1 295 . 1 . 1 25 25 THR CG2 C 13 18.848 0.011 . 1 . . 439 . . 25 THR CG2 . 25745 1 296 . 1 . 1 25 25 THR N N 15 105.314 0.007 . 1 . . 6 . . 25 THR N . 25745 1 297 . 1 . 1 26 26 GLY H H 1 7.607 0.002 . 1 . . 115 . . 26 GLY H . 25745 1 298 . 1 . 1 26 26 GLY HA2 H 1 3.893 0.002 . 2 . . 597 . . 26 GLY HA2 . 25745 1 299 . 1 . 1 26 26 GLY HA3 H 1 3.784 0.003 . 2 . . 598 . . 26 GLY HA3 . 25745 1 300 . 1 . 1 26 26 GLY C C 13 172.151 . . 1 . . 336 . . 26 GLY C . 25745 1 301 . 1 . 1 26 26 GLY CA C 13 43.269 0.016 . 1 . . 337 . . 26 GLY CA . 25745 1 302 . 1 . 1 26 26 GLY N N 15 109.587 0.014 . 1 . . 116 . . 26 GLY N . 25745 1 303 . 1 . 1 27 27 GLN H H 1 8.350 0.001 . 1 . . 93 . . 27 GLN H . 25745 1 304 . 1 . 1 27 27 GLN HA H 1 3.952 0.002 . 1 . . 599 . . 27 GLN HA . 25745 1 305 . 1 . 1 27 27 GLN HB2 H 1 1.662 0.003 . 2 . . 602 . . 27 GLN HB2 . 25745 1 306 . 1 . 1 27 27 GLN HB3 H 1 1.971 0.006 . 2 . . 603 . . 27 GLN HB3 . 25745 1 307 . 1 . 1 27 27 GLN HG2 H 1 2.160 0.003 . 2 . . 600 . . 27 GLN HG2 . 25745 1 308 . 1 . 1 27 27 GLN HG3 H 1 2.026 0.004 . 2 . . 601 . . 27 GLN HG3 . 25745 1 309 . 1 . 1 27 27 GLN C C 13 172.895 . . 1 . . 305 . . 27 GLN C . 25745 1 310 . 1 . 1 27 27 GLN CA C 13 54.531 0.034 . 1 . . 306 . . 27 GLN CA . 25745 1 311 . 1 . 1 27 27 GLN CB C 13 26.821 0.008 . 1 . . 407 . . 27 GLN CB . 25745 1 312 . 1 . 1 27 27 GLN CG C 13 31.657 0.029 . 1 . . 440 . . 27 GLN CG . 25745 1 313 . 1 . 1 27 27 GLN N N 15 118.799 0.009 . 1 . . 94 . . 27 GLN N . 25745 1 314 . 1 . 1 28 28 ILE H H 1 6.963 0.003 . 1 . . 73 . . 28 ILE H . 25745 1 315 . 1 . 1 28 28 ILE HA H 1 4.347 0.004 . 1 . . 835 . . 28 ILE HA . 25745 1 316 . 1 . 1 28 28 ILE HB H 1 1.278 0.003 . 1 . . 834 . . 28 ILE HB . 25745 1 317 . 1 . 1 28 28 ILE HG12 H 1 1.108 0.003 . 2 . . 837 . . 28 ILE HG12 . 25745 1 318 . 1 . 1 28 28 ILE HG13 H 1 0.580 0.001 . 2 . . 904 . . 28 ILE HG13 . 25745 1 319 . 1 . 1 28 28 ILE HG21 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG21 . 25745 1 320 . 1 . 1 28 28 ILE HG22 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG22 . 25745 1 321 . 1 . 1 28 28 ILE HG23 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG23 . 25745 1 322 . 1 . 1 28 28 ILE HD11 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD11 . 25745 1 323 . 1 . 1 28 28 ILE HD12 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD12 . 25745 1 324 . 1 . 1 28 28 ILE HD13 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD13 . 25745 1 325 . 1 . 1 28 28 ILE C C 13 169.935 . . 1 . . 273 . . 28 ILE C . 25745 1 326 . 1 . 1 28 28 ILE CA C 13 54.765 0.023 . 1 . . 408 . . 28 ILE CA . 25745 1 327 . 1 . 1 28 28 ILE CB C 13 38.635 0.038 . 1 . . 272 . . 28 ILE CB . 25745 1 328 . 1 . 1 28 28 ILE CG1 C 13 24.264 0.047 . 1 . . 836 . . 28 ILE CG1 . 25745 1 329 . 1 . 1 28 28 ILE CG2 C 13 15.327 0.035 . 1 . . 838 . . 28 ILE CG2 . 25745 1 330 . 1 . 1 28 28 ILE CD1 C 13 12.318 0.02 . 1 . . 839 . . 28 ILE CD1 . 25745 1 331 . 1 . 1 28 28 ILE N N 15 115.792 0.013 . 1 . . 74 . . 28 ILE N . 25745 1 332 . 1 . 1 29 29 PRO HA H 1 4.223 0.003 . 1 . . 547 . . 29 PRO HA . 25745 1 333 . 1 . 1 29 29 PRO HB2 H 1 2.164 0.001 . 2 . . 857 . . 29 PRO HB2 . 25745 1 334 . 1 . 1 29 29 PRO HB3 H 1 1.763 0.003 . 2 . . 858 . . 29 PRO HB3 . 25745 1 335 . 1 . 1 29 29 PRO HG2 H 1 1.793 0.002 . 2 . . 855 . . 29 PRO HG2 . 25745 1 336 . 1 . 1 29 29 PRO HG3 H 1 1.742 0.002 . 2 . . 856 . . 29 PRO HG3 . 25745 1 337 . 1 . 1 29 29 PRO HD2 H 1 3.571 0.006 . 2 . . 853 . . 29 PRO HD2 . 25745 1 338 . 1 . 1 29 29 PRO HD3 H 1 3.319 0.003 . 2 . . 854 . . 29 PRO HD3 . 25745 1 339 . 1 . 1 29 29 PRO C C 13 174.313 . . 1 . . 445 . . 29 PRO C . 25745 1 340 . 1 . 1 29 29 PRO CA C 13 59.663 0.016 . 1 . . 409 . . 29 PRO CA . 25745 1 341 . 1 . 1 29 29 PRO CB C 13 29.869 0.014 . 1 . . 316 . . 29 PRO CB . 25745 1 342 . 1 . 1 29 29 PRO CG C 13 24.766 0.001 . 1 . . 444 . . 29 PRO CG . 25745 1 343 . 1 . 1 29 29 PRO CD C 13 48.417 0.022 . 1 . . 442 . . 29 PRO CD . 25745 1 344 . 1 . 1 30 30 ALA H H 1 8.556 0.002 . 1 . . 101 . . 30 ALA H . 25745 1 345 . 1 . 1 30 30 ALA HA H 1 3.739 0.002 . 1 . . 604 . . 30 ALA HA . 25745 1 346 . 1 . 1 30 30 ALA HB1 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB1 . 25745 1 347 . 1 . 1 30 30 ALA HB2 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB2 . 25745 1 348 . 1 . 1 30 30 ALA HB3 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB3 . 25745 1 349 . 1 . 1 30 30 ALA C C 13 175.720 . . 1 . . 319 . . 30 ALA C . 25745 1 350 . 1 . 1 30 30 ALA CA C 13 51.761 0.015 . 1 . . 320 . . 30 ALA CA . 25745 1 351 . 1 . 1 30 30 ALA CB C 13 15.521 0.013 . 1 . . 318 . . 30 ALA CB . 25745 1 352 . 1 . 1 30 30 ALA N N 15 122.872 0.021 . 1 . . 102 . . 30 ALA N . 25745 1 353 . 1 . 1 31 31 ASP H H 1 8.020 0.004 . 1 . . 95 . . 31 ASP H . 25745 1 354 . 1 . 1 31 31 ASP HA H 1 4.369 0.002 . 1 . . 608 . . 31 ASP HA . 25745 1 355 . 1 . 1 31 31 ASP HB2 H 1 2.651 0.004 . 2 . . 609 . . 31 ASP HB2 . 25745 1 356 . 1 . 1 31 31 ASP HB3 H 1 2.345 0.002 . 2 . . 610 . . 31 ASP HB3 . 25745 1 357 . 1 . 1 31 31 ASP C C 13 173.074 . . 1 . . 309 . . 31 ASP C . 25745 1 358 . 1 . 1 31 31 ASP CA C 13 49.705 0.017 . 1 . . 308 . . 31 ASP CA . 25745 1 359 . 1 . 1 31 31 ASP CB C 13 36.535 0.024 . 1 . . 307 . . 31 ASP CB . 25745 1 360 . 1 . 1 31 31 ASP N N 15 113.381 0.009 . 1 . . 96 . . 31 ASP N . 25745 1 361 . 1 . 1 32 32 ALA H H 1 7.049 0.002 . 1 . . 85 . . 32 ALA H . 25745 1 362 . 1 . 1 32 32 ALA HA H 1 4.088 0.001 . 1 . . 606 . . 32 ALA HA . 25745 1 363 . 1 . 1 32 32 ALA HB1 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB1 . 25745 1 364 . 1 . 1 32 32 ALA HB2 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB2 . 25745 1 365 . 1 . 1 32 32 ALA HB3 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB3 . 25745 1 366 . 1 . 1 32 32 ALA C C 13 174.605 . . 1 . . 293 . . 32 ALA C . 25745 1 367 . 1 . 1 32 32 ALA CA C 13 49.472 0.01 . 1 . . 292 . . 32 ALA CA . 25745 1 368 . 1 . 1 32 32 ALA CB C 13 17.117 0.011 . 1 . . 291 . . 32 ALA CB . 25745 1 369 . 1 . 1 32 32 ALA N N 15 121.809 0.009 . 1 . . 86 . . 32 ALA N . 25745 1 370 . 1 . 1 33 33 SER H H 1 9.110 0.002 . 1 . . 99 . . 33 SER H . 25745 1 371 . 1 . 1 33 33 SER HA H 1 4.168 0.01 . 1 . . 612 . . 33 SER HA . 25745 1 372 . 1 . 1 33 33 SER HB2 H 1 3.884 0.005 . 2 . . 611 . . 33 SER HB2 . 25745 1 373 . 1 . 1 33 33 SER HB3 H 1 4.142 0.001 . 2 . . 844 . . 33 SER HB3 . 25745 1 374 . 1 . 1 33 33 SER C C 13 171.437 . . 1 . . 315 . . 33 SER C . 25745 1 375 . 1 . 1 33 33 SER CA C 13 54.282 0.052 . 1 . . 314 . . 33 SER CA . 25745 1 376 . 1 . 1 33 33 SER CB C 13 62.080 0.03 . 1 . . 313 . . 33 SER CB . 25745 1 377 . 1 . 1 33 33 SER N N 15 118.137 0.024 . 1 . . 100 . . 33 SER N . 25745 1 378 . 1 . 1 34 34 ASP H H 1 8.790 0.004 . 1 . . 65 . . 34 ASP H . 25745 1 379 . 1 . 1 34 34 ASP HA H 1 4.074 0.003 . 1 . . 613 . . 34 ASP HA . 25745 1 380 . 1 . 1 34 34 ASP HB2 H 1 2.494 0.003 . 2 . . 874 . . 34 ASP HB2 . 25745 1 381 . 1 . 1 34 34 ASP HB3 H 1 2.486 0.008 . 2 . . 875 . . 34 ASP HB3 . 25745 1 382 . 1 . 1 34 34 ASP C C 13 176.305 . . 1 . . 257 . . 34 ASP C . 25745 1 383 . 1 . 1 34 34 ASP CA C 13 55.377 0.047 . 1 . . 256 . . 34 ASP CA . 25745 1 384 . 1 . 1 34 34 ASP CB C 13 36.960 0.005 . 1 . . 268 . . 34 ASP CB . 25745 1 385 . 1 . 1 34 34 ASP N N 15 121.259 0.016 . 1 . . 66 . . 34 ASP N . 25745 1 386 . 1 . 1 35 35 VAL H H 1 7.794 0.002 . 1 . . 71 . . 35 VAL H . 25745 1 387 . 1 . 1 35 35 VAL HA H 1 3.497 0.003 . 1 . . 614 . . 35 VAL HA . 25745 1 388 . 1 . 1 35 35 VAL HB H 1 1.691 0.006 . 1 . . 615 . . 35 VAL HB . 25745 1 389 . 1 . 1 35 35 VAL HG11 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG11 . 25745 1 390 . 1 . 1 35 35 VAL HG12 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG12 . 25745 1 391 . 1 . 1 35 35 VAL HG13 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG13 . 25745 1 392 . 1 . 1 35 35 VAL HG21 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG21 . 25745 1 393 . 1 . 1 35 35 VAL HG22 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG22 . 25745 1 394 . 1 . 1 35 35 VAL HG23 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG23 . 25745 1 395 . 1 . 1 35 35 VAL C C 13 174.814 . . 1 . . 271 . . 35 VAL C . 25745 1 396 . 1 . 1 35 35 VAL CA C 13 63.236 0.024 . 1 . . 270 . . 35 VAL CA . 25745 1 397 . 1 . 1 35 35 VAL CB C 13 29.363 0.034 . 1 . . 269 . . 35 VAL CB . 25745 1 398 . 1 . 1 35 35 VAL CG1 C 13 17.857 0.033 . 2 . . 447 . . 35 VAL CG1 . 25745 1 399 . 1 . 1 35 35 VAL CG2 C 13 19.756 0.013 . 2 . . 446 . . 35 VAL CG2 . 25745 1 400 . 1 . 1 35 35 VAL N N 15 119.462 0.014 . 1 . . 72 . . 35 VAL N . 25745 1 401 . 1 . 1 36 36 ASP H H 1 7.511 0.003 . 1 . . 103 . . 36 ASP H . 25745 1 402 . 1 . 1 36 36 ASP HA H 1 4.279 0.003 . 1 . . 618 . . 36 ASP HA . 25745 1 403 . 1 . 1 36 36 ASP HB2 H 1 2.650 0.004 . 2 . . 619 . . 36 ASP HB2 . 25745 1 404 . 1 . 1 36 36 ASP HB3 H 1 2.315 0.003 . 2 . . 620 . . 36 ASP HB3 . 25745 1 405 . 1 . 1 36 36 ASP C C 13 177.702 . . 1 . . 323 . . 36 ASP C . 25745 1 406 . 1 . 1 36 36 ASP CA C 13 54.554 0.009 . 1 . . 322 . . 36 ASP CA . 25745 1 407 . 1 . 1 36 36 ASP CB C 13 37.044 0.004 . 1 . . 321 . . 36 ASP CB . 25745 1 408 . 1 . 1 36 36 ASP N N 15 121.543 0.013 . 1 . . 104 . . 36 ASP N . 25745 1 409 . 1 . 1 37 37 LYS H H 1 8.542 0.002 . 1 . . 147 . . 37 LYS H . 25745 1 410 . 1 . 1 37 37 LYS HA H 1 3.588 0.002 . 1 . . 621 . . 37 LYS HA . 25745 1 411 . 1 . 1 37 37 LYS HB2 H 1 1.818 0.002 . 1 . . 622 . . 37 LYS HB2 . 25745 1 412 . 1 . 1 37 37 LYS HG2 H 1 0.829 0.003 . 1 . . 623 . . 37 LYS HG2 . 25745 1 413 . 1 . 1 37 37 LYS HD2 H 1 1.522 0.023 . 2 . . 624 . . 37 LYS HD2 . 25745 1 414 . 1 . 1 37 37 LYS HD3 H 1 1.409 0.002 . 2 . . 625 . . 37 LYS HD3 . 25745 1 415 . 1 . 1 37 37 LYS C C 13 174.496 . . 1 . . 382 . . 37 LYS C . 25745 1 416 . 1 . 1 37 37 LYS CA C 13 57.990 0.019 . 1 . . 381 . . 37 LYS CA . 25745 1 417 . 1 . 1 37 37 LYS CB C 13 29.888 . . 1 . . 182 . . 37 LYS CB . 25745 1 418 . 1 . 1 37 37 LYS CG C 13 24.548 . . 1 . . 448 . . 37 LYS CG . 25745 1 419 . 1 . 1 37 37 LYS CD C 13 27.388 . . 1 . . 449 . . 37 LYS CD . 25745 1 420 . 1 . 1 37 37 LYS N N 15 121.843 0.023 . 1 . . 148 . . 37 LYS N . 25745 1 421 . 1 . 1 38 38 ARG H H 1 7.591 0.003 . 1 . . 13 . . 38 ARG H . 25745 1 422 . 1 . 1 38 38 ARG HA H 1 3.760 0.003 . 1 . . 626 . . 38 ARG HA . 25745 1 423 . 1 . 1 38 38 ARG HB2 H 1 1.807 0.007 . 2 . . 629 . . 38 ARG HB2 . 25745 1 424 . 1 . 1 38 38 ARG HB3 H 1 1.755 0.004 . 2 . . 630 . . 38 ARG HB3 . 25745 1 425 . 1 . 1 38 38 ARG HG2 H 1 1.545 . . 2 . . 631 . . 38 ARG HG2 . 25745 1 426 . 1 . 1 38 38 ARG HG3 H 1 1.461 . . 2 . . 632 . . 38 ARG HG3 . 25745 1 427 . 1 . 1 38 38 ARG HD2 H 1 2.946 . . 2 . . 627 . . 38 ARG HD2 . 25745 1 428 . 1 . 1 38 38 ARG HD3 H 1 3.009 . . 2 . . 628 . . 38 ARG HD3 . 25745 1 429 . 1 . 1 38 38 ARG C C 13 176.190 . . 1 . . 185 . . 38 ARG C . 25745 1 430 . 1 . 1 38 38 ARG CA C 13 56.662 . . 1 . . 184 . . 38 ARG CA . 25745 1 431 . 1 . 1 38 38 ARG CB C 13 26.104 . . 1 . . 183 . . 38 ARG CB . 25745 1 432 . 1 . 1 38 38 ARG CG C 13 24.532 . . 1 . . 451 . . 38 ARG CG . 25745 1 433 . 1 . 1 38 38 ARG CD C 13 39.949 0.003 . 1 . . 450 . . 38 ARG CD . 25745 1 434 . 1 . 1 38 38 ARG N N 15 118.495 0.015 . 1 . . 14 . . 38 ARG N . 25745 1 435 . 1 . 1 39 39 ILE H H 1 7.887 0.002 . 1 . . 131 . . 39 ILE H . 25745 1 436 . 1 . 1 39 39 ILE HA H 1 3.560 0.006 . 1 . . 633 . . 39 ILE HA . 25745 1 437 . 1 . 1 39 39 ILE HB H 1 1.645 0.005 . 1 . . 634 . . 39 ILE HB . 25745 1 438 . 1 . 1 39 39 ILE HG12 H 1 1.573 0.003 . 2 . . 637 . . 39 ILE HG12 . 25745 1 439 . 1 . 1 39 39 ILE HG13 H 1 0.918 0.003 . 2 . . 899 . . 39 ILE HG13 . 25745 1 440 . 1 . 1 39 39 ILE HG21 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG21 . 25745 1 441 . 1 . 1 39 39 ILE HG22 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG22 . 25745 1 442 . 1 . 1 39 39 ILE HG23 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG23 . 25745 1 443 . 1 . 1 39 39 ILE HD11 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD11 . 25745 1 444 . 1 . 1 39 39 ILE HD12 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD12 . 25745 1 445 . 1 . 1 39 39 ILE HD13 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD13 . 25745 1 446 . 1 . 1 39 39 ILE C C 13 175.705 . . 1 . . 360 . . 39 ILE C . 25745 1 447 . 1 . 1 39 39 ILE CA C 13 62.211 0.004 . 1 . . 359 . . 39 ILE CA . 25745 1 448 . 1 . 1 39 39 ILE CB C 13 35.593 0.061 . 1 . . 358 . . 39 ILE CB . 25745 1 449 . 1 . 1 39 39 ILE CG1 C 13 26.627 0.011 . 1 . . 453 . . 39 ILE CG1 . 25745 1 450 . 1 . 1 39 39 ILE CG2 C 13 14.052 0.022 . 1 . . 454 . . 39 ILE CG2 . 25745 1 451 . 1 . 1 39 39 ILE CD1 C 13 10.565 0.018 . 1 . . 452 . . 39 ILE CD1 . 25745 1 452 . 1 . 1 39 39 ILE N N 15 120.778 0.017 . 1 . . 132 . . 39 ILE N . 25745 1 453 . 1 . 1 40 40 ALA H H 1 7.688 0.003 . 1 . . 51 . . 40 ALA H . 25745 1 454 . 1 . 1 40 40 ALA HA H 1 3.907 0.003 . 1 . . 639 . . 40 ALA HA . 25745 1 455 . 1 . 1 40 40 ALA HB1 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB1 . 25745 1 456 . 1 . 1 40 40 ALA HB2 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB2 . 25745 1 457 . 1 . 1 40 40 ALA HB3 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB3 . 25745 1 458 . 1 . 1 40 40 ALA C C 13 177.965 . . 1 . . 239 . . 40 ALA C . 25745 1 459 . 1 . 1 40 40 ALA CA C 13 52.100 0.05 . 1 . . 238 . . 40 ALA CA . 25745 1 460 . 1 . 1 40 40 ALA CB C 13 15.688 0.008 . 1 . . 237 . . 40 ALA CB . 25745 1 461 . 1 . 1 40 40 ALA N N 15 121.774 0.01 . 1 . . 52 . . 40 ALA N . 25745 1 462 . 1 . 1 41 41 LEU H H 1 8.202 0.003 . 1 . . 19 . . 41 LEU H . 25745 1 463 . 1 . 1 41 41 LEU HA H 1 3.788 0.008 . 1 . . 640 . . 41 LEU HA . 25745 1 464 . 1 . 1 41 41 LEU HB2 H 1 1.836 0.006 . 2 . . 641 . . 41 LEU HB2 . 25745 1 465 . 1 . 1 41 41 LEU HB3 H 1 1.318 0.003 . 2 . . 865 . . 41 LEU HB3 . 25745 1 466 . 1 . 1 41 41 LEU HG H 1 1.446 0.003 . 1 . . 866 . . 41 LEU HG . 25745 1 467 . 1 . 1 41 41 LEU HD11 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD11 . 25745 1 468 . 1 . 1 41 41 LEU HD12 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD12 . 25745 1 469 . 1 . 1 41 41 LEU HD13 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD13 . 25745 1 470 . 1 . 1 41 41 LEU HD21 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD21 . 25745 1 471 . 1 . 1 41 41 LEU HD22 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD22 . 25745 1 472 . 1 . 1 41 41 LEU HD23 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD23 . 25745 1 473 . 1 . 1 41 41 LEU C C 13 174.973 . . 1 . . 191 . . 41 LEU C . 25745 1 474 . 1 . 1 41 41 LEU CA C 13 55.454 0.028 . 1 . . 190 . . 41 LEU CA . 25745 1 475 . 1 . 1 41 41 LEU CB C 13 38.366 0.024 . 1 . . 189 . . 41 LEU CB . 25745 1 476 . 1 . 1 41 41 LEU CD1 C 13 22.283 0.011 . 1 . . 455 . . 41 LEU CD1 . 25745 1 477 . 1 . 1 41 41 LEU CD2 C 13 22.283 0.011 . 1 . . 456 . . 41 LEU CD2 . 25745 1 478 . 1 . 1 41 41 LEU N N 15 121.144 0.013 . 1 . . 20 . . 41 LEU N . 25745 1 479 . 1 . 1 42 42 GLU H H 1 8.122 0.006 . 1 . . 119 . . 42 GLU H . 25745 1 480 . 1 . 1 42 42 GLU HA H 1 3.731 0.004 . 1 . . 643 . . 42 GLU HA . 25745 1 481 . 1 . 1 42 42 GLU HB2 H 1 1.996 0.002 . 2 . . 646 . . 42 GLU HB2 . 25745 1 482 . 1 . 1 42 42 GLU HB3 H 1 1.900 0.004 . 2 . . 647 . . 42 GLU HB3 . 25745 1 483 . 1 . 1 42 42 GLU HG2 H 1 2.305 0.007 . 2 . . 644 . . 42 GLU HG2 . 25745 1 484 . 1 . 1 42 42 GLU HG3 H 1 2.062 0.03 . 2 . . 645 . . 42 GLU HG3 . 25745 1 485 . 1 . 1 42 42 GLU C C 13 176.729 . . 1 . . 342 . . 42 GLU C . 25745 1 486 . 1 . 1 42 42 GLU CA C 13 57.146 0.048 . 1 . . 341 . . 42 GLU CA . 25745 1 487 . 1 . 1 42 42 GLU CB C 13 26.240 0.029 . 1 . . 226 . . 42 GLU CB . 25745 1 488 . 1 . 1 42 42 GLU CG C 13 33.787 0.104 . 1 . . 457 . . 42 GLU CG . 25745 1 489 . 1 . 1 42 42 GLU N N 15 118.871 0.013 . 1 . . 120 . . 42 GLU N . 25745 1 490 . 1 . 1 43 43 ARG H H 1 7.974 0.003 . 1 . . 43 . . 43 ARG H . 25745 1 491 . 1 . 1 43 43 ARG HA H 1 3.918 0.004 . 1 . . 648 . . 43 ARG HA . 25745 1 492 . 1 . 1 43 43 ARG HB2 H 1 1.762 0.004 . 1 . . 650 . . 43 ARG HB2 . 25745 1 493 . 1 . 1 43 43 ARG HG2 H 1 1.616 0.005 . 2 . . 651 . . 43 ARG HG2 . 25745 1 494 . 1 . 1 43 43 ARG HG3 H 1 1.475 0.001 . 2 . . 652 . . 43 ARG HG3 . 25745 1 495 . 1 . 1 43 43 ARG HD2 H 1 3.004 0.003 . 1 . . 649 . . 43 ARG HD2 . 25745 1 496 . 1 . 1 43 43 ARG C C 13 175.763 . . 1 . . 228 . . 43 ARG C . 25745 1 497 . 1 . 1 43 43 ARG CA C 13 56.414 0.023 . 1 . . 227 . . 43 ARG CA . 25745 1 498 . 1 . 1 43 43 ARG CB C 13 27.276 . . 1 . . 354 . . 43 ARG CB . 25745 1 499 . 1 . 1 43 43 ARG CG C 13 24.402 0.032 . 1 . . 459 . . 43 ARG CG . 25745 1 500 . 1 . 1 43 43 ARG CD C 13 40.636 0.015 . 1 . . 458 . . 43 ARG CD . 25745 1 501 . 1 . 1 43 43 ARG N N 15 118.933 0.019 . 1 . . 44 . . 43 ARG N . 25745 1 502 . 1 . 1 44 44 TYR H H 1 7.977 0.003 . 1 . . 129 . . 44 TYR H . 25745 1 503 . 1 . 1 44 44 TYR HA H 1 4.002 0.006 . 1 . . 653 . . 44 TYR HA . 25745 1 504 . 1 . 1 44 44 TYR HB2 H 1 3.089 0.004 . 2 . . 654 . . 44 TYR HB2 . 25745 1 505 . 1 . 1 44 44 TYR HB3 H 1 2.930 0.003 . 2 . . 655 . . 44 TYR HB3 . 25745 1 506 . 1 . 1 44 44 TYR HD1 H 1 6.826 0.004 . 1 . . 888 . . 44 TYR HD1 . 25745 1 507 . 1 . 1 44 44 TYR HD2 H 1 6.826 0.004 . 1 . . 887 . . 44 TYR HD2 . 25745 1 508 . 1 . 1 44 44 TYR HE1 H 1 6.504 0.002 . 1 . . 890 . . 44 TYR HE1 . 25745 1 509 . 1 . 1 44 44 TYR HE2 H 1 6.504 0.002 . 1 . . 889 . . 44 TYR HE2 . 25745 1 510 . 1 . 1 44 44 TYR C C 13 175.013 . . 1 . . 357 . . 44 TYR C . 25745 1 511 . 1 . 1 44 44 TYR CA C 13 58.515 0.027 . 1 . . 356 . . 44 TYR CA . 25745 1 512 . 1 . 1 44 44 TYR CB C 13 35.510 0.025 . 1 . . 355 . . 44 TYR CB . 25745 1 513 . 1 . 1 44 44 TYR N N 15 121.528 0.012 . 1 . . 130 . . 44 TYR N . 25745 1 514 . 1 . 1 45 45 LEU H H 1 8.438 0.003 . 1 . . 45 . . 45 LEU H . 25745 1 515 . 1 . 1 45 45 LEU HA H 1 3.614 0.003 . 1 . . 656 . . 45 LEU HA . 25745 1 516 . 1 . 1 45 45 LEU HB2 H 1 1.753 0.003 . 2 . . 867 . . 45 LEU HB2 . 25745 1 517 . 1 . 1 45 45 LEU HB3 H 1 1.232 0.006 . 2 . . 868 . . 45 LEU HB3 . 25745 1 518 . 1 . 1 45 45 LEU HG H 1 1.830 0.003 . 1 . . 870 . . 45 LEU HG . 25745 1 519 . 1 . 1 45 45 LEU HD11 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD11 . 25745 1 520 . 1 . 1 45 45 LEU HD12 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD12 . 25745 1 521 . 1 . 1 45 45 LEU HD13 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD13 . 25745 1 522 . 1 . 1 45 45 LEU HD21 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD21 . 25745 1 523 . 1 . 1 45 45 LEU HD22 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD22 . 25745 1 524 . 1 . 1 45 45 LEU HD23 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD23 . 25745 1 525 . 1 . 1 45 45 LEU C C 13 176.484 . . 1 . . 230 . . 45 LEU C . 25745 1 526 . 1 . 1 45 45 LEU CA C 13 54.742 0.015 . 1 . . 231 . . 45 LEU CA . 25745 1 527 . 1 . 1 45 45 LEU CB C 13 38.650 0.023 . 1 . . 229 . . 45 LEU CB . 25745 1 528 . 1 . 1 45 45 LEU CG C 13 24.076 . . 1 . . 869 . . 45 LEU CG . 25745 1 529 . 1 . 1 45 45 LEU CD1 C 13 23.178 0.002 . 2 . . 460 . . 45 LEU CD1 . 25745 1 530 . 1 . 1 45 45 LEU CD2 C 13 19.637 0.035 . 2 . . 461 . . 45 LEU CD2 . 25745 1 531 . 1 . 1 45 45 LEU N N 15 119.074 0.012 . 1 . . 46 . . 45 LEU N . 25745 1 532 . 1 . 1 46 46 GLU H H 1 7.939 0.002 . 1 . . 29 . . 46 GLU H . 25745 1 533 . 1 . 1 46 46 GLU HA H 1 3.769 0.004 . 1 . . 659 . . 46 GLU HA . 25745 1 534 . 1 . 1 46 46 GLU HB2 H 1 1.965 0.003 . 2 . . 662 . . 46 GLU HB2 . 25745 1 535 . 1 . 1 46 46 GLU HB3 H 1 1.858 0.005 . 2 . . 663 . . 46 GLU HB3 . 25745 1 536 . 1 . 1 46 46 GLU HG2 H 1 2.177 0.006 . 2 . . 660 . . 46 GLU HG2 . 25745 1 537 . 1 . 1 46 46 GLU HG3 H 1 2.049 0.004 . 2 . . 661 . . 46 GLU HG3 . 25745 1 538 . 1 . 1 46 46 GLU C C 13 175.991 . . 1 . . 207 . . 46 GLU C . 25745 1 539 . 1 . 1 46 46 GLU CA C 13 56.397 0.015 . 1 . . 208 . . 46 GLU CA . 25745 1 540 . 1 . 1 46 46 GLU CB C 13 26.669 0.014 . 1 . . 206 . . 46 GLU CB . 25745 1 541 . 1 . 1 46 46 GLU CG C 13 33.411 . . 1 . . 462 . . 46 GLU CG . 25745 1 542 . 1 . 1 46 46 GLU N N 15 119.014 0.011 . 1 . . 30 . . 46 GLU N . 25745 1 543 . 1 . 1 47 47 GLU H H 1 7.757 0.003 . 1 . . 1 . . 47 GLU H . 25745 1 544 . 1 . 1 47 47 GLU HA H 1 3.792 0.003 . 1 . . 664 . . 47 GLU HA . 25745 1 545 . 1 . 1 47 47 GLU HB2 H 1 1.819 0.027 . 2 . . 880 . . 47 GLU HB2 . 25745 1 546 . 1 . 1 47 47 GLU HB3 H 1 1.850 . . 2 . . 881 . . 47 GLU HB3 . 25745 1 547 . 1 . 1 47 47 GLU HG2 H 1 2.013 0.003 . 2 . . 878 . . 47 GLU HG2 . 25745 1 548 . 1 . 1 47 47 GLU HG3 H 1 2.139 0.001 . 2 . . 879 . . 47 GLU HG3 . 25745 1 549 . 1 . 1 47 47 GLU C C 13 175.861 . . 1 . . 395 . . 47 GLU C . 25745 1 550 . 1 . 1 47 47 GLU CA C 13 55.801 0.034 . 1 . . 166 . . 47 GLU CA . 25745 1 551 . 1 . 1 47 47 GLU CB C 13 26.260 . . 1 . . 165 . . 47 GLU CB . 25745 1 552 . 1 . 1 47 47 GLU CG C 13 33.402 . . 1 . . 463 . . 47 GLU CG . 25745 1 553 . 1 . 1 47 47 GLU N N 15 118.911 0.014 . 1 . . 2 . . 47 GLU N . 25745 1 554 . 1 . 1 48 48 LYS H H 1 7.711 0.002 . 1 . . 158 . . 48 LYS H . 25745 1 555 . 1 . 1 48 48 LYS HA H 1 3.716 0.003 . 1 . . 665 . . 48 LYS HA . 25745 1 556 . 1 . 1 48 48 LYS HB2 H 1 1.379 0.005 . 2 . . 666 . . 48 LYS HB2 . 25745 1 557 . 1 . 1 48 48 LYS HB3 H 1 1.391 0.006 . 2 . . 667 . . 48 LYS HB3 . 25745 1 558 . 1 . 1 48 48 LYS HG2 H 1 0.927 0.005 . 1 . . 668 . . 48 LYS HG2 . 25745 1 559 . 1 . 1 48 48 LYS HD2 H 1 1.232 0.001 . 1 . . 669 . . 48 LYS HD2 . 25745 1 560 . 1 . 1 48 48 LYS C C 13 176.172 . . 1 . . 398 . . 48 LYS C . 25745 1 561 . 1 . 1 48 48 LYS CA C 13 54.976 0.012 . 1 . . 397 . . 48 LYS CA . 25745 1 562 . 1 . 1 48 48 LYS CB C 13 29.055 0.001 . 1 . . 396 . . 48 LYS CB . 25745 1 563 . 1 . 1 48 48 LYS CG C 13 21.321 0.016 . 1 . . 464 . . 48 LYS CG . 25745 1 564 . 1 . 1 48 48 LYS CD C 13 25.669 0.011 . 1 . . 466 . . 48 LYS CD . 25745 1 565 . 1 . 1 48 48 LYS CE C 13 39.103 . . 1 . . 465 . . 48 LYS CE . 25745 1 566 . 1 . 1 48 48 LYS N N 15 119.567 0.029 . 1 . . 157 . . 48 LYS N . 25745 1 567 . 1 . 1 49 49 ILE H H 1 7.706 0.003 . 1 . . 137 . . 49 ILE H . 25745 1 568 . 1 . 1 49 49 ILE HA H 1 3.664 0.002 . 1 . . 670 . . 49 ILE HA . 25745 1 569 . 1 . 1 49 49 ILE HB H 1 1.744 0.001 . 1 . . 671 . . 49 ILE HB . 25745 1 570 . 1 . 1 49 49 ILE HG12 H 1 1.395 0.002 . 2 . . 672 . . 49 ILE HG12 . 25745 1 571 . 1 . 1 49 49 ILE HG13 H 1 0.961 0.006 . 2 . . 905 . . 49 ILE HG13 . 25745 1 572 . 1 . 1 49 49 ILE HG21 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG21 . 25745 1 573 . 1 . 1 49 49 ILE HG22 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG22 . 25745 1 574 . 1 . 1 49 49 ILE HG23 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG23 . 25745 1 575 . 1 . 1 49 49 ILE HD11 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD11 . 25745 1 576 . 1 . 1 49 49 ILE HD12 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD12 . 25745 1 577 . 1 . 1 49 49 ILE HD13 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD13 . 25745 1 578 . 1 . 1 49 49 ILE C C 13 175.404 . . 1 . . 369 . . 49 ILE C . 25745 1 579 . 1 . 1 49 49 ILE CA C 13 60.618 0.037 . 1 . . 368 . . 49 ILE CA . 25745 1 580 . 1 . 1 49 49 ILE CB C 13 35.160 0.023 . 1 . . 367 . . 49 ILE CB . 25745 1 581 . 1 . 1 49 49 ILE CG1 C 13 25.823 0.012 . 1 . . 467 . . 49 ILE CG1 . 25745 1 582 . 1 . 1 49 49 ILE CG2 C 13 14.592 0.03 . 1 . . 468 . . 49 ILE CG2 . 25745 1 583 . 1 . 1 49 49 ILE CD1 C 13 10.131 0.021 . 1 . . 469 . . 49 ILE CD1 . 25745 1 584 . 1 . 1 49 49 ILE N N 15 119.548 0.008 . 1 . . 138 . . 49 ILE N . 25745 1 585 . 1 . 1 50 50 ARG H H 1 7.850 0.003 . 1 . . 117 . . 50 ARG H . 25745 1 586 . 1 . 1 50 50 ARG HA H 1 3.921 0.004 . 1 . . 675 . . 50 ARG HA . 25745 1 587 . 1 . 1 50 50 ARG HB2 H 1 1.668 0.003 . 1 . . 677 . . 50 ARG HB2 . 25745 1 588 . 1 . 1 50 50 ARG HG2 H 1 1.498 0.003 . 2 . . 678 . . 50 ARG HG2 . 25745 1 589 . 1 . 1 50 50 ARG HG3 H 1 1.408 0.002 . 2 . . 679 . . 50 ARG HG3 . 25745 1 590 . 1 . 1 50 50 ARG HD2 H 1 2.964 0.005 . 1 . . 676 . . 50 ARG HD2 . 25745 1 591 . 1 . 1 50 50 ARG C C 13 174.964 . . 1 . . 340 . . 50 ARG C . 25745 1 592 . 1 . 1 50 50 ARG CA C 13 55.256 0.006 . 1 . . 339 . . 50 ARG CA . 25745 1 593 . 1 . 1 50 50 ARG CB C 13 27.521 0.008 . 1 . . 338 . . 50 ARG CB . 25745 1 594 . 1 . 1 50 50 ARG CG C 13 24.630 . . 1 . . 471 . . 50 ARG CG . 25745 1 595 . 1 . 1 50 50 ARG CD C 13 40.512 0.011 . 1 . . 470 . . 50 ARG CD . 25745 1 596 . 1 . 1 50 50 ARG N N 15 120.898 0.019 . 1 . . 118 . . 50 ARG N . 25745 1 597 . 1 . 1 51 51 SER H H 1 7.938 0.003 . 1 . . 41 . . 51 SER H . 25745 1 598 . 1 . 1 51 51 SER HA H 1 4.148 0.001 . 1 . . 680 . . 51 SER HA . 25745 1 599 . 1 . 1 51 51 SER HB2 H 1 3.732 0.007 . 2 . . 845 . . 51 SER HB2 . 25745 1 600 . 1 . 1 51 51 SER HB3 H 1 3.692 0.004 . 2 . . 846 . . 51 SER HB3 . 25745 1 601 . 1 . 1 51 51 SER C C 13 172.480 . . 1 . . 383 . . 51 SER C . 25745 1 602 . 1 . 1 51 51 SER CA C 13 56.666 0.011 . 1 . . 225 . . 51 SER CA . 25745 1 603 . 1 . 1 51 51 SER CB C 13 60.850 0.019 . 1 . . 224 . . 51 SER CB . 25745 1 604 . 1 . 1 51 51 SER N N 15 113.995 0.009 . 1 . . 42 . . 51 SER N . 25745 1 605 . 1 . 1 52 52 GLY H H 1 7.825 0.005 . 1 . . 149 . . 52 GLY H . 25745 1 606 . 1 . 1 52 52 GLY HA2 H 1 3.706 0.007 . 1 . . 681 . . 52 GLY HA2 . 25745 1 607 . 1 . 1 52 52 GLY C C 13 171.142 . . 1 . . 384 . . 52 GLY C . 25745 1 608 . 1 . 1 52 52 GLY CA C 13 42.591 . . 1 . . 385 . . 52 GLY CA . 25745 1 609 . 1 . 1 52 52 GLY N N 15 109.741 0.006 . 1 . . 150 . . 52 GLY N . 25745 1 610 . 1 . 1 53 53 PHE H H 1 7.836 0.001 . 1 . . 121 . . 53 PHE H . 25745 1 611 . 1 . 1 53 53 PHE HA H 1 4.352 0.002 . 1 . . 682 . . 53 PHE HA . 25745 1 612 . 1 . 1 53 53 PHE HB2 H 1 2.844 0.005 . 1 . . 683 . . 53 PHE HB2 . 25745 1 613 . 1 . 1 53 53 PHE HD1 H 1 7.027 0.001 . 1 . . 898 . . 53 PHE HD1 . 25745 1 614 . 1 . 1 53 53 PHE HD2 H 1 7.027 0.001 . 1 . . 897 . . 53 PHE HD2 . 25745 1 615 . 1 . 1 53 53 PHE HE1 H 1 7.079 . . 1 . . 896 . . 53 PHE HE1 . 25745 1 616 . 1 . 1 53 53 PHE HE2 H 1 7.079 . . 1 . . 895 . . 53 PHE HE2 . 25745 1 617 . 1 . 1 53 53 PHE C C 13 173.061 . . 1 . . 344 . . 53 PHE C . 25745 1 618 . 1 . 1 53 53 PHE CA C 13 55.222 0.025 . 1 . . 345 . . 53 PHE CA . 25745 1 619 . 1 . 1 53 53 PHE CB C 13 36.569 0.012 . 1 . . 343 . . 53 PHE CB . 25745 1 620 . 1 . 1 53 53 PHE N N 15 119.983 0.005 . 1 . . 122 . . 53 PHE N . 25745 1 621 . 1 . 1 54 54 LYS H H 1 8.105 0.002 . 1 . . 7 . . 54 LYS H . 25745 1 622 . 1 . 1 54 54 LYS HA H 1 4.037 0.001 . 1 . . 684 . . 54 LYS HA . 25745 1 623 . 1 . 1 54 54 LYS HB2 H 1 1.590 0.001 . 1 . . 687 . . 54 LYS HB2 . 25745 1 624 . 1 . 1 54 54 LYS HB3 H 1 1.590 . . 1 . . 688 . . 54 LYS HB3 . 25745 1 625 . 1 . 1 54 54 LYS HG2 H 1 1.180 . . 2 . . 691 . . 54 LYS HG2 . 25745 1 626 . 1 . 1 54 54 LYS HG3 H 1 1.134 . . 2 . . 692 . . 54 LYS HG3 . 25745 1 627 . 1 . 1 54 54 LYS HD2 H 1 1.479 . . 2 . . 689 . . 54 LYS HD2 . 25745 1 628 . 1 . 1 54 54 LYS HD3 H 1 1.434 . . 2 . . 690 . . 54 LYS HD3 . 25745 1 629 . 1 . 1 54 54 LYS HE2 H 1 2.761 . . 1 . . 685 . . 54 LYS HE2 . 25745 1 630 . 1 . 1 54 54 LYS HE3 H 1 2.761 . . 1 . . 686 . . 54 LYS HE3 . 25745 1 631 . 1 . 1 54 54 LYS C C 13 174.023 . . 1 . . 175 . . 54 LYS C . 25745 1 632 . 1 . 1 54 54 LYS CA C 13 53.499 0.045 . 1 . . 174 . . 54 LYS CA . 25745 1 633 . 1 . 1 54 54 LYS CB C 13 30.071 . . 1 . . 173 . . 54 LYS CB . 25745 1 634 . 1 . 1 54 54 LYS CG C 13 21.812 . . 1 . . 474 . . 54 LYS CG . 25745 1 635 . 1 . 1 54 54 LYS CD C 13 26.161 . . 1 . . 473 . . 54 LYS CD . 25745 1 636 . 1 . 1 54 54 LYS CE C 13 39.300 . . 1 . . 472 . . 54 LYS CE . 25745 1 637 . 1 . 1 54 54 LYS N N 15 123.359 0.024 . 1 . . 8 . . 54 LYS N . 25745 1 638 . 1 . 1 55 55 GLY H H 1 7.626 0.002 . 1 . . 111 . . 55 GLY H . 25745 1 639 . 1 . 1 55 55 GLY HA2 H 1 3.662 0.004 . 1 . . 693 . . 55 GLY HA2 . 25745 1 640 . 1 . 1 55 55 GLY HA3 H 1 3.662 0.004 . 1 . . 694 . . 55 GLY HA3 . 25745 1 641 . 1 . 1 55 55 GLY C C 13 170.979 . . 1 . . 332 . . 55 GLY C . 25745 1 642 . 1 . 1 55 55 GLY CA C 13 42.548 . . 1 . . 331 . . 55 GLY CA . 25745 1 643 . 1 . 1 55 55 GLY N N 15 109.068 0.005 . 1 . . 112 . . 55 GLY N . 25745 1 644 . 1 . 1 56 56 ASP H H 1 8.083 0.005 . 1 . . 33 . . 56 ASP H . 25745 1 645 . 1 . 1 56 56 ASP HA H 1 4.375 0.004 . 1 . . 696 . . 56 ASP HA . 25745 1 646 . 1 . 1 56 56 ASP HB2 H 1 2.451 0.006 . 2 . . 697 . . 56 ASP HB2 . 25745 1 647 . 1 . 1 56 56 ASP HB3 H 1 2.504 0.003 . 2 . . 698 . . 56 ASP HB3 . 25745 1 648 . 1 . 1 56 56 ASP C C 13 173.744 . . 1 . . 212 . . 56 ASP C . 25745 1 649 . 1 . 1 56 56 ASP CA C 13 51.535 . . 1 . . 211 . . 56 ASP CA . 25745 1 650 . 1 . 1 56 56 ASP CB C 13 38.455 0.007 . 1 . . 210 . . 56 ASP CB . 25745 1 651 . 1 . 1 56 56 ASP N N 15 120.522 0.015 . 1 . . 34 . . 56 ASP N . 25745 1 652 . 1 . 1 57 57 ALA H H 1 8.175 0.002 . 1 . . 156 . . 57 ALA H . 25745 1 653 . 1 . 1 57 57 ALA HA H 1 4.003 0.002 . 1 . . 700 . . 57 ALA HA . 25745 1 654 . 1 . 1 57 57 ALA HB1 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB1 . 25745 1 655 . 1 . 1 57 57 ALA HB2 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB2 . 25745 1 656 . 1 . 1 57 57 ALA HB3 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB3 . 25745 1 657 . 1 . 1 57 57 ALA C C 13 175.216 . . 1 . . 394 . . 57 ALA C . 25745 1 658 . 1 . 1 57 57 ALA CA C 13 50.365 0.012 . 1 . . 393 . . 57 ALA CA . 25745 1 659 . 1 . 1 57 57 ALA CB C 13 16.073 0.021 . 1 . . 392 . . 57 ALA CB . 25745 1 660 . 1 . 1 57 57 ALA N N 15 124.412 0.006 . 1 . . 155 . . 57 ALA N . 25745 1 661 . 1 . 1 58 58 GLN H H 1 8.120 0.007 . 1 . . 133 . . 58 GLN H . 25745 1 662 . 1 . 1 58 58 GLN HA H 1 3.950 0.002 . 1 . . 701 . . 58 GLN HA . 25745 1 663 . 1 . 1 58 58 GLN HB2 H 1 1.652 0.002 . 2 . . 883 . . 58 GLN HB2 . 25745 1 664 . 1 . 1 58 58 GLN HB3 H 1 1.700 0.002 . 2 . . 884 . . 58 GLN HB3 . 25745 1 665 . 1 . 1 58 58 GLN HG2 H 1 1.905 0.003 . 1 . . 702 . . 58 GLN HG2 . 25745 1 666 . 1 . 1 58 58 GLN C C 13 173.163 . . 1 . . 362 . . 58 GLN C . 25745 1 667 . 1 . 1 58 58 GLN CA C 13 53.413 0.018 . 1 . . 363 . . 58 GLN CA . 25745 1 668 . 1 . 1 58 58 GLN CB C 13 26.251 0.014 . 1 . . 361 . . 58 GLN CB . 25745 1 669 . 1 . 1 58 58 GLN CG C 13 30.821 . . 1 . . 476 . . 58 GLN CG . 25745 1 670 . 1 . 1 58 58 GLN N N 15 117.943 0.01 . 1 . . 134 . . 58 GLN N . 25745 1 671 . 1 . 1 59 59 PHE H H 1 7.932 0.005 . 1 . . 97 . . 59 PHE H . 25745 1 672 . 1 . 1 59 59 PHE HA H 1 4.347 0.002 . 1 . . 703 . . 59 PHE HA . 25745 1 673 . 1 . 1 59 59 PHE HB2 H 1 2.969 0.003 . 2 . . 704 . . 59 PHE HB2 . 25745 1 674 . 1 . 1 59 59 PHE HB3 H 1 2.797 0.001 . 2 . . 705 . . 59 PHE HB3 . 25745 1 675 . 1 . 1 59 59 PHE HD1 H 1 7.023 0.004 . 1 . . 894 . . 59 PHE HD1 . 25745 1 676 . 1 . 1 59 59 PHE HD2 H 1 7.023 0.004 . 1 . . 893 . . 59 PHE HD2 . 25745 1 677 . 1 . 1 59 59 PHE HE1 H 1 7.088 0.001 . 1 . . 892 . . 59 PHE HE1 . 25745 1 678 . 1 . 1 59 59 PHE HE2 H 1 7.088 0.001 . 1 . . 891 . . 59 PHE HE2 . 25745 1 679 . 1 . 1 59 59 PHE C C 13 173.575 . . 1 . . 312 . . 59 PHE C . 25745 1 680 . 1 . 1 59 59 PHE CA C 13 55.341 . . 1 . . 311 . . 59 PHE CA . 25745 1 681 . 1 . 1 59 59 PHE CB C 13 36.667 0.035 . 1 . . 310 . . 59 PHE CB . 25745 1 682 . 1 . 1 59 59 PHE N N 15 119.838 0.008 . 1 . . 98 . . 59 PHE N . 25745 1 683 . 1 . 1 60 60 GLY H H 1 8.123 0.002 . 1 . . 35 . . 60 GLY H . 25745 1 684 . 1 . 1 60 60 GLY HA2 H 1 3.680 0.006 . 2 . . 706 . . 60 GLY HA2 . 25745 1 685 . 1 . 1 60 60 GLY HA3 H 1 3.689 0.007 . 2 . . 707 . . 60 GLY HA3 . 25745 1 686 . 1 . 1 60 60 GLY C C 13 171.386 . . 1 . . 214 . . 60 GLY C . 25745 1 687 . 1 . 1 60 60 GLY CA C 13 42.559 . . 1 . . 213 . . 60 GLY CA . 25745 1 688 . 1 . 1 60 60 GLY N N 15 109.820 0.035 . 1 . . 36 . . 60 GLY N . 25745 1 689 . 1 . 1 61 61 LYS H H 1 7.968 0.001 . 1 . . 53 . . 61 LYS H . 25745 1 690 . 1 . 1 61 61 LYS HA H 1 3.960 0.001 . 1 . . 708 . . 61 LYS HA . 25745 1 691 . 1 . 1 61 61 LYS HB2 H 1 1.596 0.003 . 1 . . 710 . . 61 LYS HB2 . 25745 1 692 . 1 . 1 61 61 LYS HG2 H 1 1.250 0.012 . 2 . . 712 . . 61 LYS HG2 . 25745 1 693 . 1 . 1 61 61 LYS HG3 H 1 1.166 0.003 . 2 . . 713 . . 61 LYS HG3 . 25745 1 694 . 1 . 1 61 61 LYS HD2 H 1 1.464 . . 1 . . 711 . . 61 LYS HD2 . 25745 1 695 . 1 . 1 61 61 LYS HE2 H 1 2.767 0.001 . 1 . . 709 . . 61 LYS HE2 . 25745 1 696 . 1 . 1 61 61 LYS C C 13 174.728 . . 1 . . 242 . . 61 LYS C . 25745 1 697 . 1 . 1 61 61 LYS CA C 13 54.728 . . 1 . . 241 . . 61 LYS CA . 25745 1 698 . 1 . 1 61 61 LYS CB C 13 30.089 . . 1 . . 240 . . 61 LYS CB . 25745 1 699 . 1 . 1 61 61 LYS CG C 13 21.990 0.015 . 1 . . 479 . . 61 LYS CG . 25745 1 700 . 1 . 1 61 61 LYS CD C 13 26.356 . . 1 . . 478 . . 61 LYS CD . 25745 1 701 . 1 . 1 61 61 LYS CE C 13 39.319 . . 1 . . 477 . . 61 LYS CE . 25745 1 702 . 1 . 1 61 61 LYS N N 15 120.832 0.006 . 1 . . 54 . . 61 LYS N . 25745 1 703 . 1 . 1 62 62 LYS H H 1 8.159 0.003 . 1 . . 23 . . 62 LYS H . 25745 1 704 . 1 . 1 62 62 LYS HA H 1 3.989 . . 1 . . 714 . . 62 LYS HA . 25745 1 705 . 1 . 1 62 62 LYS HB2 H 1 1.579 . . 1 . . 716 . . 62 LYS HB2 . 25745 1 706 . 1 . 1 62 62 LYS HG2 H 1 1.268 . . 2 . . 718 . . 62 LYS HG2 . 25745 1 707 . 1 . 1 62 62 LYS HG3 H 1 1.199 . . 2 . . 719 . . 62 LYS HG3 . 25745 1 708 . 1 . 1 62 62 LYS HD2 H 1 1.454 . . 1 . . 717 . . 62 LYS HD2 . 25745 1 709 . 1 . 1 62 62 LYS HE2 H 1 2.763 0.001 . 1 . . 715 . . 62 LYS HE2 . 25745 1 710 . 1 . 1 62 62 LYS C C 13 174.525 . . 1 . . 196 . . 62 LYS C . 25745 1 711 . 1 . 1 62 62 LYS CA C 13 54.480 . . 1 . . 197 . . 62 LYS CA . 25745 1 712 . 1 . 1 62 62 LYS CB C 13 29.657 . . 1 . . 195 . . 62 LYS CB . 25745 1 713 . 1 . 1 62 62 LYS CG C 13 22.065 . . 1 . . 482 . . 62 LYS CG . 25745 1 714 . 1 . 1 62 62 LYS CD C 13 26.175 . . 1 . . 481 . . 62 LYS CD . 25745 1 715 . 1 . 1 62 62 LYS CE C 13 39.311 . . 1 . . 480 . . 62 LYS CE . 25745 1 716 . 1 . 1 62 62 LYS N N 15 121.242 0.003 . 1 . . 24 . . 62 LYS N . 25745 1 717 . 1 . 1 63 63 ALA H H 1 8.012 0.002 . 1 . . 39 . . 63 ALA H . 25745 1 718 . 1 . 1 63 63 ALA HA H 1 3.966 0.001 . 1 . . 721 . . 63 ALA HA . 25745 1 719 . 1 . 1 63 63 ALA HB1 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB1 . 25745 1 720 . 1 . 1 63 63 ALA HB2 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB2 . 25745 1 721 . 1 . 1 63 63 ALA HB3 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB3 . 25745 1 722 . 1 . 1 63 63 ALA C C 13 176.064 . . 1 . . 222 . . 63 ALA C . 25745 1 723 . 1 . 1 63 63 ALA CA C 13 50.576 . . 1 . . 223 . . 63 ALA CA . 25745 1 724 . 1 . 1 63 63 ALA CB C 13 15.908 . . 1 . . 221 . . 63 ALA CB . 25745 1 725 . 1 . 1 63 63 ALA N N 15 124.167 0.005 . 1 . . 40 . . 63 ALA N . 25745 1 726 . 1 . 1 64 64 LEU H H 1 7.976 0.005 . 1 . . 113 . . 64 LEU H . 25745 1 727 . 1 . 1 64 64 LEU HA H 1 3.953 0.005 . 1 . . 722 . . 64 LEU HA . 25745 1 728 . 1 . 1 64 64 LEU HB2 H 1 1.500 0.007 . 2 . . 723 . . 64 LEU HB2 . 25745 1 729 . 1 . 1 64 64 LEU HB3 H 1 1.359 . . 2 . . 724 . . 64 LEU HB3 . 25745 1 730 . 1 . 1 64 64 LEU HG H 1 1.466 0.002 . 1 . . 871 . . 64 LEU HG . 25745 1 731 . 1 . 1 64 64 LEU HD11 H 1 0.652 . . 2 . . 725 . . 64 LEU HD11 . 25745 1 732 . 1 . 1 64 64 LEU HD12 H 1 0.652 . . 2 . . 725 . . 64 LEU HD12 . 25745 1 733 . 1 . 1 64 64 LEU HD13 H 1 0.652 . . 2 . . 725 . . 64 LEU HD13 . 25745 1 734 . 1 . 1 64 64 LEU HD21 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD21 . 25745 1 735 . 1 . 1 64 64 LEU HD22 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD22 . 25745 1 736 . 1 . 1 64 64 LEU HD23 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD23 . 25745 1 737 . 1 . 1 64 64 LEU C C 13 175.684 . . 1 . . 335 . . 64 LEU C . 25745 1 738 . 1 . 1 64 64 LEU CA C 13 53.481 0.01 . 1 . . 334 . . 64 LEU CA . 25745 1 739 . 1 . 1 64 64 LEU CB C 13 39.103 0.007 . 1 . . 333 . . 64 LEU CB . 25745 1 740 . 1 . 1 64 64 LEU CG C 13 24.205 0.005 . 1 . . 483 . . 64 LEU CG . 25745 1 741 . 1 . 1 64 64 LEU CD1 C 13 20.664 0.006 . 2 . . 485 . . 64 LEU CD1 . 25745 1 742 . 1 . 1 64 64 LEU CD2 C 13 22.155 0.014 . 2 . . 484 . . 64 LEU CD2 . 25745 1 743 . 1 . 1 64 64 LEU N N 15 120.341 0.008 . 1 . . 114 . . 64 LEU N . 25745 1 744 . 1 . 1 65 65 GLU H H 1 8.092 0.003 . 1 . . 151 . . 65 GLU H . 25745 1 745 . 1 . 1 65 65 GLU HA H 1 3.950 0.004 . 1 . . 695 . . 65 GLU HA . 25745 1 746 . 1 . 1 65 65 GLU HB2 H 1 1.821 0.003 . 2 . . 729 . . 65 GLU HB2 . 25745 1 747 . 1 . 1 65 65 GLU HB3 H 1 1.968 0.002 . 2 . . 882 . . 65 GLU HB3 . 25745 1 748 . 1 . 1 65 65 GLU HG2 H 1 2.011 0.004 . 2 . . 727 . . 65 GLU HG2 . 25745 1 749 . 1 . 1 65 65 GLU HG3 H 1 2.136 0.002 . 2 . . 728 . . 65 GLU HG3 . 25745 1 750 . 1 . 1 65 65 GLU C C 13 174.622 . . 1 . . 388 . . 65 GLU C . 25745 1 751 . 1 . 1 65 65 GLU CA C 13 54.682 0.08 . 1 . . 389 . . 65 GLU CA . 25745 1 752 . 1 . 1 65 65 GLU CB C 13 26.872 0.158 . 1 . . 387 . . 65 GLU CB . 25745 1 753 . 1 . 1 65 65 GLU CG C 13 33.488 0.038 . 1 . . 475 . . 65 GLU CG . 25745 1 754 . 1 . 1 65 65 GLU N N 15 120.942 0.014 . 1 . . 152 . . 65 GLU N . 25745 1 755 . 1 . 1 66 66 GLN H H 1 8.091 0.004 . 1 . . 153 . . 66 GLN H . 25745 1 756 . 1 . 1 66 66 GLN HA H 1 4.013 0.002 . 1 . . 730 . . 66 GLN HA . 25745 1 757 . 1 . 1 66 66 GLN HB2 H 1 1.884 0.003 . 2 . . 732 . . 66 GLN HB2 . 25745 1 758 . 1 . 1 66 66 GLN HB3 H 1 1.831 0.003 . 2 . . 733 . . 66 GLN HB3 . 25745 1 759 . 1 . 1 66 66 GLN HG2 H 1 2.177 0.001 . 1 . . 731 . . 66 GLN HG2 . 25745 1 760 . 1 . 1 66 66 GLN C C 13 173.965 . . 1 . . 386 . . 66 GLN C . 25745 1 761 . 1 . 1 66 66 GLN CA C 13 53.915 . . 1 . . 391 . . 66 GLN CA . 25745 1 762 . 1 . 1 66 66 GLN CB C 13 26.230 0.001 . 1 . . 390 . . 66 GLN CB . 25745 1 763 . 1 . 1 66 66 GLN CG C 13 30.948 . . 1 . . 486 . . 66 GLN CG . 25745 1 764 . 1 . 1 66 66 GLN N N 15 120.476 0.002 . 1 . . 154 . . 66 GLN N . 25745 1 765 . 1 . 1 67 67 ARG H H 1 8.035 0.001 . 1 . . 77 . . 67 ARG H . 25745 1 766 . 1 . 1 67 67 ARG HA H 1 3.970 . . 1 . . 734 . . 67 ARG HA . 25745 1 767 . 1 . 1 67 67 ARG HB2 H 1 1.658 0.002 . 2 . . 736 . . 67 ARG HB2 . 25745 1 768 . 1 . 1 67 67 ARG HB3 H 1 1.595 0.005 . 2 . . 737 . . 67 ARG HB3 . 25745 1 769 . 1 . 1 67 67 ARG HG2 H 1 1.447 0.002 . 1 . . 738 . . 67 ARG HG2 . 25745 1 770 . 1 . 1 67 67 ARG HD2 H 1 2.950 . . 1 . . 735 . . 67 ARG HD2 . 25745 1 771 . 1 . 1 67 67 ARG C C 13 173.749 . . 1 . . 278 . . 67 ARG C . 25745 1 772 . 1 . 1 67 67 ARG CA C 13 54.280 . . 1 . . 279 . . 67 ARG CA . 25745 1 773 . 1 . 1 67 67 ARG CB C 13 27.635 0.029 . 1 . . 277 . . 67 ARG CB . 25745 1 774 . 1 . 1 67 67 ARG CG C 13 24.225 . . 1 . . 490 . . 67 ARG CG . 25745 1 775 . 1 . 1 67 67 ARG CD C 13 40.574 . . 1 . . 487 . . 67 ARG CD . 25745 1 776 . 1 . 1 67 67 ARG N N 15 121.250 0.008 . 1 . . 78 . . 67 ARG N . 25745 1 777 . 1 . 1 68 68 ALA H H 1 8.009 0.001 . 1 . . 127 . . 68 ALA H . 25745 1 778 . 1 . 1 68 68 ALA HA H 1 3.997 0.002 . 1 . . 739 . . 68 ALA HA . 25745 1 779 . 1 . 1 68 68 ALA HB1 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB1 . 25745 1 780 . 1 . 1 68 68 ALA HB2 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB2 . 25745 1 781 . 1 . 1 68 68 ALA HB3 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB3 . 25745 1 782 . 1 . 1 68 68 ALA C C 13 175.527 . . 1 . . 352 . . 68 ALA C . 25745 1 783 . 1 . 1 68 68 ALA CA C 13 50.368 0.012 . 1 . . 353 . . 68 ALA CA . 25745 1 784 . 1 . 1 68 68 ALA CB C 13 16.018 0.01 . 1 . . 346 . . 68 ALA CB . 25745 1 785 . 1 . 1 68 68 ALA N N 15 123.389 0.007 . 1 . . 128 . . 68 ALA N . 25745 1 786 . 1 . 1 69 69 LYS H H 1 7.911 0.002 . 1 . . 123 . . 69 LYS H . 25745 1 787 . 1 . 1 69 69 LYS HA H 1 3.983 . . 1 . . 741 . . 69 LYS HA . 25745 1 788 . 1 . 1 69 69 LYS HB2 H 1 1.628 0.023 . 1 . . 743 . . 69 LYS HB2 . 25745 1 789 . 1 . 1 69 69 LYS HG2 H 1 1.299 . . 2 . . 745 . . 69 LYS HG2 . 25745 1 790 . 1 . 1 69 69 LYS HG3 H 1 1.183 . . 2 . . 746 . . 69 LYS HG3 . 25745 1 791 . 1 . 1 69 69 LYS HD2 H 1 1.468 . . 1 . . 744 . . 69 LYS HD2 . 25745 1 792 . 1 . 1 69 69 LYS HE2 H 1 2.762 . . 1 . . 742 . . 69 LYS HE2 . 25745 1 793 . 1 . 1 69 69 LYS C C 13 174.299 . . 1 . . 349 . . 69 LYS C . 25745 1 794 . 1 . 1 69 69 LYS CA C 13 54.325 . . 1 . . 348 . . 69 LYS CA . 25745 1 795 . 1 . 1 69 69 LYS CB C 13 30.045 . . 1 . . 347 . . 69 LYS CB . 25745 1 796 . 1 . 1 69 69 LYS CG C 13 22.189 . . 1 . . 493 . . 69 LYS CG . 25745 1 797 . 1 . 1 69 69 LYS CD C 13 26.328 . . 1 . . 492 . . 69 LYS CD . 25745 1 798 . 1 . 1 69 69 LYS CE C 13 39.348 . . 1 . . 491 . . 69 LYS CE . 25745 1 799 . 1 . 1 69 69 LYS N N 15 119.870 0.008 . 1 . . 124 . . 69 LYS N . 25745 1 800 . 1 . 1 70 70 ILE H H 1 7.866 0.003 . 1 . . 9 . . 70 ILE H . 25745 1 801 . 1 . 1 70 70 ILE HA H 1 3.833 0.002 . 1 . . 747 . . 70 ILE HA . 25745 1 802 . 1 . 1 70 70 ILE HB H 1 1.657 0.004 . 1 . . 748 . . 70 ILE HB . 25745 1 803 . 1 . 1 70 70 ILE HG12 H 1 1.311 0.004 . 1 . . 749 . . 70 ILE HG12 . 25745 1 804 . 1 . 1 70 70 ILE HG21 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG21 . 25745 1 805 . 1 . 1 70 70 ILE HG22 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG22 . 25745 1 806 . 1 . 1 70 70 ILE HG23 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG23 . 25745 1 807 . 1 . 1 70 70 ILE HD11 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD11 . 25745 1 808 . 1 . 1 70 70 ILE HD12 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD12 . 25745 1 809 . 1 . 1 70 70 ILE HD13 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD13 . 25745 1 810 . 1 . 1 70 70 ILE C C 13 173.667 . . 1 . . 178 . . 70 ILE C . 25745 1 811 . 1 . 1 70 70 ILE CA C 13 58.806 0.048 . 1 . . 177 . . 70 ILE CA . 25745 1 812 . 1 . 1 70 70 ILE CB C 13 35.515 0.028 . 1 . . 176 . . 70 ILE CB . 25745 1 813 . 1 . 1 70 70 ILE CG1 C 13 24.874 0.052 . 1 . . 494 . . 70 ILE CG1 . 25745 1 814 . 1 . 1 70 70 ILE CG2 C 13 14.665 0.008 . 1 . . 495 . . 70 ILE CG2 . 25745 1 815 . 1 . 1 70 70 ILE CD1 C 13 9.989 . . 1 . . 496 . . 70 ILE CD1 . 25745 1 816 . 1 . 1 70 70 ILE N N 15 121.689 0.017 . 1 . . 10 . . 70 ILE N . 25745 1 817 . 1 . 1 71 71 LEU H H 1 8.077 0.002 . 1 . . 61 . . 71 LEU H . 25745 1 818 . 1 . 1 71 71 LEU HA H 1 4.077 0.002 . 1 . . 752 . . 71 LEU HA . 25745 1 819 . 1 . 1 71 71 LEU HB2 H 1 1.330 0.004 . 2 . . 754 . . 71 LEU HB2 . 25745 1 820 . 1 . 1 71 71 LEU HB3 H 1 1.444 0.003 . 2 . . 755 . . 71 LEU HB3 . 25745 1 821 . 1 . 1 71 71 LEU HG H 1 1.433 0.001 . 1 . . 872 . . 71 LEU HG . 25745 1 822 . 1 . 1 71 71 LEU HD11 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD11 . 25745 1 823 . 1 . 1 71 71 LEU HD12 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD12 . 25745 1 824 . 1 . 1 71 71 LEU HD13 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD13 . 25745 1 825 . 1 . 1 71 71 LEU HD21 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD21 . 25745 1 826 . 1 . 1 71 71 LEU HD22 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD22 . 25745 1 827 . 1 . 1 71 71 LEU HD23 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD23 . 25745 1 828 . 1 . 1 71 71 LEU C C 13 174.411 . . 1 . . 262 . . 71 LEU C . 25745 1 829 . 1 . 1 71 71 LEU CA C 13 52.544 0.016 . 1 . . 264 . . 71 LEU CA . 25745 1 830 . 1 . 1 71 71 LEU CB C 13 39.295 0.012 . 1 . . 263 . . 71 LEU CB . 25745 1 831 . 1 . 1 71 71 LEU CG C 13 24.201 . . 1 . . 497 . . 71 LEU CG . 25745 1 832 . 1 . 1 71 71 LEU CD1 C 13 20.668 . . 2 . . 498 . . 71 LEU CD1 . 25745 1 833 . 1 . 1 71 71 LEU CD2 C 13 22.160 . . 2 . . 499 . . 71 LEU CD2 . 25745 1 834 . 1 . 1 71 71 LEU N N 15 125.382 0.009 . 1 . . 62 . . 71 LEU N . 25745 1 835 . 1 . 1 72 72 LYS H H 1 7.981 0.003 . 1 . . 69 . . 72 LYS H . 25745 1 836 . 1 . 1 72 72 LYS HA H 1 4.067 . . 1 . . 753 . . 72 LYS HA . 25745 1 837 . 1 . 1 72 72 LYS HB2 H 1 1.575 0.006 . 1 . . 756 . . 72 LYS HB2 . 25745 1 838 . 1 . 1 72 72 LYS HG2 H 1 1.255 . . 2 . . 761 . . 72 LYS HG2 . 25745 1 839 . 1 . 1 72 72 LYS HG3 H 1 1.168 . . 2 . . 762 . . 72 LYS HG3 . 25745 1 840 . 1 . 1 72 72 LYS HD2 H 1 1.461 . . 1 . . 760 . . 72 LYS HD2 . 25745 1 841 . 1 . 1 72 72 LYS HE2 H 1 2.763 . . 1 . . 759 . . 72 LYS HE2 . 25745 1 842 . 1 . 1 72 72 LYS C C 13 173.789 . . 1 . . 267 . . 72 LYS C . 25745 1 843 . 1 . 1 72 72 LYS CA C 13 53.757 . . 1 . . 266 . . 72 LYS CA . 25745 1 844 . 1 . 1 72 72 LYS CB C 13 30.032 . . 1 . . 265 . . 72 LYS CB . 25745 1 845 . 1 . 1 72 72 LYS CG C 13 22.008 0.015 . 1 . . 500 . . 72 LYS CG . 25745 1 846 . 1 . 1 72 72 LYS CD C 13 26.259 . . 1 . . 501 . . 72 LYS CD . 25745 1 847 . 1 . 1 72 72 LYS N N 15 122.192 0.008 . 1 . . 70 . . 72 LYS N . 25745 1 848 . 1 . 1 73 73 VAL H H 1 7.968 0.004 . 1 . . 21 . . 73 VAL H . 25745 1 849 . 1 . 1 73 73 VAL HA H 1 3.802 0.007 . 1 . . 763 . . 73 VAL HA . 25745 1 850 . 1 . 1 73 73 VAL HB H 1 1.850 0.002 . 1 . . 764 . . 73 VAL HB . 25745 1 851 . 1 . 1 73 73 VAL HG11 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG11 . 25745 1 852 . 1 . 1 73 73 VAL HG12 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG12 . 25745 1 853 . 1 . 1 73 73 VAL HG13 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG13 . 25745 1 854 . 1 . 1 73 73 VAL HG21 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG21 . 25745 1 855 . 1 . 1 73 73 VAL HG22 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG22 . 25745 1 856 . 1 . 1 73 73 VAL HG23 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG23 . 25745 1 857 . 1 . 1 73 73 VAL C C 13 173.662 . . 1 . . 193 . . 73 VAL C . 25745 1 858 . 1 . 1 73 73 VAL CA C 13 60.174 0.051 . 1 . . 194 . . 73 VAL CA . 25745 1 859 . 1 . 1 73 73 VAL CB C 13 29.765 0.028 . 1 . . 192 . . 73 VAL CB . 25745 1 860 . 1 . 1 73 73 VAL CG1 C 13 18.206 . . 2 . . 765 . . 73 VAL CG1 . 25745 1 861 . 1 . 1 73 73 VAL CG2 C 13 18.434 . . 2 . . 766 . . 73 VAL CG2 . 25745 1 862 . 1 . 1 73 73 VAL N N 15 122.356 0.023 . 1 . . 22 . . 73 VAL N . 25745 1 863 . 1 . 1 74 74 ILE H H 1 8.082 0.002 . 1 . . 75 . . 74 ILE H . 25745 1 864 . 1 . 1 74 74 ILE HA H 1 3.881 0.003 . 1 . . 769 . . 74 ILE HA . 25745 1 865 . 1 . 1 74 74 ILE HB H 1 1.640 0.006 . 1 . . 770 . . 74 ILE HB . 25745 1 866 . 1 . 1 74 74 ILE HG12 H 1 1.119 . . 1 . . 771 . . 74 ILE HG12 . 25745 1 867 . 1 . 1 74 74 ILE HG21 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG21 . 25745 1 868 . 1 . 1 74 74 ILE HG22 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG22 . 25745 1 869 . 1 . 1 74 74 ILE HG23 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG23 . 25745 1 870 . 1 . 1 74 74 ILE HD11 H 1 0.629 . . 1 . . 773 . . 74 ILE HD11 . 25745 1 871 . 1 . 1 74 74 ILE HD12 H 1 0.629 . . 1 . . 773 . . 74 ILE HD12 . 25745 1 872 . 1 . 1 74 74 ILE HD13 H 1 0.629 . . 1 . . 773 . . 74 ILE HD13 . 25745 1 873 . 1 . 1 74 74 ILE C C 13 173.240 . . 1 . . 276 . . 74 ILE C . 25745 1 874 . 1 . 1 74 74 ILE CA C 13 58.553 0.001 . 1 . . 275 . . 74 ILE CA . 25745 1 875 . 1 . 1 74 74 ILE CB C 13 35.702 0.061 . 1 . . 274 . . 74 ILE CB . 25745 1 876 . 1 . 1 74 74 ILE CG1 C 13 24.595 . . 1 . . 502 . . 74 ILE CG1 . 25745 1 877 . 1 . 1 74 74 ILE CG2 C 13 14.603 . . 1 . . 503 . . 74 ILE CG2 . 25745 1 878 . 1 . 1 74 74 ILE CD1 C 13 10.101 . . 1 . . 504 . . 74 ILE CD1 . 25745 1 879 . 1 . 1 74 74 ILE N N 15 124.593 0.01 . 1 . . 76 . . 74 ILE N . 25745 1 880 . 1 . 1 75 75 ASP H H 1 8.215 0.002 . 1 . . 55 . . 75 ASP H . 25745 1 881 . 1 . 1 75 75 ASP HA H 1 4.360 0.002 . 1 . . 775 . . 75 ASP HA . 25745 1 882 . 1 . 1 75 75 ASP HB2 H 1 2.500 0.002 . 2 . . 776 . . 75 ASP HB2 . 25745 1 883 . 1 . 1 75 75 ASP HB3 H 1 2.386 0.003 . 2 . . 777 . . 75 ASP HB3 . 25745 1 884 . 1 . 1 75 75 ASP C C 13 173.648 . . 1 . . 244 . . 75 ASP C . 25745 1 885 . 1 . 1 75 75 ASP CA C 13 51.664 . . 1 . . 245 . . 75 ASP CA . 25745 1 886 . 1 . 1 75 75 ASP CB C 13 38.373 . . 1 . . 243 . . 75 ASP CB . 25745 1 887 . 1 . 1 75 75 ASP N N 15 124.492 0.01 . 1 . . 56 . . 75 ASP N . 25745 1 888 . 1 . 1 76 76 LYS H H 1 8.128 0.003 . 1 . . 160 . . 76 LYS H . 25745 1 889 . 1 . 1 76 76 LYS HA H 1 4.023 0.001 . 1 . . 778 . . 76 LYS HA . 25745 1 890 . 1 . 1 76 76 LYS HB2 H 1 1.562 0.001 . 2 . . 783 . . 76 LYS HB2 . 25745 1 891 . 1 . 1 76 76 LYS HB3 H 1 1.655 0.004 . 2 . . 784 . . 76 LYS HB3 . 25745 1 892 . 1 . 1 76 76 LYS HG2 H 1 1.208 . . 2 . . 781 . . 76 LYS HG2 . 25745 1 893 . 1 . 1 76 76 LYS HG3 H 1 1.257 . . 2 . . 782 . . 76 LYS HG3 . 25745 1 894 . 1 . 1 76 76 LYS HD2 H 1 1.471 . . 1 . . 780 . . 76 LYS HD2 . 25745 1 895 . 1 . 1 76 76 LYS HE2 H 1 2.785 . . 1 . . 779 . . 76 LYS HE2 . 25745 1 896 . 1 . 1 76 76 LYS C C 13 174.072 . . 1 . . 258 . . 76 LYS C . 25745 1 897 . 1 . 1 76 76 LYS CA C 13 53.811 . . 1 . . 400 . . 76 LYS CA . 25745 1 898 . 1 . 1 76 76 LYS CB C 13 29.930 . . 1 . . 399 . . 76 LYS CB . 25745 1 899 . 1 . 1 76 76 LYS CG C 13 21.981 0.015 . 1 . . 507 . . 76 LYS CG . 25745 1 900 . 1 . 1 76 76 LYS CD C 13 26.226 . . 1 . . 506 . . 76 LYS CD . 25745 1 901 . 1 . 1 76 76 LYS CE C 13 39.264 . . 1 . . 505 . . 76 LYS CE . 25745 1 902 . 1 . 1 76 76 LYS N N 15 122.158 0.007 . 1 . . 159 . . 76 LYS N . 25745 1 903 . 1 . 1 77 77 GLN H H 1 8.215 0.001 . 1 . . 67 . . 77 GLN H . 25745 1 904 . 1 . 1 77 77 GLN HA H 1 4.054 0.002 . 1 . . 774 . . 77 GLN HA . 25745 1 905 . 1 . 1 77 77 GLN HB2 H 1 1.901 0.001 . 2 . . 787 . . 77 GLN HB2 . 25745 1 906 . 1 . 1 77 77 GLN HB3 H 1 1.811 0.004 . 2 . . 788 . . 77 GLN HB3 . 25745 1 907 . 1 . 1 77 77 GLN HG2 H 1 2.161 0.001 . 2 . . 785 . . 77 GLN HG2 . 25745 1 908 . 1 . 1 77 77 GLN HG3 H 1 2.157 0.003 . 2 . . 786 . . 77 GLN HG3 . 25745 1 909 . 1 . 1 77 77 GLN C C 13 173.284 . . 1 . . 261 . . 77 GLN C . 25745 1 910 . 1 . 1 77 77 GLN CA C 13 53.247 0.002 . 1 . . 260 . . 77 GLN CA . 25745 1 911 . 1 . 1 77 77 GLN CB C 13 26.301 . . 1 . . 259 . . 77 GLN CB . 25745 1 912 . 1 . 1 77 77 GLN CG C 13 31.025 . . 1 . . 508 . . 77 GLN CG . 25745 1 913 . 1 . 1 77 77 GLN N N 15 120.468 0.008 . 1 . . 68 . . 77 GLN N . 25745 1 914 . 1 . 1 78 78 LYS H H 1 8.116 0.001 . 1 . . 91 . . 78 LYS H . 25745 1 915 . 1 . 1 78 78 LYS HA H 1 4.131 0.004 . 1 . . 789 . . 78 LYS HA . 25745 1 916 . 1 . 1 78 78 LYS HB2 H 1 1.662 . . 2 . . 791 . . 78 LYS HB2 . 25745 1 917 . 1 . 1 78 78 LYS HB3 H 1 1.564 . . 2 . . 792 . . 78 LYS HB3 . 25745 1 918 . 1 . 1 78 78 LYS HG2 H 1 1.215 . . 2 . . 794 . . 78 LYS HG2 . 25745 1 919 . 1 . 1 78 78 LYS HG3 H 1 1.264 . . 2 . . 795 . . 78 LYS HG3 . 25745 1 920 . 1 . 1 78 78 LYS HD2 H 1 1.468 . . 1 . . 793 . . 78 LYS HD2 . 25745 1 921 . 1 . 1 78 78 LYS HE2 H 1 2.779 . . 1 . . 790 . . 78 LYS HE2 . 25745 1 922 . 1 . 1 78 78 LYS C C 13 173.961 . . 1 . . 304 . . 78 LYS C . 25745 1 923 . 1 . 1 78 78 LYS CA C 13 53.520 . . 1 . . 303 . . 78 LYS CA . 25745 1 924 . 1 . 1 78 78 LYS CB C 13 30.362 . . 1 . . 302 . . 78 LYS CB . 25745 1 925 . 1 . 1 78 78 LYS CG C 13 21.944 . . 1 . . 511 . . 78 LYS CG . 25745 1 926 . 1 . 1 78 78 LYS CD C 13 26.239 . . 1 . . 510 . . 78 LYS CD . 25745 1 927 . 1 . 1 78 78 LYS CE C 13 39.302 . . 1 . . 509 . . 78 LYS CE . 25745 1 928 . 1 . 1 78 78 LYS N N 15 122.146 0.015 . 1 . . 92 . . 78 LYS N . 25745 1 929 . 1 . 1 79 79 GLY H H 1 8.091 . . 1 . . 31 . . 79 GLY H . 25745 1 930 . 1 . 1 79 79 GLY HA2 H 1 3.866 . . 2 . . 851 . . 79 GLY HA2 . 25745 1 931 . 1 . 1 79 79 GLY HA3 H 1 3.914 0.004 . 2 . . 852 . . 79 GLY HA3 . 25745 1 932 . 1 . 1 79 79 GLY C C 13 168.980 . . 1 . . 410 . . 79 GLY C . 25745 1 933 . 1 . 1 79 79 GLY CA C 13 41.787 0.018 . 1 . . 209 . . 79 GLY CA . 25745 1 934 . 1 . 1 79 79 GLY N N 15 109.938 0.005 . 1 . . 32 . . 79 GLY N . 25745 1 935 . 1 . 1 80 80 PRO HA H 1 4.196 0.002 . 1 . . 796 . . 80 PRO HA . 25745 1 936 . 1 . 1 80 80 PRO HB2 H 1 2.014 0.003 . 2 . . 799 . . 80 PRO HB2 . 25745 1 937 . 1 . 1 80 80 PRO HB3 H 1 1.610 0.002 . 2 . . 800 . . 80 PRO HB3 . 25745 1 938 . 1 . 1 80 80 PRO HG2 H 1 1.778 . . 2 . . 859 . . 80 PRO HG2 . 25745 1 939 . 1 . 1 80 80 PRO HG3 H 1 1.665 . . 2 . . 860 . . 80 PRO HG3 . 25745 1 940 . 1 . 1 80 80 PRO HD2 H 1 3.391 0.001 . 1 . . 797 . . 80 PRO HD2 . 25745 1 941 . 1 . 1 80 80 PRO HD3 H 1 3.391 . . 1 . . 798 . . 80 PRO HD3 . 25745 1 942 . 1 . 1 80 80 PRO C C 13 174.109 . . 1 . . 199 . . 80 PRO C . 25745 1 943 . 1 . 1 80 80 PRO CA C 13 60.431 0.001 . 1 . . 198 . . 80 PRO CA . 25745 1 944 . 1 . 1 80 80 PRO CB C 13 29.273 0.009 . 1 . . 411 . . 80 PRO CB . 25745 1 945 . 1 . 1 80 80 PRO CG C 13 24.233 . . 1 . . 513 . . 80 PRO CG . 25745 1 946 . 1 . 1 80 80 PRO CD C 13 46.922 . . 1 . . 512 . . 80 PRO CD . 25745 1 947 . 1 . 1 81 81 HIS H H 1 8.284 0.001 . 1 . . 25 . . 81 HIS H . 25745 1 948 . 1 . 1 81 81 HIS HA H 1 4.366 0.003 . 1 . . 801 . . 81 HIS HA . 25745 1 949 . 1 . 1 81 81 HIS HB2 H 1 2.878 . . 1 . . 802 . . 81 HIS HB2 . 25745 1 950 . 1 . 1 81 81 HIS HB3 H 1 2.879 0.001 . 1 . . 803 . . 81 HIS HB3 . 25745 1 951 . 1 . 1 81 81 HIS C C 13 172.358 . . 1 . . 202 . . 81 HIS C . 25745 1 952 . 1 . 1 81 81 HIS CA C 13 53.361 . . 1 . . 201 . . 81 HIS CA . 25745 1 953 . 1 . 1 81 81 HIS CB C 13 27.771 . . 1 . . 200 . . 81 HIS CB . 25745 1 954 . 1 . 1 81 81 HIS N N 15 120.044 0.019 . 1 . . 26 . . 81 HIS N . 25745 1 955 . 1 . 1 82 82 LYS H H 1 8.034 . . 1 . . 49 . . 82 LYS H . 25745 1 956 . 1 . 1 82 82 LYS HA H 1 4.057 . . 1 . . 804 . . 82 LYS HA . 25745 1 957 . 1 . 1 82 82 LYS HB2 H 1 1.564 . . 1 . . 808 . . 82 LYS HB2 . 25745 1 958 . 1 . 1 82 82 LYS HB3 H 1 1.564 . . 1 . . 807 . . 82 LYS HB3 . 25745 1 959 . 1 . 1 82 82 LYS HG2 H 1 1.159 . . 1 . . 811 . . 82 LYS HG2 . 25745 1 960 . 1 . 1 82 82 LYS HG3 H 1 1.159 . . 1 . . 812 . . 82 LYS HG3 . 25745 1 961 . 1 . 1 82 82 LYS HD2 H 1 1.471 . . 1 . . 810 . . 82 LYS HD2 . 25745 1 962 . 1 . 1 82 82 LYS HD3 H 1 1.471 . . 1 . . 809 . . 82 LYS HD3 . 25745 1 963 . 1 . 1 82 82 LYS HE2 H 1 2.769 . . 1 . . 806 . . 82 LYS HE2 . 25745 1 964 . 1 . 1 82 82 LYS HE3 H 1 2.771 0.001 . 1 . . 805 . . 82 LYS HE3 . 25745 1 965 . 1 . 1 82 82 LYS C C 13 172.957 . . 1 . . 235 . . 82 LYS C . 25745 1 966 . 1 . 1 82 82 LYS CA C 13 53.091 . . 1 . . 236 . . 82 LYS CA . 25745 1 967 . 1 . 1 82 82 LYS CB C 13 30.337 . . 1 . . 234 . . 82 LYS CB . 25745 1 968 . 1 . 1 82 82 LYS CG C 13 21.683 . . 1 . . 516 . . 82 LYS CG . 25745 1 969 . 1 . 1 82 82 LYS CD C 13 26.225 . . 1 . . 515 . . 82 LYS CD . 25745 1 970 . 1 . 1 82 82 LYS CE C 13 39.320 . . 1 . . 514 . . 82 LYS CE . 25745 1 971 . 1 . 1 82 82 LYS N N 15 123.552 0.007 . 1 . . 50 . . 82 LYS N . 25745 1 972 . 1 . 1 83 83 ALA H H 1 8.258 . . 1 . . 109 . . 83 ALA H . 25745 1 973 . 1 . 1 83 83 ALA HA H 1 4.066 0.001 . 1 . . 814 . . 83 ALA HA . 25745 1 974 . 1 . 1 83 83 ALA HB1 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB1 . 25745 1 975 . 1 . 1 83 83 ALA HB2 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB2 . 25745 1 976 . 1 . 1 83 83 ALA HB3 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB3 . 25745 1 977 . 1 . 1 83 83 ALA C C 13 173.999 . . 1 . . 330 . . 83 ALA C . 25745 1 978 . 1 . 1 83 83 ALA CA C 13 49.798 0.01 . 1 . . 329 . . 83 ALA CA . 25745 1 979 . 1 . 1 83 83 ALA CB C 13 16.373 . . 1 . . 328 . . 83 ALA CB . 25745 1 980 . 1 . 1 83 83 ALA N N 15 126.536 0.008 . 1 . . 110 . . 83 ALA N . 25745 1 981 . 1 . 1 84 84 ARG H H 1 7.810 0.002 . 1 . . 135 . . 84 ARG H . 25745 1 982 . 1 . 1 84 84 ARG C C 13 178.310 . . 1 . . 365 . . 84 ARG C . 25745 1 983 . 1 . 1 84 84 ARG CA C 13 54.613 . . 1 . . 366 . . 84 ARG CA . 25745 1 984 . 1 . 1 84 84 ARG CB C 13 28.513 . . 1 . . 364 . . 84 ARG CB . 25745 1 985 . 1 . 1 84 84 ARG N N 15 125.395 0.008 . 1 . . 136 . . 84 ARG N . 25745 1 stop_ save_