data_27405 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27405 _Entry.Title ; The 15N, 13C and 1H Chemical Shift Assignment of Sis1 J domain from S. cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-15 _Entry.Accession_date 2018-02-15 _Entry.Last_release_date 2018-02-15 _Entry.Original_release_date 2018-02-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Chemical shift assignment of Sis1 J-domains' _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 Glaucia Pinheiro . MS . . 27405 2 Gisele Amorim . C. . . 27405 3 Anwar Iqbal . . . . 27405 4 Carlos Ramos . HI . . 27405 5 Fabio Almeida . CL . . 27405 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' . 27405 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of BioNMR, CNRMN, IBqM, UFRJ' . 27405 2 . Unicamp . 27405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 27405 '15N chemical shifts' 73 27405 '1H chemical shifts' 467 27405 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-04-24 . original BMRB . 27405 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27405 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29713947 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments of the J-domain of co-chaperone Sis1 from Saccharomyces cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _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 279 _Citation.Page_last 281 _Citation.Year 2018 _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 Glaucia Pinheiro . MS . . 27405 1 2 Gisele Amorim . C. . . 27405 1 3 Anwar Iqbal . . . . 27405 1 4 Carlos Ramos . HI . . 27405 1 5 Fabio Almeida . CL . . 27405 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HSP40 27405 1 J-domain 27405 1 NMR 27405 1 Sis1 27405 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27405 _Assembly.ID 1 _Assembly.Name 'Sis1 J-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass 9366.455 _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 Sis1J 1 $Sis1_J-domain A . yes native no no . . . 27405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sis1_J-domain _Entity.Sf_category entity _Entity.Sf_framecode Sis1_J-domain _Entity.Entry_ID 27405 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sis1_J-domain _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 ; GMTSVKETKLYDLLGVSPSA NEQELKKGYRKAALKYHPDK PTGDTEKFKEISEAFEILND PQKREIYDQYGLEAARSGGP SFGP ; _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 . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9366.455 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Activates ATPase activity of HSP70' 27405 1 'Binding to HSP70' 27405 1 'Delivers substrate to HSP70' 27405 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 27405 1 2 -1 MET . 27405 1 3 0 THR . 27405 1 4 1 SER . 27405 1 5 2 VAL . 27405 1 6 3 LYS . 27405 1 7 4 GLU . 27405 1 8 5 THR . 27405 1 9 6 LYS . 27405 1 10 7 LEU . 27405 1 11 8 TYR . 27405 1 12 9 ASP . 27405 1 13 10 LEU . 27405 1 14 11 LEU . 27405 1 15 12 GLY . 27405 1 16 13 VAL . 27405 1 17 14 SER . 27405 1 18 15 PRO . 27405 1 19 16 SER . 27405 1 20 17 ALA . 27405 1 21 18 ASN . 27405 1 22 19 GLU . 27405 1 23 20 GLN . 27405 1 24 21 GLU . 27405 1 25 22 LEU . 27405 1 26 23 LYS . 27405 1 27 24 LYS . 27405 1 28 25 GLY . 27405 1 29 26 TYR . 27405 1 30 27 ARG . 27405 1 31 28 LYS . 27405 1 32 29 ALA . 27405 1 33 30 ALA . 27405 1 34 31 LEU . 27405 1 35 32 LYS . 27405 1 36 33 TYR . 27405 1 37 34 HIS . 27405 1 38 35 PRO . 27405 1 39 36 ASP . 27405 1 40 37 LYS . 27405 1 41 38 PRO . 27405 1 42 39 THR . 27405 1 43 40 GLY . 27405 1 44 41 ASP . 27405 1 45 42 THR . 27405 1 46 43 GLU . 27405 1 47 44 LYS . 27405 1 48 45 PHE . 27405 1 49 46 LYS . 27405 1 50 47 GLU . 27405 1 51 48 ILE . 27405 1 52 49 SER . 27405 1 53 50 GLU . 27405 1 54 51 ALA . 27405 1 55 52 PHE . 27405 1 56 53 GLU . 27405 1 57 54 ILE . 27405 1 58 55 LEU . 27405 1 59 56 ASN . 27405 1 60 57 ASP . 27405 1 61 58 PRO . 27405 1 62 59 GLN . 27405 1 63 60 LYS . 27405 1 64 61 ARG . 27405 1 65 62 GLU . 27405 1 66 63 ILE . 27405 1 67 64 TYR . 27405 1 68 65 ASP . 27405 1 69 66 GLN . 27405 1 70 67 TYR . 27405 1 71 68 GLY . 27405 1 72 69 LEU . 27405 1 73 70 GLU . 27405 1 74 71 ALA . 27405 1 75 72 ALA . 27405 1 76 73 ARG . 27405 1 77 74 SER . 27405 1 78 75 GLY . 27405 1 79 76 GLY . 27405 1 80 77 PRO . 27405 1 81 78 SER . 27405 1 82 79 PHE . 27405 1 83 80 GLY . 27405 1 84 81 PRO . 27405 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 27405 1 . MET 2 2 27405 1 . THR 3 3 27405 1 . SER 4 4 27405 1 . VAL 5 5 27405 1 . LYS 6 6 27405 1 . GLU 7 7 27405 1 . THR 8 8 27405 1 . LYS 9 9 27405 1 . LEU 10 10 27405 1 . TYR 11 11 27405 1 . ASP 12 12 27405 1 . LEU 13 13 27405 1 . LEU 14 14 27405 1 . GLY 15 15 27405 1 . VAL 16 16 27405 1 . SER 17 17 27405 1 . PRO 18 18 27405 1 . SER 19 19 27405 1 . ALA 20 20 27405 1 . ASN 21 21 27405 1 . GLU 22 22 27405 1 . GLN 23 23 27405 1 . GLU 24 24 27405 1 . LEU 25 25 27405 1 . LYS 26 26 27405 1 . LYS 27 27 27405 1 . GLY 28 28 27405 1 . TYR 29 29 27405 1 . ARG 30 30 27405 1 . LYS 31 31 27405 1 . ALA 32 32 27405 1 . ALA 33 33 27405 1 . LEU 34 34 27405 1 . LYS 35 35 27405 1 . TYR 36 36 27405 1 . HIS 37 37 27405 1 . PRO 38 38 27405 1 . ASP 39 39 27405 1 . LYS 40 40 27405 1 . PRO 41 41 27405 1 . THR 42 42 27405 1 . GLY 43 43 27405 1 . ASP 44 44 27405 1 . THR 45 45 27405 1 . GLU 46 46 27405 1 . LYS 47 47 27405 1 . PHE 48 48 27405 1 . LYS 49 49 27405 1 . GLU 50 50 27405 1 . ILE 51 51 27405 1 . SER 52 52 27405 1 . GLU 53 53 27405 1 . ALA 54 54 27405 1 . PHE 55 55 27405 1 . GLU 56 56 27405 1 . ILE 57 57 27405 1 . LEU 58 58 27405 1 . ASN 59 59 27405 1 . ASP 60 60 27405 1 . PRO 61 61 27405 1 . GLN 62 62 27405 1 . LYS 63 63 27405 1 . ARG 64 64 27405 1 . GLU 65 65 27405 1 . ILE 66 66 27405 1 . TYR 67 67 27405 1 . ASP 68 68 27405 1 . GLN 69 69 27405 1 . TYR 70 70 27405 1 . GLY 71 71 27405 1 . LEU 72 72 27405 1 . GLU 73 73 27405 1 . ALA 74 74 27405 1 . ALA 75 75 27405 1 . ARG 76 76 27405 1 . SER 77 77 27405 1 . GLY 78 78 27405 1 . GLY 79 79 27405 1 . PRO 80 80 27405 1 . SER 81 81 27405 1 . PHE 82 82 27405 1 . GLY 83 83 27405 1 . PRO 84 84 27405 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 27405 _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 $Sis1_J-domain . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 27405 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 27405 _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 $Sis1_J-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pET32a . . . 27405 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27405 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM Sis1 J-domain in 25 mM Tris-HCl pH 7.5, 200 mM NaCl and 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sis1 J-domain' . . . 1 $Sis1_J-domain . . 250 . . uM . . . . 27405 1 2 'TRIS HCl' 'natural abundance' . . . . . . 25 . . mM . . . . 27405 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27405 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 27405 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 27405 1 pH 7.5 . pH 27405 1 pressure 1 . atm 27405 1 temperature 303 . K 27405 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27405 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27405 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27405 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27405 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 'TCI cryo-probe' . . 27405 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 27405 _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 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 2 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 3 'cbcaconh (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 4 'hbhaconh (H{ca|cca}[co[N]]HA)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 6 'hncaco (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 10 'hbcbcgcdcehe (hbCBcgcdceHE)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 11 'hbcbcgcdhd (hbCBcgcdHD)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 14 'CCn-HCCHTOCSY (H[C_[C]].Jmultibond)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27405 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 27405 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27405 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27405 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27405 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 27405 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . isotropic 27405 1 2 '2D 1H-13C HSQC/HMQC' . . isotropic 27405 1 3 'cbcaconh (H[N[co[{CA|ca[C]}]]])' . . isotropic 27405 1 4 'hbhaconh (H{ca|cca}[co[N]]HA)' . . isotropic 27405 1 5 '3D HNCA' . . isotropic 27405 1 6 'hncaco (H[N[ca[CO]]])' . . isotropic 27405 1 7 '3D HNCO' . . isotropic 27405 1 8 '3D 1H-13C NOESY' . . isotropic 27405 1 9 '3D HNCACB' . . isotropic 27405 1 10 'hbcbcgcdcehe (hbCBcgcdceHE)' . . isotropic 27405 1 11 'hbcbcgcdhd (hbCBcgcdHD)' . . isotropic 27405 1 12 '3D 1H-15N NOESY' . . isotropic 27405 1 13 '3D HN(CO)CA' . . isotropic 27405 1 14 'CCn-HCCHTOCSY (H[C_[C]].Jmultibond)' . . isotropic 27405 1 15 '3D HCCH-TOCSY' . . isotropic 27405 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27405 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 SER C C 13 173.981 0.000 . 1 . . . . . 1 SER C . 27405 1 2 . 1 1 4 4 SER CA C 13 58.020 0.000 . 1 . . . . . 1 SER CA . 27405 1 3 . 1 1 4 4 SER CB C 13 64.135 0.000 . 1 . . . . . 1 SER CB . 27405 1 4 . 1 1 5 5 VAL H H 1 7.842 0.008 . 1 . . . . . 2 VAL H . 27405 1 5 . 1 1 5 5 VAL HA H 1 4.435 0.018 . 1 . . . . . 2 VAL HA . 27405 1 6 . 1 1 5 5 VAL HB H 1 2.481 0.014 . 1 . . . . . 2 VAL HB . 27405 1 7 . 1 1 5 5 VAL HG11 H 1 0.706 0.012 . 2 . . . . . 2 VAL HG11 . 27405 1 8 . 1 1 5 5 VAL HG12 H 1 0.706 0.012 . 2 . . . . . 2 VAL HG12 . 27405 1 9 . 1 1 5 5 VAL HG13 H 1 0.706 0.012 . 2 . . . . . 2 VAL HG13 . 27405 1 10 . 1 1 5 5 VAL HG21 H 1 0.869 0.022 . 2 . . . . . 2 VAL HG21 . 27405 1 11 . 1 1 5 5 VAL HG22 H 1 0.869 0.022 . 2 . . . . . 2 VAL HG22 . 27405 1 12 . 1 1 5 5 VAL HG23 H 1 0.869 0.022 . 2 . . . . . 2 VAL HG23 . 27405 1 13 . 1 1 5 5 VAL C C 13 175.551 0.000 . 1 . . . . . 2 VAL C . 27405 1 14 . 1 1 5 5 VAL CA C 13 60.815 0.145 . 1 . . . . . 2 VAL CA . 27405 1 15 . 1 1 5 5 VAL CB C 13 33.035 0.190 . 1 . . . . . 2 VAL CB . 27405 1 16 . 1 1 5 5 VAL CG1 C 13 19.434 0.000 . 2 . . . . . 2 VAL CG1 . 27405 1 17 . 1 1 5 5 VAL CG2 C 13 22.283 0.000 . 2 . . . . . 2 VAL CG2 . 27405 1 18 . 1 1 5 5 VAL N N 15 117.450 0.077 . 1 . . . . . 2 VAL N . 27405 1 19 . 1 1 6 6 LYS H H 1 8.300 0.014 . 1 . . . . . 3 LYS H . 27405 1 20 . 1 1 6 6 LYS HA H 1 3.946 0.006 . 1 . . . . . 3 LYS HA . 27405 1 21 . 1 1 6 6 LYS HB2 H 1 1.612 0.021 . 2 . . . . . 3 LYS HB2 . 27405 1 22 . 1 1 6 6 LYS HB3 H 1 1.434 0.005 . 2 . . . . . 3 LYS HB3 . 27405 1 23 . 1 1 6 6 LYS HG2 H 1 1.358 0.007 . 1 . . . . . 3 LYS HG2 . 27405 1 24 . 1 1 6 6 LYS HG3 H 1 1.358 0.007 . 1 . . . . . 3 LYS HG3 . 27405 1 25 . 1 1 6 6 LYS HE2 H 1 2.996 0.008 . 1 . . . . . 3 LYS HE2 . 27405 1 26 . 1 1 6 6 LYS HE3 H 1 2.996 0.008 . 1 . . . . . 3 LYS HE3 . 27405 1 27 . 1 1 6 6 LYS C C 13 176.984 0.000 . 1 . . . . . 3 LYS C . 27405 1 28 . 1 1 6 6 LYS CA C 13 58.638 0.061 . 1 . . . . . 3 LYS CA . 27405 1 29 . 1 1 6 6 LYS CB C 13 33.059 0.097 . 1 . . . . . 3 LYS CB . 27405 1 30 . 1 1 6 6 LYS CG C 13 24.451 0.159 . 1 . . . . . 3 LYS CG . 27405 1 31 . 1 1 6 6 LYS CE C 13 42.117 0.050 . 1 . . . . . 3 LYS CE . 27405 1 32 . 1 1 6 6 LYS N N 15 125.850 0.100 . 1 . . . . . 3 LYS N . 27405 1 33 . 1 1 7 7 GLU H H 1 9.227 0.011 . 1 . . . . . 4 GLU H . 27405 1 34 . 1 1 7 7 GLU C C 13 175.863 0.000 . 1 . . . . . 4 GLU C . 27405 1 35 . 1 1 7 7 GLU CA C 13 54.909 0.000 . 1 . . . . . 4 GLU CA . 27405 1 36 . 1 1 7 7 GLU CB C 13 32.636 0.000 . 1 . . . . . 4 GLU CB . 27405 1 37 . 1 1 7 7 GLU N N 15 117.774 0.065 . 1 . . . . . 4 GLU N . 27405 1 38 . 1 1 8 8 THR HA H 1 4.787 0.012 . 1 . . . . . 5 THR HA . 27405 1 39 . 1 1 8 8 THR HB H 1 4.797 0.008 . 1 . . . . . 5 THR HB . 27405 1 40 . 1 1 8 8 THR HG21 H 1 1.111 0.007 . 1 . . . . . 5 THR HG21 . 27405 1 41 . 1 1 8 8 THR HG22 H 1 1.111 0.007 . 1 . . . . . 5 THR HG22 . 27405 1 42 . 1 1 8 8 THR HG23 H 1 1.111 0.007 . 1 . . . . . 5 THR HG23 . 27405 1 43 . 1 1 8 8 THR C C 13 176.695 0.032 . 1 . . . . . 5 THR C . 27405 1 44 . 1 1 8 8 THR CA C 13 62.487 0.165 . 1 . . . . . 5 THR CA . 27405 1 45 . 1 1 8 8 THR CB C 13 69.181 0.203 . 1 . . . . . 5 THR CB . 27405 1 46 . 1 1 8 8 THR CG2 C 13 20.060 0.010 . 1 . . . . . 5 THR CG2 . 27405 1 47 . 1 1 9 9 LYS H H 1 7.678 0.006 . 1 . . . . . 6 LYS H . 27405 1 48 . 1 1 9 9 LYS HA H 1 4.168 0.012 . 1 . . . . . 6 LYS HA . 27405 1 49 . 1 1 9 9 LYS HB2 H 1 1.831 0.008 . 2 . . . . . 6 LYS HB2 . 27405 1 50 . 1 1 9 9 LYS HB3 H 1 2.131 0.008 . 2 . . . . . 6 LYS HB3 . 27405 1 51 . 1 1 9 9 LYS HG2 H 1 1.437 0.018 . 1 . . . . . 6 LYS HG2 . 27405 1 52 . 1 1 9 9 LYS HG3 H 1 1.425 0.026 . 1 . . . . . 6 LYS HG3 . 27405 1 53 . 1 1 9 9 LYS HE2 H 1 2.927 0.000 . 1 . . . . . 6 LYS HE2 . 27405 1 54 . 1 1 9 9 LYS HE3 H 1 2.927 0.000 . 1 . . . . . 6 LYS HE3 . 27405 1 55 . 1 1 9 9 LYS C C 13 177.407 0.012 . 1 . . . . . 6 LYS C . 27405 1 56 . 1 1 9 9 LYS CA C 13 60.742 0.220 . 1 . . . . . 6 LYS CA . 27405 1 57 . 1 1 9 9 LYS CB C 13 33.135 0.058 . 1 . . . . . 6 LYS CB . 27405 1 58 . 1 1 9 9 LYS CG C 13 24.573 0.097 . 1 . . . . . 6 LYS CG . 27405 1 59 . 1 1 9 9 LYS CD C 13 29.219 0.018 . 1 . . . . . 6 LYS CD . 27405 1 60 . 1 1 9 9 LYS CE C 13 42.378 0.118 . 1 . . . . . 6 LYS CE . 27405 1 61 . 1 1 9 9 LYS N N 15 123.272 0.065 . 1 . . . . . 6 LYS N . 27405 1 62 . 1 1 10 10 LEU H H 1 8.287 0.009 . 1 . . . . . 7 LEU H . 27405 1 63 . 1 1 10 10 LEU HA H 1 3.819 0.015 . 1 . . . . . 7 LEU HA . 27405 1 64 . 1 1 10 10 LEU HB2 H 1 0.825 0.015 . 1 . . . . . 7 LEU HB2 . 27405 1 65 . 1 1 10 10 LEU HB3 H 1 0.823 0.016 . 1 . . . . . 7 LEU HB3 . 27405 1 66 . 1 1 10 10 LEU HG H 1 1.295 0.017 . 1 . . . . . 7 LEU HG . 27405 1 67 . 1 1 10 10 LEU HD11 H 1 0.812 0.108 . 1 . . . . . 7 LEU HD11 . 27405 1 68 . 1 1 10 10 LEU HD12 H 1 0.502 0.011 . 2 . . . . . 7 LEU HD12 . 27405 1 69 . 1 1 10 10 LEU HD13 H 1 0.502 0.011 . 2 . . . . . 7 LEU HD13 . 27405 1 70 . 1 1 10 10 LEU HD21 H 1 0.815 0.109 . 1 . . . . . 7 LEU HD21 . 27405 1 71 . 1 1 10 10 LEU HD22 H 1 -0.114 0.009 . 2 . . . . . 7 LEU HD22 . 27405 1 72 . 1 1 10 10 LEU HD23 H 1 0.815 0.109 . 1 . . . . . 7 LEU HD23 . 27405 1 73 . 1 1 10 10 LEU C C 13 177.698 0.017 . 1 . . . . . 7 LEU C . 27405 1 74 . 1 1 10 10 LEU CA C 13 58.491 0.147 . 1 . . . . . 7 LEU CA . 27405 1 75 . 1 1 10 10 LEU CB C 13 40.485 0.109 . 1 . . . . . 7 LEU CB . 27405 1 76 . 1 1 10 10 LEU CG C 13 25.532 0.224 . 1 . . . . . 7 LEU CG . 27405 1 77 . 1 1 10 10 LEU CD1 C 13 20.986 0.033 . 1 . . . . . 7 LEU CD1 . 27405 1 78 . 1 1 10 10 LEU CD2 C 13 21.269 0.202 . 1 . . . . . 7 LEU CD2 . 27405 1 79 . 1 1 10 10 LEU N N 15 113.624 0.041 . 1 . . . . . 7 LEU N . 27405 1 80 . 1 1 11 11 TYR H H 1 6.731 0.007 . 1 . . . . . 8 TYR H . 27405 1 81 . 1 1 11 11 TYR HA H 1 3.770 0.011 . 1 . . . . . 8 TYR HA . 27405 1 82 . 1 1 11 11 TYR HB2 H 1 2.885 0.007 . 2 . . . . . 8 TYR HB2 . 27405 1 83 . 1 1 11 11 TYR HB3 H 1 3.140 0.009 . 2 . . . . . 8 TYR HB3 . 27405 1 84 . 1 1 11 11 TYR HD1 H 1 6.922 0.012 . 1 . . . . . 8 TYR HD1 . 27405 1 85 . 1 1 11 11 TYR HD2 H 1 6.922 0.012 . 1 . . . . . 8 TYR HD2 . 27405 1 86 . 1 1 11 11 TYR C C 13 178.652 0.010 . 1 . . . . . 8 TYR C . 27405 1 87 . 1 1 11 11 TYR CA C 13 61.491 0.139 . 1 . . . . . 8 TYR CA . 27405 1 88 . 1 1 11 11 TYR CB C 13 36.930 0.186 . 1 . . . . . 8 TYR CB . 27405 1 89 . 1 1 11 11 TYR CD1 C 13 132.870 0.000 . 1 . . . . . 8 TYR CD1 . 27405 1 90 . 1 1 11 11 TYR CD2 C 13 132.870 0.000 . 1 . . . . . 8 TYR CD2 . 27405 1 91 . 1 1 11 11 TYR N N 15 114.814 0.052 . 1 . . . . . 8 TYR N . 27405 1 92 . 1 1 12 12 ASP H H 1 8.557 0.007 . 1 . . . . . 9 ASP H . 27405 1 93 . 1 1 12 12 ASP HA H 1 4.414 0.005 . 1 . . . . . 9 ASP HA . 27405 1 94 . 1 1 12 12 ASP HB2 H 1 2.698 0.019 . 2 . . . . . 9 ASP HB2 . 27405 1 95 . 1 1 12 12 ASP HB3 H 1 2.855 0.023 . 2 . . . . . 9 ASP HB3 . 27405 1 96 . 1 1 12 12 ASP C C 13 180.572 0.000 . 1 . . . . . 9 ASP C . 27405 1 97 . 1 1 12 12 ASP CA C 13 57.482 0.190 . 1 . . . . . 9 ASP CA . 27405 1 98 . 1 1 12 12 ASP CB C 13 39.976 0.092 . 1 . . . . . 9 ASP CB . 27405 1 99 . 1 1 12 12 ASP N N 15 119.951 0.074 . 1 . . . . . 9 ASP N . 27405 1 100 . 1 1 13 13 LEU H H 1 8.319 0.006 . 1 . . . . . 10 LEU H . 27405 1 101 . 1 1 13 13 LEU HA H 1 4.019 0.011 . 1 . . . . . 10 LEU HA . 27405 1 102 . 1 1 13 13 LEU HB2 H 1 1.237 0.009 . 2 . . . . . 10 LEU HB2 . 27405 1 103 . 1 1 13 13 LEU HB3 H 1 1.953 0.008 . 2 . . . . . 10 LEU HB3 . 27405 1 104 . 1 1 13 13 LEU HG H 1 0.750 0.019 . 1 . . . . . 10 LEU HG . 27405 1 105 . 1 1 13 13 LEU HD11 H 1 0.775 0.012 . 1 . . . . . 10 LEU HD11 . 27405 1 106 . 1 1 13 13 LEU HD12 H 1 0.775 0.012 . 1 . . . . . 10 LEU HD12 . 27405 1 107 . 1 1 13 13 LEU HD13 H 1 0.775 0.012 . 1 . . . . . 10 LEU HD13 . 27405 1 108 . 1 1 13 13 LEU HD21 H 1 0.773 0.015 . 1 . . . . . 10 LEU HD21 . 27405 1 109 . 1 1 13 13 LEU HD22 H 1 0.773 0.015 . 1 . . . . . 10 LEU HD22 . 27405 1 110 . 1 1 13 13 LEU HD23 H 1 0.773 0.015 . 1 . . . . . 10 LEU HD23 . 27405 1 111 . 1 1 13 13 LEU C C 13 178.011 0.024 . 1 . . . . . 10 LEU C . 27405 1 112 . 1 1 13 13 LEU CA C 13 57.755 0.107 . 1 . . . . . 10 LEU CA . 27405 1 113 . 1 1 13 13 LEU CB C 13 42.814 0.198 . 1 . . . . . 10 LEU CB . 27405 1 114 . 1 1 13 13 LEU CG C 13 26.441 0.139 . 1 . . . . . 10 LEU CG . 27405 1 115 . 1 1 13 13 LEU CD1 C 13 23.586 0.186 . 1 . . . . . 10 LEU CD1 . 27405 1 116 . 1 1 13 13 LEU CD2 C 13 23.621 0.187 . 1 . . . . . 10 LEU CD2 . 27405 1 117 . 1 1 13 13 LEU N N 15 121.079 0.057 . 1 . . . . . 10 LEU N . 27405 1 118 . 1 1 14 14 LEU H H 1 6.929 0.006 . 1 . . . . . 11 LEU H . 27405 1 119 . 1 1 14 14 LEU HA H 1 4.239 0.023 . 1 . . . . . 11 LEU HA . 27405 1 120 . 1 1 14 14 LEU HB2 H 1 1.823 0.016 . 2 . . . . . 11 LEU HB2 . 27405 1 121 . 1 1 14 14 LEU HB3 H 1 1.612 0.011 . 2 . . . . . 11 LEU HB3 . 27405 1 122 . 1 1 14 14 LEU HG H 1 0.944 0.025 . 1 . . . . . 11 LEU HG . 27405 1 123 . 1 1 14 14 LEU C C 13 178.036 0.000 . 1 . . . . . 11 LEU C . 27405 1 124 . 1 1 14 14 LEU CA C 13 53.913 0.199 . 1 . . . . . 11 LEU CA . 27405 1 125 . 1 1 14 14 LEU CB C 13 42.837 0.062 . 1 . . . . . 11 LEU CB . 27405 1 126 . 1 1 14 14 LEU CG C 13 26.263 0.084 . 1 . . . . . 11 LEU CG . 27405 1 127 . 1 1 14 14 LEU CD1 C 13 23.399 0.000 . 1 . . . . . 11 LEU CD1 . 27405 1 128 . 1 1 14 14 LEU CD2 C 13 23.399 0.000 . 1 . . . . . 11 LEU CD2 . 27405 1 129 . 1 1 14 14 LEU N N 15 113.966 0.036 . 1 . . . . . 11 LEU N . 27405 1 130 . 1 1 15 15 GLY H H 1 7.934 0.008 . 1 . . . . . 12 GLY H . 27405 1 131 . 1 1 15 15 GLY HA2 H 1 3.949 0.017 . 1 . . . . . 12 GLY HA2 . 27405 1 132 . 1 1 15 15 GLY HA3 H 1 3.941 0.005 . 1 . . . . . 12 GLY HA3 . 27405 1 133 . 1 1 15 15 GLY C C 13 175.591 0.000 . 1 . . . . . 12 GLY C . 27405 1 134 . 1 1 15 15 GLY CA C 13 46.836 0.121 . 1 . . . . . 12 GLY CA . 27405 1 135 . 1 1 15 15 GLY N N 15 108.323 0.041 . 1 . . . . . 12 GLY N . 27405 1 136 . 1 1 16 16 VAL H H 1 7.802 0.007 . 1 . . . . . 13 VAL H . 27405 1 137 . 1 1 16 16 VAL HA H 1 4.844 0.006 . 1 . . . . . 13 VAL HA . 27405 1 138 . 1 1 16 16 VAL HB H 1 2.452 0.008 . 1 . . . . . 13 VAL HB . 27405 1 139 . 1 1 16 16 VAL HG11 H 1 0.985 0.000 . 2 . . . . . 13 VAL HG11 . 27405 1 140 . 1 1 16 16 VAL HG12 H 1 0.985 0.000 . 2 . . . . . 13 VAL HG12 . 27405 1 141 . 1 1 16 16 VAL HG13 H 1 0.985 0.000 . 2 . . . . . 13 VAL HG13 . 27405 1 142 . 1 1 16 16 VAL HG21 H 1 0.898 0.000 . 2 . . . . . 13 VAL HG21 . 27405 1 143 . 1 1 16 16 VAL HG22 H 1 0.898 0.000 . 2 . . . . . 13 VAL HG22 . 27405 1 144 . 1 1 16 16 VAL HG23 H 1 0.898 0.000 . 2 . . . . . 13 VAL HG23 . 27405 1 145 . 1 1 16 16 VAL C C 13 174.562 0.000 . 1 . . . . . 13 VAL C . 27405 1 146 . 1 1 16 16 VAL CA C 13 58.431 0.127 . 1 . . . . . 13 VAL CA . 27405 1 147 . 1 1 16 16 VAL CB C 13 35.214 0.164 . 1 . . . . . 13 VAL CB . 27405 1 148 . 1 1 16 16 VAL CG1 C 13 19.274 0.000 . 2 . . . . . 13 VAL CG1 . 27405 1 149 . 1 1 16 16 VAL CG2 C 13 21.401 0.000 . 2 . . . . . 13 VAL CG2 . 27405 1 150 . 1 1 16 16 VAL N N 15 110.405 0.043 . 1 . . . . . 13 VAL N . 27405 1 151 . 1 1 17 17 SER H H 1 8.350 0.006 . 1 . . . . . 14 SER H . 27405 1 152 . 1 1 17 17 SER C C 13 173.279 0.000 . 1 . . . . . 14 SER C . 27405 1 153 . 1 1 17 17 SER CA C 13 56.234 0.000 . 1 . . . . . 14 SER CA . 27405 1 154 . 1 1 17 17 SER CB C 13 63.757 0.000 . 1 . . . . . 14 SER CB . 27405 1 155 . 1 1 17 17 SER N N 15 116.554 0.038 . 1 . . . . . 14 SER N . 27405 1 156 . 1 1 18 18 PRO HA H 1 2.451 0.016 . 1 . . . . . 15 PRO HA . 27405 1 157 . 1 1 18 18 PRO HB2 H 1 1.552 0.022 . 2 . . . . . 15 PRO HB2 . 27405 1 158 . 1 1 18 18 PRO HB3 H 1 1.717 0.008 . 2 . . . . . 15 PRO HB3 . 27405 1 159 . 1 1 18 18 PRO HG2 H 1 1.956 0.011 . 2 . . . . . 15 PRO HG2 . 27405 1 160 . 1 1 18 18 PRO HG3 H 1 1.381 0.012 . 2 . . . . . 15 PRO HG3 . 27405 1 161 . 1 1 18 18 PRO HD2 H 1 3.444 0.004 . 2 . . . . . 15 PRO HD2 . 27405 1 162 . 1 1 18 18 PRO HD3 H 1 3.129 0.007 . 2 . . . . . 15 PRO HD3 . 27405 1 163 . 1 1 18 18 PRO C C 13 175.894 0.000 . 1 . . . . . 15 PRO C . 27405 1 164 . 1 1 18 18 PRO CA C 13 63.315 0.192 . 1 . . . . . 15 PRO CA . 27405 1 165 . 1 1 18 18 PRO CB C 13 32.116 0.127 . 1 . . . . . 15 PRO CB . 27405 1 166 . 1 1 18 18 PRO CG C 13 27.777 0.071 . 1 . . . . . 15 PRO CG . 27405 1 167 . 1 1 18 18 PRO CD C 13 49.866 0.279 . 1 . . . . . 15 PRO CD . 27405 1 168 . 1 1 19 19 SER H H 1 7.238 0.006 . 1 . . . . . 16 SER H . 27405 1 169 . 1 1 19 19 SER HA H 1 4.319 0.011 . 1 . . . . . 16 SER HA . 27405 1 170 . 1 1 19 19 SER HB2 H 1 3.693 0.012 . 2 . . . . . 16 SER HB2 . 27405 1 171 . 1 1 19 19 SER HB3 H 1 3.885 0.047 . 2 . . . . . 16 SER HB3 . 27405 1 172 . 1 1 19 19 SER C C 13 174.495 0.000 . 1 . . . . . 16 SER C . 27405 1 173 . 1 1 19 19 SER CA C 13 57.132 0.164 . 1 . . . . . 16 SER CA . 27405 1 174 . 1 1 19 19 SER CB C 13 63.313 0.219 . 1 . . . . . 16 SER CB . 27405 1 175 . 1 1 19 19 SER N N 15 108.479 0.049 . 1 . . . . . 16 SER N . 27405 1 176 . 1 1 20 20 ALA H H 1 7.707 0.009 . 1 . . . . . 17 ALA H . 27405 1 177 . 1 1 20 20 ALA HA H 1 4.275 0.008 . 1 . . . . . 17 ALA HA . 27405 1 178 . 1 1 20 20 ALA HB1 H 1 1.544 0.013 . 1 . . . . . 17 ALA HB1 . 27405 1 179 . 1 1 20 20 ALA HB2 H 1 1.544 0.013 . 1 . . . . . 17 ALA HB2 . 27405 1 180 . 1 1 20 20 ALA HB3 H 1 1.544 0.013 . 1 . . . . . 17 ALA HB3 . 27405 1 181 . 1 1 20 20 ALA C C 13 177.913 0.018 . 1 . . . . . 17 ALA C . 27405 1 182 . 1 1 20 20 ALA CA C 13 53.241 0.168 . 1 . . . . . 17 ALA CA . 27405 1 183 . 1 1 20 20 ALA CB C 13 19.887 0.191 . 1 . . . . . 17 ALA CB . 27405 1 184 . 1 1 20 20 ALA N N 15 124.776 0.043 . 1 . . . . . 17 ALA N . 27405 1 185 . 1 1 21 21 ASN H H 1 8.582 0.011 . 1 . . . . . 18 ASN H . 27405 1 186 . 1 1 21 21 ASN HA H 1 4.963 0.012 . 1 . . . . . 18 ASN HA . 27405 1 187 . 1 1 21 21 ASN HB2 H 1 3.438 0.011 . 2 . . . . . 18 ASN HB2 . 27405 1 188 . 1 1 21 21 ASN HB3 H 1 3.013 0.008 . 2 . . . . . 18 ASN HB3 . 27405 1 189 . 1 1 21 21 ASN C C 13 175.428 0.007 . 1 . . . . . 18 ASN C . 27405 1 190 . 1 1 21 21 ASN CA C 13 50.725 0.146 . 1 . . . . . 18 ASN CA . 27405 1 191 . 1 1 21 21 ASN CB C 13 38.922 0.150 . 1 . . . . . 18 ASN CB . 27405 1 192 . 1 1 21 21 ASN N N 15 120.382 0.134 . 1 . . . . . 18 ASN N . 27405 1 193 . 1 1 22 22 GLU H H 1 8.676 0.012 . 1 . . . . . 19 GLU H . 27405 1 194 . 1 1 22 22 GLU HA H 1 3.999 0.010 . 1 . . . . . 19 GLU HA . 27405 1 195 . 1 1 22 22 GLU HB2 H 1 2.232 0.008 . 2 . . . . . 19 GLU HB2 . 27405 1 196 . 1 1 22 22 GLU HB3 H 1 2.083 0.016 . 2 . . . . . 19 GLU HB3 . 27405 1 197 . 1 1 22 22 GLU HG2 H 1 2.230 0.008 . 1 . . . . . 19 GLU HG2 . 27405 1 198 . 1 1 22 22 GLU HG3 H 1 2.232 0.009 . 1 . . . . . 19 GLU HG3 . 27405 1 199 . 1 1 22 22 GLU C C 13 178.665 0.015 . 1 . . . . . 19 GLU C . 27405 1 200 . 1 1 22 22 GLU CA C 13 60.544 0.122 . 1 . . . . . 19 GLU CA . 27405 1 201 . 1 1 22 22 GLU CB C 13 29.675 0.134 . 1 . . . . . 19 GLU CB . 27405 1 202 . 1 1 22 22 GLU CG C 13 36.273 0.040 . 1 . . . . . 19 GLU CG . 27405 1 203 . 1 1 22 22 GLU N N 15 117.561 0.062 . 1 . . . . . 19 GLU N . 27405 1 204 . 1 1 23 23 GLN H H 1 8.104 0.005 . 1 . . . . . 20 GLN H . 27405 1 205 . 1 1 23 23 GLN HA H 1 4.099 0.014 . 1 . . . . . 20 GLN HA . 27405 1 206 . 1 1 23 23 GLN HB2 H 1 2.183 0.022 . 1 . . . . . 20 GLN HB2 . 27405 1 207 . 1 1 23 23 GLN HB3 H 1 2.183 0.022 . 1 . . . . . 20 GLN HB3 . 27405 1 208 . 1 1 23 23 GLN HG2 H 1 2.493 0.004 . 1 . . . . . 20 GLN HG2 . 27405 1 209 . 1 1 23 23 GLN HG3 H 1 2.493 0.004 . 1 . . . . . 20 GLN HG3 . 27405 1 210 . 1 1 23 23 GLN C C 13 179.215 0.019 . 1 . . . . . 20 GLN C . 27405 1 211 . 1 1 23 23 GLN CA C 13 59.417 0.135 . 1 . . . . . 20 GLN CA . 27405 1 212 . 1 1 23 23 GLN CB C 13 28.244 0.147 . 1 . . . . . 20 GLN CB . 27405 1 213 . 1 1 23 23 GLN CG C 13 34.451 0.165 . 1 . . . . . 20 GLN CG . 27405 1 214 . 1 1 23 23 GLN N N 15 118.656 0.090 . 1 . . . . . 20 GLN N . 27405 1 215 . 1 1 24 24 GLU H H 1 8.439 0.007 . 1 . . . . . 21 GLU H . 27405 1 216 . 1 1 24 24 GLU HA H 1 4.037 0.007 . 1 . . . . . 21 GLU HA . 27405 1 217 . 1 1 24 24 GLU HB2 H 1 2.316 0.009 . 2 . . . . . 21 GLU HB2 . 27405 1 218 . 1 1 24 24 GLU HB3 H 1 2.011 0.013 . 2 . . . . . 21 GLU HB3 . 27405 1 219 . 1 1 24 24 GLU HG2 H 1 2.543 0.011 . 1 . . . . . 21 GLU HG2 . 27405 1 220 . 1 1 24 24 GLU HG3 H 1 2.543 0.011 . 1 . . . . . 21 GLU HG3 . 27405 1 221 . 1 1 24 24 GLU C C 13 180.225 0.004 . 1 . . . . . 21 GLU C . 27405 1 222 . 1 1 24 24 GLU CA C 13 59.290 0.110 . 1 . . . . . 21 GLU CA . 27405 1 223 . 1 1 24 24 GLU CB C 13 29.930 0.107 . 1 . . . . . 21 GLU CB . 27405 1 224 . 1 1 24 24 GLU CG C 13 36.956 0.216 . 1 . . . . . 21 GLU CG . 27405 1 225 . 1 1 24 24 GLU N N 15 121.213 0.067 . 1 . . . . . 21 GLU N . 27405 1 226 . 1 1 25 25 LEU H H 1 8.712 0.009 . 1 . . . . . 22 LEU H . 27405 1 227 . 1 1 25 25 LEU HA H 1 4.055 0.004 . 1 . . . . . 22 LEU HA . 27405 1 228 . 1 1 25 25 LEU HB2 H 1 2.109 0.009 . 2 . . . . . 22 LEU HB2 . 27405 1 229 . 1 1 25 25 LEU HB3 H 1 1.489 0.014 . 2 . . . . . 22 LEU HB3 . 27405 1 230 . 1 1 25 25 LEU HG H 1 1.833 0.010 . 1 . . . . . 22 LEU HG . 27405 1 231 . 1 1 25 25 LEU HD11 H 1 0.752 0.019 . 2 . . . . . 22 LEU HD11 . 27405 1 232 . 1 1 25 25 LEU HD12 H 1 0.752 0.019 . 2 . . . . . 22 LEU HD12 . 27405 1 233 . 1 1 25 25 LEU HD13 H 1 0.752 0.019 . 2 . . . . . 22 LEU HD13 . 27405 1 234 . 1 1 25 25 LEU HD21 H 1 0.759 0.016 . 2 . . . . . 22 LEU HD21 . 27405 1 235 . 1 1 25 25 LEU HD22 H 1 0.759 0.016 . 2 . . . . . 22 LEU HD22 . 27405 1 236 . 1 1 25 25 LEU HD23 H 1 0.759 0.016 . 2 . . . . . 22 LEU HD23 . 27405 1 237 . 1 1 25 25 LEU C C 13 178.487 0.015 . 1 . . . . . 22 LEU C . 27405 1 238 . 1 1 25 25 LEU CA C 13 58.803 0.126 . 1 . . . . . 22 LEU CA . 27405 1 239 . 1 1 25 25 LEU CB C 13 42.799 0.119 . 1 . . . . . 22 LEU CB . 27405 1 240 . 1 1 25 25 LEU CG C 13 25.548 0.106 . 1 . . . . . 22 LEU CG . 27405 1 241 . 1 1 25 25 LEU N N 15 120.439 0.049 . 1 . . . . . 22 LEU N . 27405 1 242 . 1 1 26 26 LYS H H 1 8.028 0.008 . 1 . . . . . 23 LYS H . 27405 1 243 . 1 1 26 26 LYS HA H 1 3.962 0.015 . 1 . . . . . 23 LYS HA . 27405 1 244 . 1 1 26 26 LYS HB2 H 1 2.049 0.015 . 1 . . . . . 23 LYS HB2 . 27405 1 245 . 1 1 26 26 LYS HB3 H 1 2.045 0.017 . 1 . . . . . 23 LYS HB3 . 27405 1 246 . 1 1 26 26 LYS HG2 H 1 1.570 0.006 . 2 . . . . . 23 LYS HG2 . 27405 1 247 . 1 1 26 26 LYS HG3 H 1 1.764 0.011 . 2 . . . . . 23 LYS HG3 . 27405 1 248 . 1 1 26 26 LYS HD2 H 1 1.777 0.010 . 1 . . . . . 23 LYS HD2 . 27405 1 249 . 1 1 26 26 LYS HD3 H 1 1.777 0.009 . 1 . . . . . 23 LYS HD3 . 27405 1 250 . 1 1 26 26 LYS HE2 H 1 3.062 0.003 . 1 . . . . . 23 LYS HE2 . 27405 1 251 . 1 1 26 26 LYS HE3 H 1 3.061 0.001 . 1 . . . . . 23 LYS HE3 . 27405 1 252 . 1 1 26 26 LYS C C 13 178.948 0.018 . 1 . . . . . 23 LYS C . 27405 1 253 . 1 1 26 26 LYS CA C 13 60.396 0.166 . 1 . . . . . 23 LYS CA . 27405 1 254 . 1 1 26 26 LYS CB C 13 32.412 0.103 . 1 . . . . . 23 LYS CB . 27405 1 255 . 1 1 26 26 LYS CG C 13 26.373 0.089 . 1 . . . . . 23 LYS CG . 27405 1 256 . 1 1 26 26 LYS CD C 13 29.869 0.135 . 1 . . . . . 23 LYS CD . 27405 1 257 . 1 1 26 26 LYS CE C 13 42.441 0.155 . 1 . . . . . 23 LYS CE . 27405 1 258 . 1 1 26 26 LYS N N 15 118.122 0.041 . 1 . . . . . 23 LYS N . 27405 1 259 . 1 1 27 27 LYS H H 1 8.118 0.010 . 1 . . . . . 24 LYS H . 27405 1 260 . 1 1 27 27 LYS HA H 1 4.007 0.010 . 1 . . . . . 24 LYS HA . 27405 1 261 . 1 1 27 27 LYS HB2 H 1 1.921 0.009 . 1 . . . . . 24 LYS HB2 . 27405 1 262 . 1 1 27 27 LYS HB3 H 1 1.922 0.007 . 1 . . . . . 24 LYS HB3 . 27405 1 263 . 1 1 27 27 LYS HG2 H 1 1.439 0.004 . 2 . . . . . 24 LYS HG2 . 27405 1 264 . 1 1 27 27 LYS HG3 H 1 1.667 0.011 . 2 . . . . . 24 LYS HG3 . 27405 1 265 . 1 1 27 27 LYS HE2 H 1 2.959 0.010 . 1 . . . . . 24 LYS HE2 . 27405 1 266 . 1 1 27 27 LYS HE3 H 1 2.959 0.010 . 1 . . . . . 24 LYS HE3 . 27405 1 267 . 1 1 27 27 LYS C C 13 179.543 0.018 . 1 . . . . . 24 LYS C . 27405 1 268 . 1 1 27 27 LYS CA C 13 60.047 0.164 . 1 . . . . . 24 LYS CA . 27405 1 269 . 1 1 27 27 LYS CB C 13 32.585 0.049 . 1 . . . . . 24 LYS CB . 27405 1 270 . 1 1 27 27 LYS CG C 13 26.349 0.008 . 1 . . . . . 24 LYS CG . 27405 1 271 . 1 1 27 27 LYS CE C 13 42.639 0.116 . 1 . . . . . 24 LYS CE . 27405 1 272 . 1 1 27 27 LYS N N 15 119.747 0.105 . 1 . . . . . 24 LYS N . 27405 1 273 . 1 1 28 28 GLY H H 1 8.379 0.006 . 1 . . . . . 25 GLY H . 27405 1 274 . 1 1 28 28 GLY HA2 H 1 3.950 0.014 . 1 . . . . . 25 GLY HA2 . 27405 1 275 . 1 1 28 28 GLY HA3 H 1 3.956 0.012 . 1 . . . . . 25 GLY HA3 . 27405 1 276 . 1 1 28 28 GLY C C 13 176.364 0.012 . 1 . . . . . 25 GLY C . 27405 1 277 . 1 1 28 28 GLY CA C 13 47.420 0.125 . 1 . . . . . 25 GLY CA . 27405 1 278 . 1 1 28 28 GLY N N 15 108.058 0.050 . 1 . . . . . 25 GLY N . 27405 1 279 . 1 1 29 29 TYR H H 1 8.567 0.011 . 1 . . . . . 26 TYR H . 27405 1 280 . 1 1 29 29 TYR HA H 1 4.149 0.013 . 1 . . . . . 26 TYR HA . 27405 1 281 . 1 1 29 29 TYR HB2 H 1 2.796 0.005 . 2 . . . . . 26 TYR HB2 . 27405 1 282 . 1 1 29 29 TYR HB3 H 1 2.575 0.009 . 2 . . . . . 26 TYR HB3 . 27405 1 283 . 1 1 29 29 TYR HD1 H 1 6.427 0.014 . 1 . . . . . 26 TYR HD1 . 27405 1 284 . 1 1 29 29 TYR HD2 H 1 6.427 0.014 . 1 . . . . . 26 TYR HD2 . 27405 1 285 . 1 1 29 29 TYR HE1 H 1 6.409 0.029 . 1 . . . . . 26 TYR HE1 . 27405 1 286 . 1 1 29 29 TYR HE2 H 1 6.409 0.029 . 1 . . . . . 26 TYR HE2 . 27405 1 287 . 1 1 29 29 TYR C C 13 175.952 0.021 . 1 . . . . . 26 TYR C . 27405 1 288 . 1 1 29 29 TYR CA C 13 60.949 0.138 . 1 . . . . . 26 TYR CA . 27405 1 289 . 1 1 29 29 TYR CB C 13 38.626 0.147 . 1 . . . . . 26 TYR CB . 27405 1 290 . 1 1 29 29 TYR CD1 C 13 132.506 0.000 . 1 . . . . . 26 TYR CD1 . 27405 1 291 . 1 1 29 29 TYR CD2 C 13 132.506 0.000 . 1 . . . . . 26 TYR CD2 . 27405 1 292 . 1 1 29 29 TYR CE1 C 13 117.340 0.000 . 1 . . . . . 26 TYR CE1 . 27405 1 293 . 1 1 29 29 TYR CE2 C 13 117.340 0.000 . 1 . . . . . 26 TYR CE2 . 27405 1 294 . 1 1 29 29 TYR N N 15 121.971 0.058 . 1 . . . . . 26 TYR N . 27405 1 295 . 1 1 30 30 ARG H H 1 8.233 0.010 . 1 . . . . . 27 ARG H . 27405 1 296 . 1 1 30 30 ARG HA H 1 3.511 0.006 . 1 . . . . . 27 ARG HA . 27405 1 297 . 1 1 30 30 ARG HB2 H 1 1.842 0.014 . 1 . . . . . 27 ARG HB2 . 27405 1 298 . 1 1 30 30 ARG HB3 H 1 1.842 0.013 . 1 . . . . . 27 ARG HB3 . 27405 1 299 . 1 1 30 30 ARG HG2 H 1 1.575 0.017 . 1 . . . . . 27 ARG HG2 . 27405 1 300 . 1 1 30 30 ARG HG3 H 1 1.573 0.016 . 1 . . . . . 27 ARG HG3 . 27405 1 301 . 1 1 30 30 ARG HD2 H 1 3.146 0.009 . 1 . . . . . 27 ARG HD2 . 27405 1 302 . 1 1 30 30 ARG HD3 H 1 3.146 0.009 . 1 . . . . . 27 ARG HD3 . 27405 1 303 . 1 1 30 30 ARG C C 13 178.912 0.009 . 1 . . . . . 27 ARG C . 27405 1 304 . 1 1 30 30 ARG CA C 13 59.566 0.131 . 1 . . . . . 27 ARG CA . 27405 1 305 . 1 1 30 30 ARG CB C 13 29.771 0.206 . 1 . . . . . 27 ARG CB . 27405 1 306 . 1 1 30 30 ARG CG C 13 27.631 0.081 . 1 . . . . . 27 ARG CG . 27405 1 307 . 1 1 30 30 ARG CD C 13 43.509 0.104 . 1 . . . . . 27 ARG CD . 27405 1 308 . 1 1 30 30 ARG N N 15 118.207 0.040 . 1 . . . . . 27 ARG N . 27405 1 309 . 1 1 31 31 LYS H H 1 7.727 0.009 . 1 . . . . . 28 LYS H . 27405 1 310 . 1 1 31 31 LYS HA H 1 3.925 0.012 . 1 . . . . . 28 LYS HA . 27405 1 311 . 1 1 31 31 LYS HB2 H 1 1.906 0.008 . 1 . . . . . 28 LYS HB2 . 27405 1 312 . 1 1 31 31 LYS HB3 H 1 1.903 0.004 . 1 . . . . . 28 LYS HB3 . 27405 1 313 . 1 1 31 31 LYS C C 13 178.946 0.015 . 1 . . . . . 28 LYS C . 27405 1 314 . 1 1 31 31 LYS CA C 13 59.571 0.099 . 1 . . . . . 28 LYS CA . 27405 1 315 . 1 1 31 31 LYS CB C 13 32.623 0.048 . 1 . . . . . 28 LYS CB . 27405 1 316 . 1 1 31 31 LYS CG C 13 25.081 0.019 . 1 . . . . . 28 LYS CG . 27405 1 317 . 1 1 31 31 LYS CD C 13 29.460 0.000 . 1 . . . . . 28 LYS CD . 27405 1 318 . 1 1 31 31 LYS CE C 13 42.094 0.000 . 1 . . . . . 28 LYS CE . 27405 1 319 . 1 1 31 31 LYS N N 15 117.437 0.061 . 1 . . . . . 28 LYS N . 27405 1 320 . 1 1 32 32 ALA H H 1 8.026 0.007 . 1 . . . . . 29 ALA H . 27405 1 321 . 1 1 32 32 ALA HA H 1 4.165 0.004 . 1 . . . . . 29 ALA HA . 27405 1 322 . 1 1 32 32 ALA HB1 H 1 1.617 0.012 . 1 . . . . . 29 ALA HB1 . 27405 1 323 . 1 1 32 32 ALA HB2 H 1 1.617 0.012 . 1 . . . . . 29 ALA HB2 . 27405 1 324 . 1 1 32 32 ALA HB3 H 1 1.617 0.012 . 1 . . . . . 29 ALA HB3 . 27405 1 325 . 1 1 32 32 ALA C C 13 179.388 0.015 . 1 . . . . . 29 ALA C . 27405 1 326 . 1 1 32 32 ALA CA C 13 54.981 0.132 . 1 . . . . . 29 ALA CA . 27405 1 327 . 1 1 32 32 ALA CB C 13 18.739 0.197 . 1 . . . . . 29 ALA CB . 27405 1 328 . 1 1 32 32 ALA N N 15 122.578 0.073 . 1 . . . . . 29 ALA N . 27405 1 329 . 1 1 33 33 ALA H H 1 8.880 0.008 . 1 . . . . . 30 ALA H . 27405 1 330 . 1 1 33 33 ALA HA H 1 3.939 0.014 . 1 . . . . . 30 ALA HA . 27405 1 331 . 1 1 33 33 ALA HB1 H 1 1.081 0.005 . 1 . . . . . 30 ALA HB1 . 27405 1 332 . 1 1 33 33 ALA HB2 H 1 1.081 0.005 . 1 . . . . . 30 ALA HB2 . 27405 1 333 . 1 1 33 33 ALA HB3 H 1 1.081 0.005 . 1 . . . . . 30 ALA HB3 . 27405 1 334 . 1 1 33 33 ALA C C 13 179.708 0.022 . 1 . . . . . 30 ALA C . 27405 1 335 . 1 1 33 33 ALA CA C 13 55.193 0.160 . 1 . . . . . 30 ALA CA . 27405 1 336 . 1 1 33 33 ALA CB C 13 17.818 0.155 . 1 . . . . . 30 ALA CB . 27405 1 337 . 1 1 33 33 ALA N N 15 120.514 0.037 . 1 . . . . . 30 ALA N . 27405 1 338 . 1 1 34 34 LEU H H 1 7.420 0.010 . 1 . . . . . 31 LEU H . 27405 1 339 . 1 1 34 34 LEU HA H 1 3.982 0.011 . 1 . . . . . 31 LEU HA . 27405 1 340 . 1 1 34 34 LEU HB2 H 1 1.752 0.009 . 2 . . . . . 31 LEU HB2 . 27405 1 341 . 1 1 34 34 LEU HB3 H 1 1.500 0.012 . 2 . . . . . 31 LEU HB3 . 27405 1 342 . 1 1 34 34 LEU HG H 1 1.719 0.020 . 1 . . . . . 31 LEU HG . 27405 1 343 . 1 1 34 34 LEU HD11 H 1 0.819 0.007 . 1 . . . . . 31 LEU HD11 . 27405 1 344 . 1 1 34 34 LEU HD12 H 1 0.819 0.007 . 1 . . . . . 31 LEU HD12 . 27405 1 345 . 1 1 34 34 LEU HD13 H 1 0.819 0.007 . 1 . . . . . 31 LEU HD13 . 27405 1 346 . 1 1 34 34 LEU C C 13 178.228 0.015 . 1 . . . . . 31 LEU C . 27405 1 347 . 1 1 34 34 LEU CA C 13 57.461 0.119 . 1 . . . . . 31 LEU CA . 27405 1 348 . 1 1 34 34 LEU CB C 13 42.240 0.169 . 1 . . . . . 31 LEU CB . 27405 1 349 . 1 1 34 34 LEU CD1 C 13 23.412 0.000 . 1 . . . . . 31 LEU CD1 . 27405 1 350 . 1 1 34 34 LEU CD2 C 13 25.126 0.764 . 1 . . . . . 31 LEU CD2 . 27405 1 351 . 1 1 34 34 LEU N N 15 116.332 0.045 . 1 . . . . . 31 LEU N . 27405 1 352 . 1 1 35 35 LYS H H 1 7.133 0.008 . 1 . . . . . 32 LYS H . 27405 1 353 . 1 1 35 35 LYS HA H 1 3.874 0.008 . 1 . . . . . 32 LYS HA . 27405 1 354 . 1 1 35 35 LYS HB2 H 1 1.445 0.006 . 2 . . . . . 32 LYS HB2 . 27405 1 355 . 1 1 35 35 LYS HB3 H 1 1.302 0.012 . 2 . . . . . 32 LYS HB3 . 27405 1 356 . 1 1 35 35 LYS HG2 H 1 1.432 0.023 . 1 . . . . . 32 LYS HG2 . 27405 1 357 . 1 1 35 35 LYS HG3 H 1 1.432 0.027 . 1 . . . . . 32 LYS HG3 . 27405 1 358 . 1 1 35 35 LYS HE2 H 1 2.754 0.008 . 1 . . . . . 32 LYS HE2 . 27405 1 359 . 1 1 35 35 LYS HE3 H 1 2.754 0.008 . 1 . . . . . 32 LYS HE3 . 27405 1 360 . 1 1 35 35 LYS C C 13 177.822 0.019 . 1 . . . . . 32 LYS C . 27405 1 361 . 1 1 35 35 LYS CA C 13 58.244 0.165 . 1 . . . . . 32 LYS CA . 27405 1 362 . 1 1 35 35 LYS CB C 13 33.017 0.084 . 1 . . . . . 32 LYS CB . 27405 1 363 . 1 1 35 35 LYS CG C 13 24.573 0.067 . 1 . . . . . 32 LYS CG . 27405 1 364 . 1 1 35 35 LYS CD C 13 29.100 0.003 . 1 . . . . . 32 LYS CD . 27405 1 365 . 1 1 35 35 LYS CE C 13 42.295 0.050 . 1 . . . . . 32 LYS CE . 27405 1 366 . 1 1 35 35 LYS N N 15 116.404 0.085 . 1 . . . . . 32 LYS N . 27405 1 367 . 1 1 36 36 TYR H H 1 7.777 0.012 . 1 . . . . . 33 TYR H . 27405 1 368 . 1 1 36 36 TYR HA H 1 4.765 0.023 . 1 . . . . . 33 TYR HA . 27405 1 369 . 1 1 36 36 TYR HB2 H 1 3.583 0.008 . 2 . . . . . 33 TYR HB2 . 27405 1 370 . 1 1 36 36 TYR HB3 H 1 2.585 0.009 . 2 . . . . . 33 TYR HB3 . 27405 1 371 . 1 1 36 36 TYR HE1 H 1 6.900 0.003 . 1 . . . . . 33 TYR HE1 . 27405 1 372 . 1 1 36 36 TYR HE2 H 1 6.900 0.003 . 1 . . . . . 33 TYR HE2 . 27405 1 373 . 1 1 36 36 TYR C C 13 174.921 0.018 . 1 . . . . . 33 TYR C . 27405 1 374 . 1 1 36 36 TYR CA C 13 58.228 0.140 . 1 . . . . . 33 TYR CA . 27405 1 375 . 1 1 36 36 TYR CB C 13 39.559 0.179 . 1 . . . . . 33 TYR CB . 27405 1 376 . 1 1 36 36 TYR CE1 C 13 118.169 0.000 . 1 . . . . . 33 TYR CE1 . 27405 1 377 . 1 1 36 36 TYR CE2 C 13 118.169 0.000 . 1 . . . . . 33 TYR CE2 . 27405 1 378 . 1 1 36 36 TYR N N 15 113.105 0.102 . 1 . . . . . 33 TYR N . 27405 1 379 . 1 1 37 37 HIS H H 1 7.604 0.006 . 1 . . . . . 34 HIS H . 27405 1 380 . 1 1 37 37 HIS HA H 1 3.594 0.011 . 1 . . . . . 34 HIS HA . 27405 1 381 . 1 1 37 37 HIS HB2 H 1 2.695 0.014 . 2 . . . . . 34 HIS HB2 . 27405 1 382 . 1 1 37 37 HIS HB3 H 1 3.147 0.004 . 2 . . . . . 34 HIS HB3 . 27405 1 383 . 1 1 37 37 HIS HD2 H 1 6.761 0.000 . 1 . . . . . 34 HIS HD2 . 27405 1 384 . 1 1 37 37 HIS HE1 H 1 7.590 0.000 . 1 . . . . . 34 HIS HE1 . 27405 1 385 . 1 1 37 37 HIS CA C 13 56.899 0.150 . 1 . . . . . 34 HIS CA . 27405 1 386 . 1 1 37 37 HIS CB C 13 31.142 0.170 . 1 . . . . . 34 HIS CB . 27405 1 387 . 1 1 37 37 HIS CD2 C 13 118.136 0.000 . 1 . . . . . 34 HIS CD2 . 27405 1 388 . 1 1 37 37 HIS CE1 C 13 138.934 0.000 . 1 . . . . . 34 HIS CE1 . 27405 1 389 . 1 1 37 37 HIS N N 15 122.795 0.102 . 1 . . . . . 34 HIS N . 27405 1 390 . 1 1 39 39 ASP HA H 1 4.578 0.012 . 1 . . . . . 36 ASP HA . 27405 1 391 . 1 1 39 39 ASP HB2 H 1 2.674 0.010 . 2 . . . . . 36 ASP HB2 . 27405 1 392 . 1 1 39 39 ASP HB3 H 1 2.580 0.004 . 2 . . . . . 36 ASP HB3 . 27405 1 393 . 1 1 39 39 ASP C C 13 175.237 0.011 . 1 . . . . . 36 ASP C . 27405 1 394 . 1 1 39 39 ASP CA C 13 54.548 0.093 . 1 . . . . . 36 ASP CA . 27405 1 395 . 1 1 39 39 ASP CB C 13 40.971 0.169 . 1 . . . . . 36 ASP CB . 27405 1 396 . 1 1 40 40 LYS H H 1 7.666 0.005 . 1 . . . . . 37 LYS H . 27405 1 397 . 1 1 40 40 LYS C C 13 181.508 0.000 . 1 . . . . . 37 LYS C . 27405 1 398 . 1 1 40 40 LYS CA C 13 57.738 0.000 . 1 . . . . . 37 LYS CA . 27405 1 399 . 1 1 40 40 LYS CB C 13 33.677 0.000 . 1 . . . . . 37 LYS CB . 27405 1 400 . 1 1 40 40 LYS N N 15 126.067 0.052 . 1 . . . . . 37 LYS N . 27405 1 401 . 1 1 41 41 PRO HA H 1 4.427 0.014 . 1 . . . . . 38 PRO HA . 27405 1 402 . 1 1 41 41 PRO HB2 H 1 2.007 0.009 . 2 . . . . . 38 PRO HB2 . 27405 1 403 . 1 1 41 41 PRO HB3 H 1 2.423 0.005 . 2 . . . . . 38 PRO HB3 . 27405 1 404 . 1 1 41 41 PRO HG2 H 1 2.114 0.003 . 1 . . . . . 38 PRO HG2 . 27405 1 405 . 1 1 41 41 PRO HG3 H 1 2.108 0.014 . 1 . . . . . 38 PRO HG3 . 27405 1 406 . 1 1 41 41 PRO HD2 H 1 3.892 0.004 . 2 . . . . . 38 PRO HD2 . 27405 1 407 . 1 1 41 41 PRO HD3 H 1 3.803 0.013 . 2 . . . . . 38 PRO HD3 . 27405 1 408 . 1 1 41 41 PRO C C 13 177.681 0.000 . 1 . . . . . 38 PRO C . 27405 1 409 . 1 1 41 41 PRO CA C 13 65.160 0.189 . 1 . . . . . 38 PRO CA . 27405 1 410 . 1 1 41 41 PRO CB C 13 31.965 0.151 . 1 . . . . . 38 PRO CB . 27405 1 411 . 1 1 41 41 PRO CG C 13 27.826 0.202 . 1 . . . . . 38 PRO CG . 27405 1 412 . 1 1 41 41 PRO CD C 13 50.441 0.073 . 1 . . . . . 38 PRO CD . 27405 1 413 . 1 1 42 42 THR H H 1 6.956 0.010 . 1 . . . . . 39 THR H . 27405 1 414 . 1 1 42 42 THR HA H 1 4.381 0.007 . 1 . . . . . 39 THR HA . 27405 1 415 . 1 1 42 42 THR HB H 1 4.523 0.009 . 1 . . . . . 39 THR HB . 27405 1 416 . 1 1 42 42 THR HG21 H 1 1.161 0.010 . 1 . . . . . 39 THR HG21 . 27405 1 417 . 1 1 42 42 THR HG22 H 1 1.161 0.010 . 1 . . . . . 39 THR HG22 . 27405 1 418 . 1 1 42 42 THR HG23 H 1 1.161 0.010 . 1 . . . . . 39 THR HG23 . 27405 1 419 . 1 1 42 42 THR C C 13 174.396 0.017 . 1 . . . . . 39 THR C . 27405 1 420 . 1 1 42 42 THR CA C 13 60.554 0.121 . 1 . . . . . 39 THR CA . 27405 1 421 . 1 1 42 42 THR CB C 13 68.674 0.148 . 1 . . . . . 39 THR CB . 27405 1 422 . 1 1 42 42 THR CG2 C 13 21.433 0.041 . 1 . . . . . 39 THR CG2 . 27405 1 423 . 1 1 42 42 THR N N 15 103.868 0.057 . 1 . . . . . 39 THR N . 27405 1 424 . 1 1 43 43 GLY H H 1 7.838 0.008 . 1 . . . . . 40 GLY H . 27405 1 425 . 1 1 43 43 GLY HA2 H 1 3.795 0.003 . 1 . . . . . 40 GLY HA2 . 27405 1 426 . 1 1 43 43 GLY HA3 H 1 3.794 0.003 . 1 . . . . . 40 GLY HA3 . 27405 1 427 . 1 1 43 43 GLY C C 13 173.267 0.016 . 1 . . . . . 40 GLY C . 27405 1 428 . 1 1 43 43 GLY CA C 13 46.237 0.138 . 1 . . . . . 40 GLY CA . 27405 1 429 . 1 1 43 43 GLY N N 15 109.377 0.057 . 1 . . . . . 40 GLY N . 27405 1 430 . 1 1 44 44 ASP H H 1 8.321 0.005 . 1 . . . . . 41 ASP H . 27405 1 431 . 1 1 44 44 ASP HB2 H 1 2.759 0.007 . 1 . . . . . 41 ASP HB2 . 27405 1 432 . 1 1 44 44 ASP C C 13 175.599 0.000 . 1 . . . . . 41 ASP C . 27405 1 433 . 1 1 44 44 ASP CA C 13 54.307 0.000 . 1 . . . . . 41 ASP CA . 27405 1 434 . 1 1 44 44 ASP CB C 13 43.966 0.011 . 1 . . . . . 41 ASP CB . 27405 1 435 . 1 1 44 44 ASP N N 15 119.367 0.061 . 1 . . . . . 41 ASP N . 27405 1 436 . 1 1 45 45 THR HA H 1 3.862 0.006 . 1 . . . . . 42 THR HA . 27405 1 437 . 1 1 45 45 THR HB H 1 4.194 0.013 . 1 . . . . . 42 THR HB . 27405 1 438 . 1 1 45 45 THR HG21 H 1 1.283 0.004 . 1 . . . . . 42 THR HG21 . 27405 1 439 . 1 1 45 45 THR HG22 H 1 1.283 0.004 . 1 . . . . . 42 THR HG22 . 27405 1 440 . 1 1 45 45 THR HG23 H 1 1.283 0.004 . 1 . . . . . 42 THR HG23 . 27405 1 441 . 1 1 45 45 THR C C 13 176.206 0.000 . 1 . . . . . 42 THR C . 27405 1 442 . 1 1 45 45 THR CA C 13 66.694 0.206 . 1 . . . . . 42 THR CA . 27405 1 443 . 1 1 45 45 THR CB C 13 68.866 0.238 . 1 . . . . . 42 THR CB . 27405 1 444 . 1 1 45 45 THR CG2 C 13 22.096 0.020 . 1 . . . . . 42 THR CG2 . 27405 1 445 . 1 1 46 46 GLU H H 1 8.169 0.006 . 1 . . . . . 43 GLU H . 27405 1 446 . 1 1 46 46 GLU HA H 1 4.083 0.009 . 1 . . . . . 43 GLU HA . 27405 1 447 . 1 1 46 46 GLU HB2 H 1 2.085 0.003 . 1 . . . . . 43 GLU HB2 . 27405 1 448 . 1 1 46 46 GLU HB3 H 1 2.083 0.004 . 1 . . . . . 43 GLU HB3 . 27405 1 449 . 1 1 46 46 GLU HG2 H 1 2.300 0.010 . 1 . . . . . 43 GLU HG2 . 27405 1 450 . 1 1 46 46 GLU HG3 H 1 2.302 0.010 . 1 . . . . . 43 GLU HG3 . 27405 1 451 . 1 1 46 46 GLU C C 13 179.483 0.017 . 1 . . . . . 43 GLU C . 27405 1 452 . 1 1 46 46 GLU CA C 13 59.446 0.016 . 1 . . . . . 43 GLU CA . 27405 1 453 . 1 1 46 46 GLU CB C 13 29.202 0.174 . 1 . . . . . 43 GLU CB . 27405 1 454 . 1 1 46 46 GLU CG C 13 36.419 0.142 . 1 . . . . . 43 GLU CG . 27405 1 455 . 1 1 46 46 GLU N N 15 121.775 0.067 . 1 . . . . . 43 GLU N . 27405 1 456 . 1 1 47 47 LYS H H 1 8.259 0.011 . 1 . . . . . 44 LYS H . 27405 1 457 . 1 1 47 47 LYS HA H 1 3.984 0.011 . 1 . . . . . 44 LYS HA . 27405 1 458 . 1 1 47 47 LYS HB2 H 1 1.397 0.009 . 2 . . . . . 44 LYS HB2 . 27405 1 459 . 1 1 47 47 LYS HB3 H 1 1.028 0.031 . 2 . . . . . 44 LYS HB3 . 27405 1 460 . 1 1 47 47 LYS HG2 H 1 1.117 0.002 . 1 . . . . . 44 LYS HG2 . 27405 1 461 . 1 1 47 47 LYS HG3 H 1 1.117 0.002 . 1 . . . . . 44 LYS HG3 . 27405 1 462 . 1 1 47 47 LYS HD2 H 1 1.242 0.008 . 1 . . . . . 44 LYS HD2 . 27405 1 463 . 1 1 47 47 LYS HD3 H 1 1.240 0.009 . 1 . . . . . 44 LYS HD3 . 27405 1 464 . 1 1 47 47 LYS HE2 H 1 2.743 0.008 . 1 . . . . . 44 LYS HE2 . 27405 1 465 . 1 1 47 47 LYS HE3 H 1 2.745 0.009 . 1 . . . . . 44 LYS HE3 . 27405 1 466 . 1 1 47 47 LYS C C 13 179.104 0.012 . 1 . . . . . 44 LYS C . 27405 1 467 . 1 1 47 47 LYS CA C 13 58.359 0.178 . 1 . . . . . 44 LYS CA . 27405 1 468 . 1 1 47 47 LYS CB C 13 31.626 0.153 . 1 . . . . . 44 LYS CB . 27405 1 469 . 1 1 47 47 LYS CG C 13 24.599 0.031 . 1 . . . . . 44 LYS CG . 27405 1 470 . 1 1 47 47 LYS CD C 13 28.262 0.077 . 1 . . . . . 44 LYS CD . 27405 1 471 . 1 1 47 47 LYS CE C 13 42.160 0.175 . 1 . . . . . 44 LYS CE . 27405 1 472 . 1 1 47 47 LYS N N 15 121.079 0.127 . 1 . . . . . 44 LYS N . 27405 1 473 . 1 1 48 48 PHE H H 1 8.752 0.013 . 1 . . . . . 45 PHE H . 27405 1 474 . 1 1 48 48 PHE HA H 1 4.081 0.012 . 1 . . . . . 45 PHE HA . 27405 1 475 . 1 1 48 48 PHE HB2 H 1 3.350 0.015 . 2 . . . . . 45 PHE HB2 . 27405 1 476 . 1 1 48 48 PHE HB3 H 1 3.008 0.008 . 2 . . . . . 45 PHE HB3 . 27405 1 477 . 1 1 48 48 PHE HD1 H 1 7.104 0.020 . 1 . . . . . 45 PHE HD1 . 27405 1 478 . 1 1 48 48 PHE HD2 H 1 7.104 0.020 . 1 . . . . . 45 PHE HD2 . 27405 1 479 . 1 1 48 48 PHE HE1 H 1 7.297 0.000 . 1 . . . . . 45 PHE HE1 . 27405 1 480 . 1 1 48 48 PHE HE2 H 1 7.297 0.000 . 1 . . . . . 45 PHE HE2 . 27405 1 481 . 1 1 48 48 PHE C C 13 178.447 0.008 . 1 . . . . . 45 PHE C . 27405 1 482 . 1 1 48 48 PHE CA C 13 62.030 0.154 . 1 . . . . . 45 PHE CA . 27405 1 483 . 1 1 48 48 PHE CB C 13 39.145 0.201 . 1 . . . . . 45 PHE CB . 27405 1 484 . 1 1 48 48 PHE CD1 C 13 131.641 0.000 . 1 . . . . . 45 PHE CD1 . 27405 1 485 . 1 1 48 48 PHE CD2 C 13 131.641 0.000 . 1 . . . . . 45 PHE CD2 . 27405 1 486 . 1 1 48 48 PHE N N 15 118.792 0.059 . 1 . . . . . 45 PHE N . 27405 1 487 . 1 1 49 49 LYS H H 1 8.084 0.010 . 1 . . . . . 46 LYS H . 27405 1 488 . 1 1 49 49 LYS HA H 1 3.934 0.007 . 1 . . . . . 46 LYS HA . 27405 1 489 . 1 1 49 49 LYS HB2 H 1 1.982 0.015 . 1 . . . . . 46 LYS HB2 . 27405 1 490 . 1 1 49 49 LYS C C 13 179.093 0.012 . 1 . . . . . 46 LYS C . 27405 1 491 . 1 1 49 49 LYS CA C 13 59.955 0.168 . 1 . . . . . 46 LYS CA . 27405 1 492 . 1 1 49 49 LYS CB C 13 32.084 0.117 . 1 . . . . . 46 LYS CB . 27405 1 493 . 1 1 49 49 LYS N N 15 121.297 0.161 . 1 . . . . . 46 LYS N . 27405 1 494 . 1 1 50 50 GLU H H 1 7.746 0.019 . 1 . . . . . 47 GLU H . 27405 1 495 . 1 1 50 50 GLU HA H 1 4.091 0.009 . 1 . . . . . 47 GLU HA . 27405 1 496 . 1 1 50 50 GLU HB2 H 1 2.087 0.004 . 1 . . . . . 47 GLU HB2 . 27405 1 497 . 1 1 50 50 GLU HB3 H 1 2.089 0.001 . 1 . . . . . 47 GLU HB3 . 27405 1 498 . 1 1 50 50 GLU HG2 H 1 0.827 0.000 . 1 . . . . . 47 GLU HG2 . 27405 1 499 . 1 1 50 50 GLU HG3 H 1 2.088 0.002 . 1 . . . . . 47 GLU HG3 . 27405 1 500 . 1 1 50 50 GLU C C 13 180.053 0.016 . 1 . . . . . 47 GLU C . 27405 1 501 . 1 1 50 50 GLU CA C 13 59.885 0.118 . 1 . . . . . 47 GLU CA . 27405 1 502 . 1 1 50 50 GLU CB C 13 30.026 0.103 . 1 . . . . . 47 GLU CB . 27405 1 503 . 1 1 50 50 GLU CG C 13 36.587 0.016 . 1 . . . . . 47 GLU CG . 27405 1 504 . 1 1 50 50 GLU N N 15 120.170 0.100 . 1 . . . . . 47 GLU N . 27405 1 505 . 1 1 51 51 ILE H H 1 8.224 0.013 . 1 . . . . . 48 ILE H . 27405 1 506 . 1 1 51 51 ILE HA H 1 3.714 0.010 . 1 . . . . . 48 ILE HA . 27405 1 507 . 1 1 51 51 ILE HB H 1 1.840 0.012 . 1 . . . . . 48 ILE HB . 27405 1 508 . 1 1 51 51 ILE HG12 H 1 1.267 0.008 . 2 . . . . . 48 ILE HG12 . 27405 1 509 . 1 1 51 51 ILE HG13 H 1 1.760 0.012 . 2 . . . . . 48 ILE HG13 . 27405 1 510 . 1 1 51 51 ILE HG21 H 1 0.973 0.015 . 1 . . . . . 48 ILE HG21 . 27405 1 511 . 1 1 51 51 ILE HG22 H 1 0.973 0.015 . 1 . . . . . 48 ILE HG22 . 27405 1 512 . 1 1 51 51 ILE HG23 H 1 0.973 0.015 . 1 . . . . . 48 ILE HG23 . 27405 1 513 . 1 1 51 51 ILE HD11 H 1 0.810 0.014 . 1 . . . . . 48 ILE HD11 . 27405 1 514 . 1 1 51 51 ILE HD12 H 1 0.810 0.014 . 1 . . . . . 48 ILE HD12 . 27405 1 515 . 1 1 51 51 ILE HD13 H 1 0.810 0.014 . 1 . . . . . 48 ILE HD13 . 27405 1 516 . 1 1 51 51 ILE C C 13 177.342 0.017 . 1 . . . . . 48 ILE C . 27405 1 517 . 1 1 51 51 ILE CA C 13 64.802 0.155 . 1 . . . . . 48 ILE CA . 27405 1 518 . 1 1 51 51 ILE CB C 13 38.499 0.178 . 1 . . . . . 48 ILE CB . 27405 1 519 . 1 1 51 51 ILE CG1 C 13 29.141 0.169 . 1 . . . . . 48 ILE CG1 . 27405 1 520 . 1 1 51 51 ILE CG2 C 13 19.392 0.206 . 1 . . . . . 48 ILE CG2 . 27405 1 521 . 1 1 51 51 ILE CD1 C 13 15.413 0.161 . 1 . . . . . 48 ILE CD1 . 27405 1 522 . 1 1 51 51 ILE N N 15 118.189 0.049 . 1 . . . . . 48 ILE N . 27405 1 523 . 1 1 52 52 SER H H 1 8.031 0.007 . 1 . . . . . 49 SER H . 27405 1 524 . 1 1 52 52 SER HA H 1 3.862 0.006 . 1 . . . . . 49 SER HA . 27405 1 525 . 1 1 52 52 SER HB2 H 1 3.771 0.001 . 1 . . . . . 49 SER HB2 . 27405 1 526 . 1 1 52 52 SER HB3 H 1 3.761 0.017 . 1 . . . . . 49 SER HB3 . 27405 1 527 . 1 1 52 52 SER C C 13 175.973 0.000 . 1 . . . . . 49 SER C . 27405 1 528 . 1 1 52 52 SER CA C 13 62.451 0.146 . 1 . . . . . 49 SER CA . 27405 1 529 . 1 1 52 52 SER CB C 13 63.982 0.000 . 1 . . . . . 49 SER CB . 27405 1 530 . 1 1 52 52 SER N N 15 117.163 0.058 . 1 . . . . . 49 SER N . 27405 1 531 . 1 1 53 53 GLU H H 1 7.938 0.007 . 1 . . . . . 50 GLU H . 27405 1 532 . 1 1 53 53 GLU HA H 1 3.933 0.007 . 1 . . . . . 50 GLU HA . 27405 1 533 . 1 1 53 53 GLU HB2 H 1 1.979 0.017 . 1 . . . . . 50 GLU HB2 . 27405 1 534 . 1 1 53 53 GLU HB3 H 1 1.976 0.015 . 1 . . . . . 50 GLU HB3 . 27405 1 535 . 1 1 53 53 GLU HG2 H 1 1.962 0.009 . 1 . . . . . 50 GLU HG2 . 27405 1 536 . 1 1 53 53 GLU HG3 H 1 1.961 0.009 . 1 . . . . . 50 GLU HG3 . 27405 1 537 . 1 1 53 53 GLU C C 13 177.247 0.016 . 1 . . . . . 50 GLU C . 27405 1 538 . 1 1 53 53 GLU CA C 13 59.029 0.026 . 1 . . . . . 50 GLU CA . 27405 1 539 . 1 1 53 53 GLU CB C 13 29.300 0.063 . 1 . . . . . 50 GLU CB . 27405 1 540 . 1 1 53 53 GLU CG C 13 36.625 0.226 . 1 . . . . . 50 GLU CG . 27405 1 541 . 1 1 53 53 GLU N N 15 122.993 0.059 . 1 . . . . . 50 GLU N . 27405 1 542 . 1 1 54 54 ALA H H 1 7.787 0.007 . 1 . . . . . 51 ALA H . 27405 1 543 . 1 1 54 54 ALA HA H 1 3.727 0.015 . 1 . . . . . 51 ALA HA . 27405 1 544 . 1 1 54 54 ALA HB1 H 1 1.455 0.012 . 1 . . . . . 51 ALA HB1 . 27405 1 545 . 1 1 54 54 ALA HB2 H 1 1.455 0.012 . 1 . . . . . 51 ALA HB2 . 27405 1 546 . 1 1 54 54 ALA HB3 H 1 1.455 0.012 . 1 . . . . . 51 ALA HB3 . 27405 1 547 . 1 1 54 54 ALA C C 13 178.258 0.012 . 1 . . . . . 51 ALA C . 27405 1 548 . 1 1 54 54 ALA CA C 13 55.248 0.162 . 1 . . . . . 51 ALA CA . 27405 1 549 . 1 1 54 54 ALA CB C 13 18.981 0.164 . 1 . . . . . 51 ALA CB . 27405 1 550 . 1 1 54 54 ALA N N 15 119.713 0.066 . 1 . . . . . 51 ALA N . 27405 1 551 . 1 1 55 55 PHE H H 1 7.892 0.006 . 1 . . . . . 52 PHE H . 27405 1 552 . 1 1 55 55 PHE HA H 1 3.757 0.024 . 1 . . . . . 52 PHE HA . 27405 1 553 . 1 1 55 55 PHE HB2 H 1 2.671 0.007 . 2 . . . . . 52 PHE HB2 . 27405 1 554 . 1 1 55 55 PHE HB3 H 1 2.478 0.007 . 2 . . . . . 52 PHE HB3 . 27405 1 555 . 1 1 55 55 PHE HD1 H 1 6.665 0.026 . 1 . . . . . 52 PHE HD1 . 27405 1 556 . 1 1 55 55 PHE HD2 H 1 6.665 0.026 . 1 . . . . . 52 PHE HD2 . 27405 1 557 . 1 1 55 55 PHE C C 13 175.447 0.010 . 1 . . . . . 52 PHE C . 27405 1 558 . 1 1 55 55 PHE CA C 13 61.724 0.283 . 1 . . . . . 52 PHE CA . 27405 1 559 . 1 1 55 55 PHE CB C 13 39.831 0.214 . 1 . . . . . 52 PHE CB . 27405 1 560 . 1 1 55 55 PHE CD1 C 13 131.248 0.000 . 1 . . . . . 52 PHE CD1 . 27405 1 561 . 1 1 55 55 PHE CD2 C 13 131.248 0.000 . 1 . . . . . 52 PHE CD2 . 27405 1 562 . 1 1 55 55 PHE N N 15 114.435 1.776 . 1 . . . . . 52 PHE N . 27405 1 563 . 1 1 56 56 GLU H H 1 7.921 0.015 . 1 . . . . . 53 GLU H . 27405 1 564 . 1 1 56 56 GLU HA H 1 3.498 0.012 . 1 . . . . . 53 GLU HA . 27405 1 565 . 1 1 56 56 GLU HB2 H 1 1.984 0.016 . 1 . . . . . 53 GLU HB2 . 27405 1 566 . 1 1 56 56 GLU HB3 H 1 1.984 0.014 . 1 . . . . . 53 GLU HB3 . 27405 1 567 . 1 1 56 56 GLU HG2 H 1 2.173 0.006 . 1 . . . . . 53 GLU HG2 . 27405 1 568 . 1 1 56 56 GLU HG3 H 1 2.176 0.007 . 1 . . . . . 53 GLU HG3 . 27405 1 569 . 1 1 56 56 GLU C C 13 179.422 0.023 . 1 . . . . . 53 GLU C . 27405 1 570 . 1 1 56 56 GLU CA C 13 59.333 0.128 . 1 . . . . . 53 GLU CA . 27405 1 571 . 1 1 56 56 GLU CB C 13 29.425 0.123 . 1 . . . . . 53 GLU CB . 27405 1 572 . 1 1 56 56 GLU CG C 13 36.522 0.171 . 1 . . . . . 53 GLU CG . 27405 1 573 . 1 1 56 56 GLU N N 15 117.841 0.078 . 1 . . . . . 53 GLU N . 27405 1 574 . 1 1 57 57 ILE H H 1 7.771 0.011 . 1 . . . . . 54 ILE H . 27405 1 575 . 1 1 57 57 ILE HA H 1 3.441 0.012 . 1 . . . . . 54 ILE HA . 27405 1 576 . 1 1 57 57 ILE HB H 1 1.382 0.010 . 1 . . . . . 54 ILE HB . 27405 1 577 . 1 1 57 57 ILE HG12 H 1 0.749 0.013 . 1 . . . . . 54 ILE HG12 . 27405 1 578 . 1 1 57 57 ILE HG13 H 1 1.395 0.000 . 2 . . . . . 54 ILE HG13 . 27405 1 579 . 1 1 57 57 ILE HG21 H 1 0.267 0.011 . 1 . . . . . 54 ILE HG21 . 27405 1 580 . 1 1 57 57 ILE HG22 H 1 0.267 0.011 . 1 . . . . . 54 ILE HG22 . 27405 1 581 . 1 1 57 57 ILE HG23 H 1 0.267 0.011 . 1 . . . . . 54 ILE HG23 . 27405 1 582 . 1 1 57 57 ILE HD11 H 1 0.538 0.009 . 1 . . . . . 54 ILE HD11 . 27405 1 583 . 1 1 57 57 ILE HD12 H 1 0.538 0.009 . 1 . . . . . 54 ILE HD12 . 27405 1 584 . 1 1 57 57 ILE HD13 H 1 0.538 0.009 . 1 . . . . . 54 ILE HD13 . 27405 1 585 . 1 1 57 57 ILE C C 13 175.742 0.012 . 1 . . . . . 54 ILE C . 27405 1 586 . 1 1 57 57 ILE CA C 13 64.920 0.160 . 1 . . . . . 54 ILE CA . 27405 1 587 . 1 1 57 57 ILE CB C 13 37.893 0.203 . 1 . . . . . 54 ILE CB . 27405 1 588 . 1 1 57 57 ILE CG1 C 13 29.846 0.164 . 1 . . . . . 54 ILE CG1 . 27405 1 589 . 1 1 57 57 ILE CG2 C 13 17.079 0.191 . 1 . . . . . 54 ILE CG2 . 27405 1 590 . 1 1 57 57 ILE CD1 C 13 13.611 0.170 . 1 . . . . . 54 ILE CD1 . 27405 1 591 . 1 1 57 57 ILE N N 15 117.025 0.057 . 1 . . . . . 54 ILE N . 27405 1 592 . 1 1 58 58 LEU H H 1 7.596 0.005 . 1 . . . . . 55 LEU H . 27405 1 593 . 1 1 58 58 LEU HA H 1 3.594 0.011 . 1 . . . . . 55 LEU HA . 27405 1 594 . 1 1 58 58 LEU HB2 H 1 0.987 0.009 . 2 . . . . . 55 LEU HB2 . 27405 1 595 . 1 1 58 58 LEU HB3 H 1 1.447 0.005 . 2 . . . . . 55 LEU HB3 . 27405 1 596 . 1 1 58 58 LEU HG H 1 0.027 0.001 . 1 . . . . . 55 LEU HG . 27405 1 597 . 1 1 58 58 LEU HD11 H 1 0.174 0.010 . 1 . . . . . 55 LEU HD11 . 27405 1 598 . 1 1 58 58 LEU HD12 H 1 0.174 0.010 . 1 . . . . . 55 LEU HD12 . 27405 1 599 . 1 1 58 58 LEU HD13 H 1 0.174 0.010 . 1 . . . . . 55 LEU HD13 . 27405 1 600 . 1 1 58 58 LEU HD21 H 1 0.179 0.004 . 1 . . . . . 55 LEU HD21 . 27405 1 601 . 1 1 58 58 LEU HD22 H 1 0.179 0.004 . 1 . . . . . 55 LEU HD22 . 27405 1 602 . 1 1 58 58 LEU HD23 H 1 0.179 0.004 . 1 . . . . . 55 LEU HD23 . 27405 1 603 . 1 1 58 58 LEU C C 13 177.196 0.007 . 1 . . . . . 55 LEU C . 27405 1 604 . 1 1 58 58 LEU CA C 13 56.742 0.164 . 1 . . . . . 55 LEU CA . 27405 1 605 . 1 1 58 58 LEU CB C 13 42.411 0.139 . 1 . . . . . 55 LEU CB . 27405 1 606 . 1 1 58 58 LEU CG C 13 25.160 0.007 . 1 . . . . . 55 LEU CG . 27405 1 607 . 1 1 58 58 LEU CD1 C 13 23.941 1.242 . 1 . . . . . 55 LEU CD1 . 27405 1 608 . 1 1 58 58 LEU CD2 C 13 22.819 0.189 . 1 . . . . . 55 LEU CD2 . 27405 1 609 . 1 1 58 58 LEU N N 15 112.446 0.052 . 1 . . . . . 55 LEU N . 27405 1 610 . 1 1 59 59 ASN H H 1 8.117 0.008 . 1 . . . . . 56 ASN H . 27405 1 611 . 1 1 59 59 ASN HA H 1 4.198 0.004 . 1 . . . . . 56 ASN HA . 27405 1 612 . 1 1 59 59 ASN HB2 H 1 1.840 0.006 . 2 . . . . . 56 ASN HB2 . 27405 1 613 . 1 1 59 59 ASN HB3 H 1 1.251 0.005 . 2 . . . . . 56 ASN HB3 . 27405 1 614 . 1 1 59 59 ASN HD21 H 1 6.997 0.004 . 1 . . . . . 56 ASN HD21 . 27405 1 615 . 1 1 59 59 ASN HD22 H 1 6.357 0.004 . 1 . . . . . 56 ASN HD22 . 27405 1 616 . 1 1 59 59 ASN C C 13 173.982 0.013 . 1 . . . . . 56 ASN C . 27405 1 617 . 1 1 59 59 ASN CA C 13 53.253 0.147 . 1 . . . . . 56 ASN CA . 27405 1 618 . 1 1 59 59 ASN CB C 13 39.478 0.192 . 1 . . . . . 56 ASN CB . 27405 1 619 . 1 1 59 59 ASN N N 15 113.133 0.043 . 1 . . . . . 56 ASN N . 27405 1 620 . 1 1 59 59 ASN ND2 N 15 113.005 0.097 . 1 . . . . . 56 ASN ND2 . 27405 1 621 . 1 1 60 60 ASP H H 1 6.920 0.009 . 1 . . . . . 57 ASP H . 27405 1 622 . 1 1 60 60 ASP C C 13 173.755 0.000 . 1 . . . . . 57 ASP C . 27405 1 623 . 1 1 60 60 ASP CA C 13 50.146 0.000 . 1 . . . . . 57 ASP CA . 27405 1 624 . 1 1 60 60 ASP CB C 13 42.594 0.000 . 1 . . . . . 57 ASP CB . 27405 1 625 . 1 1 60 60 ASP N N 15 120.550 0.089 . 1 . . . . . 57 ASP N . 27405 1 626 . 1 1 61 61 PRO HA H 1 4.139 0.013 . 1 . . . . . 58 PRO HA . 27405 1 627 . 1 1 61 61 PRO HB2 H 1 2.377 0.010 . 2 . . . . . 58 PRO HB2 . 27405 1 628 . 1 1 61 61 PRO HB3 H 1 1.958 0.015 . 2 . . . . . 58 PRO HB3 . 27405 1 629 . 1 1 61 61 PRO HG2 H 1 2.121 0.014 . 1 . . . . . 58 PRO HG2 . 27405 1 630 . 1 1 61 61 PRO HG3 H 1 2.124 0.014 . 1 . . . . . 58 PRO HG3 . 27405 1 631 . 1 1 61 61 PRO HD2 H 1 3.787 0.010 . 2 . . . . . 58 PRO HD2 . 27405 1 632 . 1 1 61 61 PRO HD3 H 1 4.019 0.013 . 2 . . . . . 58 PRO HD3 . 27405 1 633 . 1 1 61 61 PRO C C 13 179.563 0.000 . 1 . . . . . 58 PRO C . 27405 1 634 . 1 1 61 61 PRO CA C 13 65.538 0.153 . 1 . . . . . 58 PRO CA . 27405 1 635 . 1 1 61 61 PRO CB C 13 32.378 0.120 . 1 . . . . . 58 PRO CB . 27405 1 636 . 1 1 61 61 PRO CG C 13 27.910 0.094 . 1 . . . . . 58 PRO CG . 27405 1 637 . 1 1 61 61 PRO CD C 13 50.552 0.129 . 1 . . . . . 58 PRO CD . 27405 1 638 . 1 1 62 62 GLN H H 1 7.838 0.006 . 1 . . . . . 59 GLN H . 27405 1 639 . 1 1 62 62 GLN HA H 1 4.225 0.011 . 1 . . . . . 59 GLN HA . 27405 1 640 . 1 1 62 62 GLN HB2 H 1 2.128 0.014 . 2 . . . . . 59 GLN HB2 . 27405 1 641 . 1 1 62 62 GLN HB3 H 1 2.161 0.010 . 2 . . . . . 59 GLN HB3 . 27405 1 642 . 1 1 62 62 GLN HG2 H 1 2.368 0.027 . 2 . . . . . 59 GLN HG2 . 27405 1 643 . 1 1 62 62 GLN HG3 H 1 2.387 0.012 . 1 . . . . . 59 GLN HG3 . 27405 1 644 . 1 1 62 62 GLN C C 13 179.020 0.019 . 1 . . . . . 59 GLN C . 27405 1 645 . 1 1 62 62 GLN CA C 13 59.019 0.116 . 1 . . . . . 59 GLN CA . 27405 1 646 . 1 1 62 62 GLN CB C 13 28.983 0.125 . 1 . . . . . 59 GLN CB . 27405 1 647 . 1 1 62 62 GLN CG C 13 34.848 0.125 . 1 . . . . . 59 GLN CG . 27405 1 648 . 1 1 62 62 GLN N N 15 115.792 0.050 . 1 . . . . . 59 GLN N . 27405 1 649 . 1 1 63 63 LYS H H 1 7.931 0.008 . 1 . . . . . 60 LYS H . 27405 1 650 . 1 1 63 63 LYS HA H 1 4.018 0.006 . 1 . . . . . 60 LYS HA . 27405 1 651 . 1 1 63 63 LYS HB2 H 1 2.387 0.007 . 2 . . . . . 60 LYS HB2 . 27405 1 652 . 1 1 63 63 LYS HB3 H 1 1.720 0.008 . 2 . . . . . 60 LYS HB3 . 27405 1 653 . 1 1 63 63 LYS HG2 H 1 1.398 0.006 . 1 . . . . . 60 LYS HG2 . 27405 1 654 . 1 1 63 63 LYS HG3 H 1 1.397 0.009 . 1 . . . . . 60 LYS HG3 . 27405 1 655 . 1 1 63 63 LYS HD2 H 1 1.565 0.000 . 1 . . . . . 60 LYS HD2 . 27405 1 656 . 1 1 63 63 LYS HD3 H 1 1.565 0.000 . 1 . . . . . 60 LYS HD3 . 27405 1 657 . 1 1 63 63 LYS C C 13 178.592 0.015 . 1 . . . . . 60 LYS C . 27405 1 658 . 1 1 63 63 LYS CA C 13 59.901 0.115 . 1 . . . . . 60 LYS CA . 27405 1 659 . 1 1 63 63 LYS CB C 13 33.085 0.138 . 1 . . . . . 60 LYS CB . 27405 1 660 . 1 1 63 63 LYS CG C 13 25.967 0.026 . 1 . . . . . 60 LYS CG . 27405 1 661 . 1 1 63 63 LYS CD C 13 29.841 0.000 . 1 . . . . . 60 LYS CD . 27405 1 662 . 1 1 63 63 LYS CE C 13 42.377 0.000 . 1 . . . . . 60 LYS CE . 27405 1 663 . 1 1 63 63 LYS N N 15 120.998 0.080 . 1 . . . . . 60 LYS N . 27405 1 664 . 1 1 64 64 ARG H H 1 9.243 0.010 . 1 . . . . . 61 ARG H . 27405 1 665 . 1 1 64 64 ARG HA H 1 3.642 0.012 . 1 . . . . . 61 ARG HA . 27405 1 666 . 1 1 64 64 ARG HB2 H 1 1.091 0.000 . 2 . . . . . 61 ARG HB2 . 27405 1 667 . 1 1 64 64 ARG HB3 H 1 2.192 0.014 . 2 . . . . . 61 ARG HB3 . 27405 1 668 . 1 1 64 64 ARG HG2 H 1 1.744 0.017 . 1 . . . . . 61 ARG HG2 . 27405 1 669 . 1 1 64 64 ARG HG3 H 1 1.754 0.016 . 1 . . . . . 61 ARG HG3 . 27405 1 670 . 1 1 64 64 ARG C C 13 177.545 0.000 . 1 . . . . . 61 ARG C . 27405 1 671 . 1 1 64 64 ARG CA C 13 60.441 0.144 . 1 . . . . . 61 ARG CA . 27405 1 672 . 1 1 64 64 ARG CB C 13 29.902 0.075 . 1 . . . . . 61 ARG CB . 27405 1 673 . 1 1 64 64 ARG CG C 13 26.606 0.174 . 1 . . . . . 61 ARG CG . 27405 1 674 . 1 1 64 64 ARG CD C 13 44.082 0.000 . 1 . . . . . 61 ARG CD . 27405 1 675 . 1 1 64 64 ARG N N 15 121.995 0.073 . 1 . . . . . 61 ARG N . 27405 1 676 . 1 1 65 65 GLU H H 1 7.381 0.008 . 1 . . . . . 62 GLU H . 27405 1 677 . 1 1 65 65 GLU HA H 1 4.162 0.010 . 1 . . . . . 62 GLU HA . 27405 1 678 . 1 1 65 65 GLU HB2 H 1 2.130 0.021 . 1 . . . . . 62 GLU HB2 . 27405 1 679 . 1 1 65 65 GLU HB3 H 1 2.131 0.019 . 1 . . . . . 62 GLU HB3 . 27405 1 680 . 1 1 65 65 GLU HG2 H 1 2.142 0.012 . 1 . . . . . 62 GLU HG2 . 27405 1 681 . 1 1 65 65 GLU HG3 H 1 2.146 0.011 . 1 . . . . . 62 GLU HG3 . 27405 1 682 . 1 1 65 65 GLU C C 13 179.609 0.017 . 1 . . . . . 62 GLU C . 27405 1 683 . 1 1 65 65 GLU CA C 13 59.701 0.147 . 1 . . . . . 62 GLU CA . 27405 1 684 . 1 1 65 65 GLU CB C 13 29.769 0.128 . 1 . . . . . 62 GLU CB . 27405 1 685 . 1 1 65 65 GLU CG C 13 36.275 0.002 . 1 . . . . . 62 GLU CG . 27405 1 686 . 1 1 65 65 GLU N N 15 116.984 0.031 . 1 . . . . . 62 GLU N . 27405 1 687 . 1 1 66 66 ILE H H 1 7.379 0.013 . 1 . . . . . 63 ILE H . 27405 1 688 . 1 1 66 66 ILE HA H 1 3.903 0.012 . 1 . . . . . 63 ILE HA . 27405 1 689 . 1 1 66 66 ILE HB H 1 1.994 0.016 . 1 . . . . . 63 ILE HB . 27405 1 690 . 1 1 66 66 ILE HG12 H 1 1.455 0.000 . 1 . . . . . 63 ILE HG12 . 27405 1 691 . 1 1 66 66 ILE HG13 H 1 1.455 0.000 . 1 . . . . . 63 ILE HG13 . 27405 1 692 . 1 1 66 66 ILE HG21 H 1 0.834 0.010 . 1 . . . . . 63 ILE HG21 . 27405 1 693 . 1 1 66 66 ILE HG22 H 1 0.834 0.010 . 1 . . . . . 63 ILE HG22 . 27405 1 694 . 1 1 66 66 ILE HG23 H 1 0.834 0.010 . 1 . . . . . 63 ILE HG23 . 27405 1 695 . 1 1 66 66 ILE HD11 H 1 0.818 0.004 . 1 . . . . . 63 ILE HD11 . 27405 1 696 . 1 1 66 66 ILE HD12 H 1 0.818 0.004 . 1 . . . . . 63 ILE HD12 . 27405 1 697 . 1 1 66 66 ILE HD13 H 1 0.818 0.004 . 1 . . . . . 63 ILE HD13 . 27405 1 698 . 1 1 66 66 ILE C C 13 178.114 0.029 . 1 . . . . . 63 ILE C . 27405 1 699 . 1 1 66 66 ILE CA C 13 64.634 0.117 . 1 . . . . . 63 ILE CA . 27405 1 700 . 1 1 66 66 ILE CB C 13 38.076 0.153 . 1 . . . . . 63 ILE CB . 27405 1 701 . 1 1 66 66 ILE CG1 C 13 28.336 0.121 . 1 . . . . . 63 ILE CG1 . 27405 1 702 . 1 1 66 66 ILE CG2 C 13 17.811 0.222 . 1 . . . . . 63 ILE CG2 . 27405 1 703 . 1 1 66 66 ILE CD1 C 13 12.741 0.135 . 1 . . . . . 63 ILE CD1 . 27405 1 704 . 1 1 66 66 ILE N N 15 118.763 0.052 . 1 . . . . . 63 ILE N . 27405 1 705 . 1 1 67 67 TYR H H 1 9.102 0.007 . 1 . . . . . 64 TYR H . 27405 1 706 . 1 1 67 67 TYR HA H 1 4.100 0.016 . 1 . . . . . 64 TYR HA . 27405 1 707 . 1 1 67 67 TYR HB2 H 1 3.098 0.010 . 2 . . . . . 64 TYR HB2 . 27405 1 708 . 1 1 67 67 TYR HB3 H 1 2.743 0.009 . 2 . . . . . 64 TYR HB3 . 27405 1 709 . 1 1 67 67 TYR HD1 H 1 6.941 0.016 . 1 . . . . . 64 TYR HD1 . 27405 1 710 . 1 1 67 67 TYR HD2 H 1 6.941 0.016 . 1 . . . . . 64 TYR HD2 . 27405 1 711 . 1 1 67 67 TYR HE1 H 1 6.817 0.006 . 1 . . . . . 64 TYR HE1 . 27405 1 712 . 1 1 67 67 TYR HE2 H 1 6.817 0.006 . 1 . . . . . 64 TYR HE2 . 27405 1 713 . 1 1 67 67 TYR C C 13 179.340 0.045 . 1 . . . . . 64 TYR C . 27405 1 714 . 1 1 67 67 TYR CA C 13 61.662 0.217 . 1 . . . . . 64 TYR CA . 27405 1 715 . 1 1 67 67 TYR CB C 13 38.338 0.185 . 1 . . . . . 64 TYR CB . 27405 1 716 . 1 1 67 67 TYR N N 15 121.657 0.048 . 1 . . . . . 64 TYR N . 27405 1 717 . 1 1 68 68 ASP H H 1 9.253 0.008 . 1 . . . . . 65 ASP H . 27405 1 718 . 1 1 68 68 ASP HA H 1 4.596 0.014 . 1 . . . . . 65 ASP HA . 27405 1 719 . 1 1 68 68 ASP HB2 H 1 2.630 0.026 . 2 . . . . . 65 ASP HB2 . 27405 1 720 . 1 1 68 68 ASP HB3 H 1 2.741 0.034 . 2 . . . . . 65 ASP HB3 . 27405 1 721 . 1 1 68 68 ASP C C 13 177.554 0.002 . 1 . . . . . 65 ASP C . 27405 1 722 . 1 1 68 68 ASP CA C 13 56.931 0.127 . 1 . . . . . 65 ASP CA . 27405 1 723 . 1 1 68 68 ASP CB C 13 40.598 0.227 . 1 . . . . . 65 ASP CB . 27405 1 724 . 1 1 68 68 ASP N N 15 122.088 0.078 . 1 . . . . . 65 ASP N . 27405 1 725 . 1 1 69 69 GLN H H 1 7.353 0.012 . 1 . . . . . 66 GLN H . 27405 1 726 . 1 1 69 69 GLN HA H 1 4.046 0.020 . 1 . . . . . 66 GLN HA . 27405 1 727 . 1 1 69 69 GLN HB2 H 1 1.650 0.005 . 2 . . . . . 66 GLN HB2 . 27405 1 728 . 1 1 69 69 GLN HB3 H 1 1.204 0.007 . 2 . . . . . 66 GLN HB3 . 27405 1 729 . 1 1 69 69 GLN HG2 H 1 2.079 0.008 . 1 . . . . . 66 GLN HG2 . 27405 1 730 . 1 1 69 69 GLN HG3 H 1 2.079 0.008 . 1 . . . . . 66 GLN HG3 . 27405 1 731 . 1 1 69 69 GLN C C 13 177.326 0.000 . 1 . . . . . 66 GLN C . 27405 1 732 . 1 1 69 69 GLN CA C 13 57.713 0.201 . 1 . . . . . 66 GLN CA . 27405 1 733 . 1 1 69 69 GLN CB C 13 30.592 0.181 . 1 . . . . . 66 GLN CB . 27405 1 734 . 1 1 69 69 GLN CG C 13 33.892 0.143 . 1 . . . . . 66 GLN CG . 27405 1 735 . 1 1 69 69 GLN N N 15 114.743 0.062 . 1 . . . . . 66 GLN N . 27405 1 736 . 1 1 70 70 TYR H H 1 8.825 0.006 . 1 . . . . . 67 TYR H . 27405 1 737 . 1 1 70 70 TYR HA H 1 4.755 0.004 . 1 . . . . . 67 TYR HA . 27405 1 738 . 1 1 70 70 TYR HB2 H 1 3.119 0.005 . 2 . . . . . 67 TYR HB2 . 27405 1 739 . 1 1 70 70 TYR HB3 H 1 2.647 0.013 . 2 . . . . . 67 TYR HB3 . 27405 1 740 . 1 1 70 70 TYR HD1 H 1 7.225 0.010 . 1 . . . . . 67 TYR HD1 . 27405 1 741 . 1 1 70 70 TYR HD2 H 1 7.225 0.010 . 1 . . . . . 67 TYR HD2 . 27405 1 742 . 1 1 70 70 TYR HE1 H 1 6.807 0.000 . 1 . . . . . 67 TYR HE1 . 27405 1 743 . 1 1 70 70 TYR HE2 H 1 6.807 0.000 . 1 . . . . . 67 TYR HE2 . 27405 1 744 . 1 1 70 70 TYR C C 13 177.322 0.000 . 1 . . . . . 67 TYR C . 27405 1 745 . 1 1 70 70 TYR CA C 13 58.182 0.161 . 1 . . . . . 67 TYR CA . 27405 1 746 . 1 1 70 70 TYR CB C 13 41.465 0.207 . 1 . . . . . 67 TYR CB . 27405 1 747 . 1 1 70 70 TYR N N 15 113.706 0.043 . 1 . . . . . 67 TYR N . 27405 1 748 . 1 1 71 71 GLY H H 1 8.728 0.008 . 1 . . . . . 68 GLY H . 27405 1 749 . 1 1 71 71 GLY HA2 H 1 4.466 0.009 . 2 . . . . . 68 GLY HA2 . 27405 1 750 . 1 1 71 71 GLY HA3 H 1 3.356 0.005 . 2 . . . . . 68 GLY HA3 . 27405 1 751 . 1 1 71 71 GLY C C 13 174.086 0.000 . 1 . . . . . 68 GLY C . 27405 1 752 . 1 1 71 71 GLY CA C 13 44.559 0.198 . 1 . . . . . 68 GLY CA . 27405 1 753 . 1 1 71 71 GLY N N 15 112.257 0.043 . 1 . . . . . 68 GLY N . 27405 1 754 . 1 1 72 72 LEU H H 1 8.655 0.011 . 1 . . . . . 69 LEU H . 27405 1 755 . 1 1 72 72 LEU HA H 1 4.098 0.010 . 1 . . . . . 69 LEU HA . 27405 1 756 . 1 1 72 72 LEU HB2 H 1 1.876 0.009 . 2 . . . . . 69 LEU HB2 . 27405 1 757 . 1 1 72 72 LEU HB3 H 1 2.076 0.002 . 2 . . . . . 69 LEU HB3 . 27405 1 758 . 1 1 72 72 LEU HG H 1 0.900 0.004 . 1 . . . . . 69 LEU HG . 27405 1 759 . 1 1 72 72 LEU HD11 H 1 0.964 0.000 . 1 . . . . . 69 LEU HD11 . 27405 1 760 . 1 1 72 72 LEU HD12 H 1 0.964 0.000 . 1 . . . . . 69 LEU HD12 . 27405 1 761 . 1 1 72 72 LEU HD13 H 1 0.964 0.000 . 1 . . . . . 69 LEU HD13 . 27405 1 762 . 1 1 72 72 LEU HD21 H 1 0.963 0.001 . 1 . . . . . 69 LEU HD21 . 27405 1 763 . 1 1 72 72 LEU HD22 H 1 0.963 0.001 . 1 . . . . . 69 LEU HD22 . 27405 1 764 . 1 1 72 72 LEU HD23 H 1 0.963 0.001 . 1 . . . . . 69 LEU HD23 . 27405 1 765 . 1 1 72 72 LEU C C 13 174.093 0.000 . 1 . . . . . 69 LEU C . 27405 1 766 . 1 1 72 72 LEU CA C 13 59.378 0.028 . 1 . . . . . 69 LEU CA . 27405 1 767 . 1 1 72 72 LEU CB C 13 43.460 0.162 . 1 . . . . . 69 LEU CB . 27405 1 768 . 1 1 72 72 LEU CG C 13 26.820 0.061 . 1 . . . . . 69 LEU CG . 27405 1 769 . 1 1 72 72 LEU CD1 C 13 23.366 0.161 . 1 . . . . . 69 LEU CD1 . 27405 1 770 . 1 1 72 72 LEU CD2 C 13 23.356 0.197 . 1 . . . . . 69 LEU CD2 . 27405 1 771 . 1 1 72 72 LEU N N 15 119.641 0.054 . 1 . . . . . 69 LEU N . 27405 1 772 . 1 1 73 73 GLU H H 1 8.592 0.010 . 1 . . . . . 70 GLU H . 27405 1 773 . 1 1 73 73 GLU HA H 1 3.954 0.014 . 1 . . . . . 70 GLU HA . 27405 1 774 . 1 1 73 73 GLU HB2 H 1 1.973 0.005 . 1 . . . . . 70 GLU HB2 . 27405 1 775 . 1 1 73 73 GLU HB3 H 1 1.970 0.009 . 1 . . . . . 70 GLU HB3 . 27405 1 776 . 1 1 73 73 GLU HG2 H 1 1.978 0.003 . 1 . . . . . 70 GLU HG2 . 27405 1 777 . 1 1 73 73 GLU HG3 H 1 1.978 0.003 . 1 . . . . . 70 GLU HG3 . 27405 1 778 . 1 1 73 73 GLU C C 13 179.828 0.000 . 1 . . . . . 70 GLU C . 27405 1 779 . 1 1 73 73 GLU CA C 13 60.077 0.144 . 1 . . . . . 70 GLU CA . 27405 1 780 . 1 1 73 73 GLU CB C 13 28.369 0.169 . 1 . . . . . 70 GLU CB . 27405 1 781 . 1 1 73 73 GLU CG C 13 36.384 0.020 . 1 . . . . . 70 GLU CG . 27405 1 782 . 1 1 73 73 GLU N N 15 117.874 0.045 . 1 . . . . . 70 GLU N . 27405 1 783 . 1 1 74 74 ALA H H 1 8.279 0.010 . 1 . . . . . 71 ALA H . 27405 1 784 . 1 1 74 74 ALA HA H 1 3.981 0.014 . 1 . . . . . 71 ALA HA . 27405 1 785 . 1 1 74 74 ALA HB1 H 1 1.103 0.011 . 1 . . . . . 71 ALA HB1 . 27405 1 786 . 1 1 74 74 ALA HB2 H 1 1.103 0.011 . 1 . . . . . 71 ALA HB2 . 27405 1 787 . 1 1 74 74 ALA HB3 H 1 1.103 0.011 . 1 . . . . . 71 ALA HB3 . 27405 1 788 . 1 1 74 74 ALA C C 13 179.586 0.000 . 1 . . . . . 71 ALA C . 27405 1 789 . 1 1 74 74 ALA CA C 13 54.510 0.274 . 1 . . . . . 71 ALA CA . 27405 1 790 . 1 1 74 74 ALA CB C 13 19.481 0.191 . 1 . . . . . 71 ALA CB . 27405 1 791 . 1 1 74 74 ALA N N 15 121.542 0.180 . 1 . . . . . 71 ALA N . 27405 1 792 . 1 1 75 75 ALA H H 1 7.943 0.007 . 1 . . . . . 72 ALA H . 27405 1 793 . 1 1 75 75 ALA HA H 1 3.954 0.016 . 1 . . . . . 72 ALA HA . 27405 1 794 . 1 1 75 75 ALA HB1 H 1 1.512 0.012 . 1 . . . . . 72 ALA HB1 . 27405 1 795 . 1 1 75 75 ALA HB2 H 1 1.512 0.012 . 1 . . . . . 72 ALA HB2 . 27405 1 796 . 1 1 75 75 ALA HB3 H 1 1.512 0.012 . 1 . . . . . 72 ALA HB3 . 27405 1 797 . 1 1 75 75 ALA C C 13 179.182 0.000 . 1 . . . . . 72 ALA C . 27405 1 798 . 1 1 75 75 ALA CA C 13 55.304 0.166 . 1 . . . . . 72 ALA CA . 27405 1 799 . 1 1 75 75 ALA CB C 13 18.701 0.136 . 1 . . . . . 72 ALA CB . 27405 1 800 . 1 1 75 75 ALA N N 15 120.409 0.065 . 1 . . . . . 72 ALA N . 27405 1 801 . 1 1 76 76 ARG H H 1 8.210 0.008 . 1 . . . . . 73 ARG H . 27405 1 802 . 1 1 76 76 ARG HA H 1 3.994 0.015 . 1 . . . . . 73 ARG HA . 27405 1 803 . 1 1 76 76 ARG HB2 H 1 1.837 0.015 . 2 . . . . . 73 ARG HB2 . 27405 1 804 . 1 1 76 76 ARG HB3 H 1 1.839 0.014 . 1 . . . . . 73 ARG HB3 . 27405 1 805 . 1 1 76 76 ARG HG2 H 1 1.551 0.012 . 1 . . . . . 73 ARG HG2 . 27405 1 806 . 1 1 76 76 ARG HG3 H 1 1.550 0.010 . 1 . . . . . 73 ARG HG3 . 27405 1 807 . 1 1 76 76 ARG HD2 H 1 2.975 0.007 . 1 . . . . . 73 ARG HD2 . 27405 1 808 . 1 1 76 76 ARG HD3 H 1 2.974 0.008 . 1 . . . . . 73 ARG HD3 . 27405 1 809 . 1 1 76 76 ARG HE H 1 10.041 0.004 . 1 . . . . . 73 ARG HE . 27405 1 810 . 1 1 76 76 ARG C C 13 178.015 0.014 . 1 . . . . . 73 ARG C . 27405 1 811 . 1 1 76 76 ARG CA C 13 58.771 0.219 . 1 . . . . . 73 ARG CA . 27405 1 812 . 1 1 76 76 ARG CB C 13 31.579 0.168 . 1 . . . . . 73 ARG CB . 27405 1 813 . 1 1 76 76 ARG CG C 13 27.296 0.054 . 1 . . . . . 73 ARG CG . 27405 1 814 . 1 1 76 76 ARG CD C 13 44.164 0.302 . 1 . . . . . 73 ARG CD . 27405 1 815 . 1 1 76 76 ARG N N 15 116.206 0.054 . 1 . . . . . 73 ARG N . 27405 1 816 . 1 1 76 76 ARG NE N 15 120.177 0.000 . 1 . . . . . 73 ARG NE . 27405 1 817 . 1 1 77 77 SER H H 1 7.724 0.007 . 1 . . . . . 74 SER H . 27405 1 818 . 1 1 77 77 SER HA H 1 4.403 0.006 . 1 . . . . . 74 SER HA . 27405 1 819 . 1 1 77 77 SER HB2 H 1 3.922 0.023 . 1 . . . . . 74 SER HB2 . 27405 1 820 . 1 1 77 77 SER HB3 H 1 3.928 0.027 . 1 . . . . . 74 SER HB3 . 27405 1 821 . 1 1 77 77 SER C C 13 174.912 0.000 . 1 . . . . . 74 SER C . 27405 1 822 . 1 1 77 77 SER CA C 13 59.311 0.148 . 1 . . . . . 74 SER CA . 27405 1 823 . 1 1 77 77 SER CB C 13 64.204 0.148 . 1 . . . . . 74 SER CB . 27405 1 824 . 1 1 77 77 SER N N 15 112.794 0.050 . 1 . . . . . 74 SER N . 27405 1 825 . 1 1 78 78 GLY H H 1 7.974 0.005 . 1 . . . . . 75 GLY H . 27405 1 826 . 1 1 78 78 GLY HA2 H 1 3.739 0.011 . 2 . . . . . 75 GLY HA2 . 27405 1 827 . 1 1 78 78 GLY HA3 H 1 4.136 0.012 . 2 . . . . . 75 GLY HA3 . 27405 1 828 . 1 1 78 78 GLY C C 13 173.920 0.000 . 1 . . . . . 75 GLY C . 27405 1 829 . 1 1 78 78 GLY CA C 13 45.533 0.136 . 1 . . . . . 75 GLY CA . 27405 1 830 . 1 1 78 78 GLY N N 15 109.677 0.044 . 1 . . . . . 75 GLY N . 27405 1 831 . 1 1 79 79 GLY H H 1 8.121 0.005 . 1 . . . . . 76 GLY H . 27405 1 832 . 1 1 79 79 GLY C C 13 173.922 0.000 . 1 . . . . . 76 GLY C . 27405 1 833 . 1 1 79 79 GLY CA C 13 44.545 0.000 . 1 . . . . . 76 GLY CA . 27405 1 834 . 1 1 79 79 GLY N N 15 108.581 0.083 . 1 . . . . . 76 GLY N . 27405 1 835 . 1 1 80 80 PRO HA H 1 4.153 0.006 . 1 . . . . . 77 PRO HA . 27405 1 836 . 1 1 80 80 PRO HB2 H 1 1.619 0.011 . 2 . . . . . 77 PRO HB2 . 27405 1 837 . 1 1 80 80 PRO HB3 H 1 1.525 0.001 . 2 . . . . . 77 PRO HB3 . 27405 1 838 . 1 1 80 80 PRO CA C 13 62.963 0.186 . 1 . . . . . 77 PRO CA . 27405 1 839 . 1 1 80 80 PRO CB C 13 31.996 0.215 . 1 . . . . . 77 PRO CB . 27405 1 840 . 1 1 81 81 SER H H 1 8.060 0.008 . 1 . . . . . 78 SER H . 27405 1 841 . 1 1 81 81 SER HA H 1 4.306 0.008 . 1 . . . . . 78 SER HA . 27405 1 842 . 1 1 81 81 SER HB2 H 1 3.687 0.015 . 1 . . . . . 78 SER HB2 . 27405 1 843 . 1 1 81 81 SER HB3 H 1 3.681 0.004 . 1 . . . . . 78 SER HB3 . 27405 1 844 . 1 1 81 81 SER C C 13 173.983 0.000 . 1 . . . . . 78 SER C . 27405 1 845 . 1 1 81 81 SER CA C 13 57.972 0.156 . 1 . . . . . 78 SER CA . 27405 1 846 . 1 1 81 81 SER CB C 13 63.537 0.152 . 1 . . . . . 78 SER CB . 27405 1 847 . 1 1 81 81 SER N N 15 115.238 0.051 . 1 . . . . . 78 SER N . 27405 1 848 . 1 1 82 82 PHE H H 1 8.069 0.006 . 1 . . . . . 79 PHE H . 27405 1 849 . 1 1 82 82 PHE HA H 1 4.642 0.012 . 1 . . . . . 79 PHE HA . 27405 1 850 . 1 1 82 82 PHE HB2 H 1 3.145 0.005 . 2 . . . . . 79 PHE HB2 . 27405 1 851 . 1 1 82 82 PHE HB3 H 1 2.921 0.003 . 2 . . . . . 79 PHE HB3 . 27405 1 852 . 1 1 82 82 PHE HD1 H 1 7.183 0.002 . 1 . . . . . 79 PHE HD1 . 27405 1 853 . 1 1 82 82 PHE HD2 H 1 7.183 0.002 . 1 . . . . . 79 PHE HD2 . 27405 1 854 . 1 1 82 82 PHE C C 13 175.623 0.007 . 1 . . . . . 79 PHE C . 27405 1 855 . 1 1 82 82 PHE CA C 13 57.455 0.086 . 1 . . . . . 79 PHE CA . 27405 1 856 . 1 1 82 82 PHE CB C 13 39.887 0.131 . 1 . . . . . 79 PHE CB . 27405 1 857 . 1 1 82 82 PHE CD1 C 13 131.516 0.000 . 1 . . . . . 79 PHE CD1 . 27405 1 858 . 1 1 82 82 PHE CD2 C 13 131.516 0.000 . 1 . . . . . 79 PHE CD2 . 27405 1 859 . 1 1 82 82 PHE N N 15 121.651 0.194 . 1 . . . . . 79 PHE N . 27405 1 860 . 1 1 83 83 GLY H H 1 8.061 0.006 . 1 . . . . . 80 GLY H . 27405 1 861 . 1 1 83 83 GLY C C 13 182.695 0.000 . 1 . . . . . 80 GLY C . 27405 1 862 . 1 1 83 83 GLY CA C 13 44.434 0.000 . 1 . . . . . 80 GLY CA . 27405 1 863 . 1 1 83 83 GLY N N 15 110.669 0.051 . 1 . . . . . 80 GLY N . 27405 1 stop_ save_