data_51091 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51091 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Perna viridis foot protein 5b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-20 _Entry.Accession_date 2021-09-20 _Entry.Last_release_date 2021-09-20 _Entry.Original_release_date 2021-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Francesca Venturella . . . 0000-0002-8289-5260 51091 2 Maria Morando . A. . 0000-0002-7349-3876 51091 3 Caterina Alfano . . . 0000-0003-0374-5852 51091 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology Unit, Fondazione Ri.MED' . 51091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 51091 '15N chemical shifts' 73 51091 '1H chemical shifts' 510 51091 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 . . 2022-08-16 2021-09-20 update BMRB 'update entry citation' 51091 1 . . 2022-07-28 2021-09-20 original author 'original release' 51091 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51091 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35879391 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of recombinant Pvfp-5b reveals insights into mussel adhesion ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 739 _Citation.Page_last 739 _Citation.Year 2022 _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 'Maria Agnese' Morando M. A. . . 51091 1 2 Francesca Venturella F. . . . 51091 1 3 Martina Sollazzo M. . . . 51091 1 4 Elisa Monaca E. . . . 51091 1 5 Raffaele Sabbatella R. . . . 51091 1 6 Valeria Vetri V. . . . 51091 1 7 Rosa Passantino R. . . . 51091 1 8 Annalisa Pastore A. . . . 51091 1 9 Caterina Alfano C. . . . 51091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51091 _Assembly.ID 1 _Assembly.Name pvfp5b _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 pvfp5b 1 $entity_1 . . yes native no no . . . 51091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVYYPNPCSPYPCRNGGTCK KRGLYSYKCYCRKGYTGKNC QYNACFPNPCLNGGTCGYVY GYPYYKCSCPYGYYGKQCQL KKY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is a residual no native residue after tag removal' _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9500 _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 . 51091 1 2 . VAL . 51091 1 3 . TYR . 51091 1 4 . TYR . 51091 1 5 . PRO . 51091 1 6 . ASN . 51091 1 7 . PRO . 51091 1 8 . CYS . 51091 1 9 . SER . 51091 1 10 . PRO . 51091 1 11 . TYR . 51091 1 12 . PRO . 51091 1 13 . CYS . 51091 1 14 . ARG . 51091 1 15 . ASN . 51091 1 16 . GLY . 51091 1 17 . GLY . 51091 1 18 . THR . 51091 1 19 . CYS . 51091 1 20 . LYS . 51091 1 21 . LYS . 51091 1 22 . ARG . 51091 1 23 . GLY . 51091 1 24 . LEU . 51091 1 25 . TYR . 51091 1 26 . SER . 51091 1 27 . TYR . 51091 1 28 . LYS . 51091 1 29 . CYS . 51091 1 30 . TYR . 51091 1 31 . CYS . 51091 1 32 . ARG . 51091 1 33 . LYS . 51091 1 34 . GLY . 51091 1 35 . TYR . 51091 1 36 . THR . 51091 1 37 . GLY . 51091 1 38 . LYS . 51091 1 39 . ASN . 51091 1 40 . CYS . 51091 1 41 . GLN . 51091 1 42 . TYR . 51091 1 43 . ASN . 51091 1 44 . ALA . 51091 1 45 . CYS . 51091 1 46 . PHE . 51091 1 47 . PRO . 51091 1 48 . ASN . 51091 1 49 . PRO . 51091 1 50 . CYS . 51091 1 51 . LEU . 51091 1 52 . ASN . 51091 1 53 . GLY . 51091 1 54 . GLY . 51091 1 55 . THR . 51091 1 56 . CYS . 51091 1 57 . GLY . 51091 1 58 . TYR . 51091 1 59 . VAL . 51091 1 60 . TYR . 51091 1 61 . GLY . 51091 1 62 . TYR . 51091 1 63 . PRO . 51091 1 64 . TYR . 51091 1 65 . TYR . 51091 1 66 . LYS . 51091 1 67 . CYS . 51091 1 68 . SER . 51091 1 69 . CYS . 51091 1 70 . PRO . 51091 1 71 . TYR . 51091 1 72 . GLY . 51091 1 73 . TYR . 51091 1 74 . TYR . 51091 1 75 . GLY . 51091 1 76 . LYS . 51091 1 77 . GLN . 51091 1 78 . CYS . 51091 1 79 . GLN . 51091 1 80 . LEU . 51091 1 81 . LYS . 51091 1 82 . LYS . 51091 1 83 . TYR . 51091 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 51091 1 . VAL 2 2 51091 1 . TYR 3 3 51091 1 . TYR 4 4 51091 1 . PRO 5 5 51091 1 . ASN 6 6 51091 1 . PRO 7 7 51091 1 . CYS 8 8 51091 1 . SER 9 9 51091 1 . PRO 10 10 51091 1 . TYR 11 11 51091 1 . PRO 12 12 51091 1 . CYS 13 13 51091 1 . ARG 14 14 51091 1 . ASN 15 15 51091 1 . GLY 16 16 51091 1 . GLY 17 17 51091 1 . THR 18 18 51091 1 . CYS 19 19 51091 1 . LYS 20 20 51091 1 . LYS 21 21 51091 1 . ARG 22 22 51091 1 . GLY 23 23 51091 1 . LEU 24 24 51091 1 . TYR 25 25 51091 1 . SER 26 26 51091 1 . TYR 27 27 51091 1 . LYS 28 28 51091 1 . CYS 29 29 51091 1 . TYR 30 30 51091 1 . CYS 31 31 51091 1 . ARG 32 32 51091 1 . LYS 33 33 51091 1 . GLY 34 34 51091 1 . TYR 35 35 51091 1 . THR 36 36 51091 1 . GLY 37 37 51091 1 . LYS 38 38 51091 1 . ASN 39 39 51091 1 . CYS 40 40 51091 1 . GLN 41 41 51091 1 . TYR 42 42 51091 1 . ASN 43 43 51091 1 . ALA 44 44 51091 1 . CYS 45 45 51091 1 . PHE 46 46 51091 1 . PRO 47 47 51091 1 . ASN 48 48 51091 1 . PRO 49 49 51091 1 . CYS 50 50 51091 1 . LEU 51 51 51091 1 . ASN 52 52 51091 1 . GLY 53 53 51091 1 . GLY 54 54 51091 1 . THR 55 55 51091 1 . CYS 56 56 51091 1 . GLY 57 57 51091 1 . TYR 58 58 51091 1 . VAL 59 59 51091 1 . TYR 60 60 51091 1 . GLY 61 61 51091 1 . TYR 62 62 51091 1 . PRO 63 63 51091 1 . TYR 64 64 51091 1 . TYR 65 65 51091 1 . LYS 66 66 51091 1 . CYS 67 67 51091 1 . SER 68 68 51091 1 . CYS 69 69 51091 1 . PRO 70 70 51091 1 . TYR 71 71 51091 1 . GLY 72 72 51091 1 . TYR 73 73 51091 1 . TYR 74 74 51091 1 . GLY 75 75 51091 1 . LYS 76 76 51091 1 . GLN 77 77 51091 1 . CYS 78 78 51091 1 . GLN 79 79 51091 1 . LEU 80 80 51091 1 . LYS 81 81 51091 1 . LYS 82 82 51091 1 . TYR 83 83 51091 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51091 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 73031 organism . 'Perna viridis' 'Asian green mussel' . . Eukaryota Metazoa Perna viridis . . . . . . . . . . . . . 51091 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51091 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET . . . 51091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51091 _Sample.ID 1 _Sample.Name '13C, 15N labelled sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Pvfp5b '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.65 0.3 1.0 mM . . . . 51091 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 51091 _Sample_condition_list.ID 1 _Sample_condition_list.Name 13C15N-pvfp5b _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' 0 . M 51091 1 pH 4.5 . pH 51091 1 pressure 1 . atm 51091 1 temperature 298 . K 51091 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51091 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51091 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker800_RiMED _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51091 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker800_KCL _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51091 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 4 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 7 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51091 1 10 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 11 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51091 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51091 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_ref _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 internal indirect . . . . . . 51091 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51091 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51091 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51091 1 2 '2D 1H-13C HSQC' . . . 51091 1 3 '3D CBCA(CO)NH' . . . 51091 1 4 '3D CBCANH' . . . 51091 1 5 '3D HNCO' . . . 51091 1 6 '3D HNCA' . . . 51091 1 7 '3D HBHANH' . . . 51091 1 8 '3D HBHA(CO)NH' . . . 51091 1 9 '3D HCCH-TOCSY' . . . 51091 1 10 '2D HBCBCGCDCEHE' . . . 51091 1 11 '2D HBCBCGCDHD' . . . 51091 1 12 '3D 1H-13C NOESY aliphatic' . . . 51091 1 13 '3D 1H-13C NOESY aromatic' . . . 51091 1 14 '3D 1H-15N NOESY' . . . 51091 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 169.755 0.000 . 1 . . . . . 1 GLY C . 51091 1 2 . 1 . 1 1 1 GLY CA C 13 43.370 0.089 . 1 . . . . . 1 GLY CA . 51091 1 3 . 1 . 1 2 2 VAL H H 1 8.346 0.003 . 1 . . . . . 2 VAL H . 51091 1 4 . 1 . 1 2 2 VAL HA H 1 4.051 0.006 . 1 . . . . . 2 VAL HA . 51091 1 5 . 1 . 1 2 2 VAL HB H 1 1.902 0.009 . 1 . . . . . 2 VAL HB . 51091 1 6 . 1 . 1 2 2 VAL HG11 H 1 0.842 0.001 . 1 . . . . . 2 VAL HG11 . 51091 1 7 . 1 . 1 2 2 VAL HG12 H 1 0.842 0.001 . 1 . . . . . 2 VAL HG12 . 51091 1 8 . 1 . 1 2 2 VAL HG13 H 1 0.842 0.001 . 1 . . . . . 2 VAL HG13 . 51091 1 9 . 1 . 1 2 2 VAL HG21 H 1 0.726 0.002 . 1 . . . . . 2 VAL HG21 . 51091 1 10 . 1 . 1 2 2 VAL HG22 H 1 0.726 0.002 . 1 . . . . . 2 VAL HG22 . 51091 1 11 . 1 . 1 2 2 VAL HG23 H 1 0.726 0.002 . 1 . . . . . 2 VAL HG23 . 51091 1 12 . 1 . 1 2 2 VAL C C 13 175.103 0.000 . 1 . . . . . 2 VAL C . 51091 1 13 . 1 . 1 2 2 VAL CA C 13 62.357 0.081 . 1 . . . . . 2 VAL CA . 51091 1 14 . 1 . 1 2 2 VAL CB C 13 32.984 0.118 . 1 . . . . . 2 VAL CB . 51091 1 15 . 1 . 1 2 2 VAL CG1 C 13 20.644 0.233 . 1 . . . . . 2 VAL CG1 . 51091 1 16 . 1 . 1 2 2 VAL CG2 C 13 21.019 0.008 . 1 . . . . . 2 VAL CG2 . 51091 1 17 . 1 . 1 2 2 VAL N N 15 119.473 0.044 . 1 . . . . . 2 VAL N . 51091 1 18 . 1 . 1 3 3 TYR H H 1 8.253 0.002 . 1 . . . . . 3 TYR H . 51091 1 19 . 1 . 1 3 3 TYR HA H 1 4.535 0.007 . 1 . . . . . 3 TYR HA . 51091 1 20 . 1 . 1 3 3 TYR HB2 H 1 2.863 0.042 . 2 . . . . . 3 TYR HB2 . 51091 1 21 . 1 . 1 3 3 TYR HB3 H 1 2.881 0.045 . 2 . . . . . 3 TYR HB3 . 51091 1 22 . 1 . 1 3 3 TYR HD1 H 1 7.049 0.000 . 1 . . . . . 3 TYR HD1 . 51091 1 23 . 1 . 1 3 3 TYR HD2 H 1 7.049 0.000 . 1 . . . . . 3 TYR HD2 . 51091 1 24 . 1 . 1 3 3 TYR HE1 H 1 6.779 0.000 . 1 . . . . . 3 TYR HE1 . 51091 1 25 . 1 . 1 3 3 TYR HE2 H 1 6.779 0.000 . 1 . . . . . 3 TYR HE2 . 51091 1 26 . 1 . 1 3 3 TYR C C 13 174.324 0.000 . 1 . . . . . 3 TYR C . 51091 1 27 . 1 . 1 3 3 TYR CA C 13 57.602 0.121 . 1 . . . . . 3 TYR CA . 51091 1 28 . 1 . 1 3 3 TYR CB C 13 39.255 0.102 . 1 . . . . . 3 TYR CB . 51091 1 29 . 1 . 1 3 3 TYR CD1 C 13 132.662 0.000 . 1 . . . . . 3 TYR CD1 . 51091 1 30 . 1 . 1 3 3 TYR CD2 C 13 132.662 0.000 . 1 . . . . . 3 TYR CD2 . 51091 1 31 . 1 . 1 3 3 TYR CE1 C 13 117.876 0.000 . 1 . . . . . 3 TYR CE1 . 51091 1 32 . 1 . 1 3 3 TYR CE2 C 13 117.876 0.000 . 1 . . . . . 3 TYR CE2 . 51091 1 33 . 1 . 1 3 3 TYR N N 15 124.887 0.034 . 1 . . . . . 3 TYR N . 51091 1 34 . 1 . 1 4 4 TYR H H 1 7.982 0.001 . 1 . . . . . 4 TYR H . 51091 1 35 . 1 . 1 4 4 TYR HA H 1 4.726 0.003 . 1 . . . . . 4 TYR HA . 51091 1 36 . 1 . 1 4 4 TYR HB2 H 1 2.690 0.004 . 2 . . . . . 4 TYR HB2 . 51091 1 37 . 1 . 1 4 4 TYR HB3 H 1 2.952 0.008 . 2 . . . . . 4 TYR HB3 . 51091 1 38 . 1 . 1 4 4 TYR HD1 H 1 7.089 0.000 . 1 . . . . . 4 TYR HD1 . 51091 1 39 . 1 . 1 4 4 TYR HD2 H 1 7.089 0.000 . 1 . . . . . 4 TYR HD2 . 51091 1 40 . 1 . 1 4 4 TYR HE1 H 1 6.771 0.000 . 1 . . . . . 4 TYR HE1 . 51091 1 41 . 1 . 1 4 4 TYR HE2 H 1 6.771 0.000 . 1 . . . . . 4 TYR HE2 . 51091 1 42 . 1 . 1 4 4 TYR CA C 13 55.199 0.014 . 1 . . . . . 4 TYR CA . 51091 1 43 . 1 . 1 4 4 TYR CB C 13 39.025 0.085 . 1 . . . . . 4 TYR CB . 51091 1 44 . 1 . 1 4 4 TYR CD1 C 13 133.294 0.000 . 1 . . . . . 4 TYR CD1 . 51091 1 45 . 1 . 1 4 4 TYR CD2 C 13 133.294 0.000 . 1 . . . . . 4 TYR CD2 . 51091 1 46 . 1 . 1 4 4 TYR CE1 C 13 118.638 0.000 . 1 . . . . . 4 TYR CE1 . 51091 1 47 . 1 . 1 4 4 TYR CE2 C 13 118.638 0.000 . 1 . . . . . 4 TYR CE2 . 51091 1 48 . 1 . 1 4 4 TYR N N 15 125.550 0.361 . 1 . . . . . 4 TYR N . 51091 1 49 . 1 . 1 5 5 PRO HA H 1 4.270 0.005 . 1 . . . . . 5 PRO HA . 51091 1 50 . 1 . 1 5 5 PRO HB2 H 1 1.929 0.036 . 2 . . . . . 5 PRO HB2 . 51091 1 51 . 1 . 1 5 5 PRO HB3 H 1 2.285 0.005 . 2 . . . . . 5 PRO HB3 . 51091 1 52 . 1 . 1 5 5 PRO HG2 H 1 2.286 0.001 . 1 . . . . . 5 PRO HG2 . 51091 1 53 . 1 . 1 5 5 PRO HG3 H 1 1.976 0.031 . 1 . . . . . 5 PRO HG3 . 51091 1 54 . 1 . 1 5 5 PRO HD2 H 1 3.519 0.028 . 2 . . . . . 5 PRO HD2 . 51091 1 55 . 1 . 1 5 5 PRO HD3 H 1 3.589 0.002 . 2 . . . . . 5 PRO HD3 . 51091 1 56 . 1 . 1 5 5 PRO C C 13 175.580 0.000 . 1 . . . . . 5 PRO C . 51091 1 57 . 1 . 1 5 5 PRO CA C 13 62.986 0.039 . 1 . . . . . 5 PRO CA . 51091 1 58 . 1 . 1 5 5 PRO CB C 13 32.269 0.070 . 1 . . . . . 5 PRO CB . 51091 1 59 . 1 . 1 5 5 PRO CG C 13 27.352 0.030 . 1 . . . . . 5 PRO CG . 51091 1 60 . 1 . 1 5 5 PRO CD C 13 50.690 0.071 . 1 . . . . . 5 PRO CD . 51091 1 61 . 1 . 1 6 6 ASN H H 1 8.423 0.002 . 1 . . . . . 6 ASN H . 51091 1 62 . 1 . 1 6 6 ASN HA H 1 4.990 0.002 . 1 . . . . . 6 ASN HA . 51091 1 63 . 1 . 1 6 6 ASN HB2 H 1 2.820 0.013 . 2 . . . . . 6 ASN HB2 . 51091 1 64 . 1 . 1 6 6 ASN HB3 H 1 3.078 0.005 . 2 . . . . . 6 ASN HB3 . 51091 1 65 . 1 . 1 6 6 ASN CA C 13 49.981 0.060 . 1 . . . . . 6 ASN CA . 51091 1 66 . 1 . 1 6 6 ASN CB C 13 39.452 0.077 . 1 . . . . . 6 ASN CB . 51091 1 67 . 1 . 1 6 6 ASN N N 15 118.582 0.251 . 1 . . . . . 6 ASN N . 51091 1 68 . 1 . 1 7 7 PRO HA H 1 4.518 0.007 . 1 . . . . . 7 PRO HA . 51091 1 69 . 1 . 1 7 7 PRO HB2 H 1 1.819 0.009 . 2 . . . . . 7 PRO HB2 . 51091 1 70 . 1 . 1 7 7 PRO HB3 H 1 2.114 0.006 . 2 . . . . . 7 PRO HB3 . 51091 1 71 . 1 . 1 7 7 PRO HG2 H 1 1.858 0.003 . 2 . . . . . 7 PRO HG2 . 51091 1 72 . 1 . 1 7 7 PRO HG3 H 1 2.186 0.012 . 2 . . . . . 7 PRO HG3 . 51091 1 73 . 1 . 1 7 7 PRO HD2 H 1 3.901 0.002 . 2 . . . . . 7 PRO HD2 . 51091 1 74 . 1 . 1 7 7 PRO HD3 H 1 3.739 0.002 . 2 . . . . . 7 PRO HD3 . 51091 1 75 . 1 . 1 7 7 PRO C C 13 176.184 0.000 . 1 . . . . . 7 PRO C . 51091 1 76 . 1 . 1 7 7 PRO CA C 13 63.909 0.018 . 1 . . . . . 7 PRO CA . 51091 1 77 . 1 . 1 7 7 PRO CB C 13 32.903 0.109 . 1 . . . . . 7 PRO CB . 51091 1 78 . 1 . 1 7 7 PRO CG C 13 27.574 0.070 . 1 . . . . . 7 PRO CG . 51091 1 79 . 1 . 1 7 7 PRO CD C 13 50.623 0.025 . 1 . . . . . 7 PRO CD . 51091 1 80 . 1 . 1 8 8 CYS H H 1 7.853 0.002 . 1 . . . . . 8 CYS H . 51091 1 81 . 1 . 1 8 8 CYS HA H 1 4.259 0.009 . 1 . . . . . 8 CYS HA . 51091 1 82 . 1 . 1 8 8 CYS HB2 H 1 3.310 0.010 . 2 . . . . . 8 CYS HB2 . 51091 1 83 . 1 . 1 8 8 CYS HB3 H 1 2.785 0.012 . 2 . . . . . 8 CYS HB3 . 51091 1 84 . 1 . 1 8 8 CYS C C 13 173.096 0.000 . 1 . . . . . 8 CYS C . 51091 1 85 . 1 . 1 8 8 CYS CA C 13 53.863 0.057 . 1 . . . . . 8 CYS CA . 51091 1 86 . 1 . 1 8 8 CYS CB C 13 41.206 0.081 . 1 . . . . . 8 CYS CB . 51091 1 87 . 1 . 1 8 8 CYS N N 15 112.344 0.064 . 1 . . . . . 8 CYS N . 51091 1 88 . 1 . 1 9 9 SER H H 1 7.465 0.002 . 1 . . . . . 9 SER H . 51091 1 89 . 1 . 1 9 9 SER HA H 1 4.527 0.004 . 1 . . . . . 9 SER HA . 51091 1 90 . 1 . 1 9 9 SER HB2 H 1 3.789 0.007 . 2 . . . . . 9 SER HB2 . 51091 1 91 . 1 . 1 9 9 SER HB3 H 1 3.521 0.002 . 2 . . . . . 9 SER HB3 . 51091 1 92 . 1 . 1 9 9 SER CA C 13 55.015 0.015 . 1 . . . . . 9 SER CA . 51091 1 93 . 1 . 1 9 9 SER CB C 13 65.066 0.057 . 1 . . . . . 9 SER CB . 51091 1 94 . 1 . 1 9 9 SER N N 15 116.288 0.061 . 1 . . . . . 9 SER N . 51091 1 95 . 1 . 1 10 10 PRO HA H 1 4.653 0.004 . 1 . . . . . 10 PRO HA . 51091 1 96 . 1 . 1 10 10 PRO HB2 H 1 2.390 0.009 . 2 . . . . . 10 PRO HB2 . 51091 1 97 . 1 . 1 10 10 PRO HB3 H 1 1.877 0.035 . 2 . . . . . 10 PRO HB3 . 51091 1 98 . 1 . 1 10 10 PRO HG2 H 1 1.844 0.026 . 2 . . . . . 10 PRO HG2 . 51091 1 99 . 1 . 1 10 10 PRO HG3 H 1 1.828 0.030 . 2 . . . . . 10 PRO HG3 . 51091 1 100 . 1 . 1 10 10 PRO HD2 H 1 3.527 0.002 . 1 . . . . . 10 PRO HD2 . 51091 1 101 . 1 . 1 10 10 PRO HD3 H 1 3.527 0.002 . 1 . . . . . 10 PRO HD3 . 51091 1 102 . 1 . 1 10 10 PRO C C 13 176.412 0.000 . 1 . . . . . 10 PRO C . 51091 1 103 . 1 . 1 10 10 PRO CA C 13 62.720 0.084 . 1 . . . . . 10 PRO CA . 51091 1 104 . 1 . 1 10 10 PRO CB C 13 34.149 0.073 . 1 . . . . . 10 PRO CB . 51091 1 105 . 1 . 1 10 10 PRO CG C 13 25.577 0.034 . 1 . . . . . 10 PRO CG . 51091 1 106 . 1 . 1 10 10 PRO CD C 13 50.367 0.046 . 1 . . . . . 10 PRO CD . 51091 1 107 . 1 . 1 11 11 TYR H H 1 8.868 0.004 . 1 . . . . . 11 TYR H . 51091 1 108 . 1 . 1 11 11 TYR HA H 1 4.453 0.014 . 1 . . . . . 11 TYR HA . 51091 1 109 . 1 . 1 11 11 TYR HB2 H 1 3.043 0.033 . 2 . . . . . 11 TYR HB2 . 51091 1 110 . 1 . 1 11 11 TYR HB3 H 1 3.012 0.032 . 2 . . . . . 11 TYR HB3 . 51091 1 111 . 1 . 1 11 11 TYR HD1 H 1 7.291 0.004 . 1 . . . . . 11 TYR HD1 . 51091 1 112 . 1 . 1 11 11 TYR HD2 H 1 7.291 0.004 . 1 . . . . . 11 TYR HD2 . 51091 1 113 . 1 . 1 11 11 TYR HE1 H 1 7.059 0.004 . 1 . . . . . 11 TYR HE1 . 51091 1 114 . 1 . 1 11 11 TYR HE2 H 1 7.059 0.004 . 1 . . . . . 11 TYR HE2 . 51091 1 115 . 1 . 1 11 11 TYR CA C 13 57.787 0.259 . 1 . . . . . 11 TYR CA . 51091 1 116 . 1 . 1 11 11 TYR CB C 13 39.399 0.062 . 1 . . . . . 11 TYR CB . 51091 1 117 . 1 . 1 11 11 TYR CD1 C 13 133.319 0.000 . 1 . . . . . 11 TYR CD1 . 51091 1 118 . 1 . 1 11 11 TYR CD2 C 13 133.319 0.000 . 1 . . . . . 11 TYR CD2 . 51091 1 119 . 1 . 1 11 11 TYR CE1 C 13 118.911 0.000 . 1 . . . . . 11 TYR CE1 . 51091 1 120 . 1 . 1 11 11 TYR CE2 C 13 118.911 0.000 . 1 . . . . . 11 TYR CE2 . 51091 1 121 . 1 . 1 11 11 TYR N N 15 126.868 0.044 . 1 . . . . . 11 TYR N . 51091 1 122 . 1 . 1 13 13 CYS HA H 1 4.460 0.006 . 1 . . . . . 13 CYS HA . 51091 1 123 . 1 . 1 13 13 CYS HB2 H 1 2.483 0.011 . 1 . . . . . 13 CYS HB2 . 51091 1 124 . 1 . 1 13 13 CYS HB3 H 1 2.483 0.011 . 1 . . . . . 13 CYS HB3 . 51091 1 125 . 1 . 1 13 13 CYS C C 13 173.417 0.000 . 1 . . . . . 13 CYS C . 51091 1 126 . 1 . 1 13 13 CYS CA C 13 52.884 0.057 . 1 . . . . . 13 CYS CA . 51091 1 127 . 1 . 1 13 13 CYS CB C 13 38.182 0.077 . 1 . . . . . 13 CYS CB . 51091 1 128 . 1 . 1 14 14 ARG H H 1 8.601 0.001 . 1 . . . . . 14 ARG H . 51091 1 129 . 1 . 1 14 14 ARG HA H 1 4.397 0.018 . 1 . . . . . 14 ARG HA . 51091 1 130 . 1 . 1 14 14 ARG HB2 H 1 1.531 0.000 . 2 . . . . . 14 ARG HB2 . 51091 1 131 . 1 . 1 14 14 ARG HB3 H 1 1.833 0.000 . 2 . . . . . 14 ARG HB3 . 51091 1 132 . 1 . 1 14 14 ARG HG2 H 1 1.663 0.003 . 1 . . . . . 14 ARG HG2 . 51091 1 133 . 1 . 1 14 14 ARG HG3 H 1 1.663 0.003 . 1 . . . . . 14 ARG HG3 . 51091 1 134 . 1 . 1 14 14 ARG HD2 H 1 3.093 0.003 . 1 . . . . . 14 ARG HD2 . 51091 1 135 . 1 . 1 14 14 ARG HD3 H 1 3.093 0.003 . 1 . . . . . 14 ARG HD3 . 51091 1 136 . 1 . 1 14 14 ARG C C 13 176.423 0.000 . 1 . . . . . 14 ARG C . 51091 1 137 . 1 . 1 14 14 ARG CA C 13 54.464 0.120 . 1 . . . . . 14 ARG CA . 51091 1 138 . 1 . 1 14 14 ARG CB C 13 32.113 0.117 . 1 . . . . . 14 ARG CB . 51091 1 139 . 1 . 1 14 14 ARG CG C 13 27.089 0.028 . 1 . . . . . 14 ARG CG . 51091 1 140 . 1 . 1 14 14 ARG CD C 13 43.122 0.060 . 1 . . . . . 14 ARG CD . 51091 1 141 . 1 . 1 14 14 ARG N N 15 122.942 0.181 . 1 . . . . . 14 ARG N . 51091 1 142 . 1 . 1 15 15 ASN H H 1 9.165 0.002 . 1 . . . . . 15 ASN H . 51091 1 143 . 1 . 1 15 15 ASN HA H 1 4.127 0.007 . 1 . . . . . 15 ASN HA . 51091 1 144 . 1 . 1 15 15 ASN HB2 H 1 2.070 0.012 . 2 . . . . . 15 ASN HB2 . 51091 1 145 . 1 . 1 15 15 ASN HB3 H 1 1.520 0.025 . 2 . . . . . 15 ASN HB3 . 51091 1 146 . 1 . 1 15 15 ASN C C 13 176.705 0.000 . 1 . . . . . 15 ASN C . 51091 1 147 . 1 . 1 15 15 ASN CA C 13 54.880 0.049 . 1 . . . . . 15 ASN CA . 51091 1 148 . 1 . 1 15 15 ASN CB C 13 37.226 0.291 . 1 . . . . . 15 ASN CB . 51091 1 149 . 1 . 1 15 15 ASN N N 15 114.145 0.049 . 1 . . . . . 15 ASN N . 51091 1 150 . 1 . 1 16 16 GLY H H 1 8.855 0.002 . 1 . . . . . 16 GLY H . 51091 1 151 . 1 . 1 16 16 GLY HA2 H 1 3.743 0.024 . 2 . . . . . 16 GLY HA2 . 51091 1 152 . 1 . 1 16 16 GLY HA3 H 1 3.904 0.003 . 2 . . . . . 16 GLY HA3 . 51091 1 153 . 1 . 1 16 16 GLY C C 13 175.534 0.000 . 1 . . . . . 16 GLY C . 51091 1 154 . 1 . 1 16 16 GLY CA C 13 45.882 0.130 . 1 . . . . . 16 GLY CA . 51091 1 155 . 1 . 1 16 16 GLY N N 15 107.111 0.023 . 1 . . . . . 16 GLY N . 51091 1 156 . 1 . 1 17 17 GLY H H 1 7.451 0.001 . 1 . . . . . 17 GLY H . 51091 1 157 . 1 . 1 17 17 GLY HA2 H 1 3.500 0.010 . 2 . . . . . 17 GLY HA2 . 51091 1 158 . 1 . 1 17 17 GLY HA3 H 1 4.441 0.011 . 2 . . . . . 17 GLY HA3 . 51091 1 159 . 1 . 1 17 17 GLY C C 13 172.555 0.000 . 1 . . . . . 17 GLY C . 51091 1 160 . 1 . 1 17 17 GLY CA C 13 45.745 0.100 . 1 . . . . . 17 GLY CA . 51091 1 161 . 1 . 1 17 17 GLY N N 15 105.810 0.062 . 1 . . . . . 17 GLY N . 51091 1 162 . 1 . 1 18 18 THR H H 1 8.933 0.002 . 1 . . . . . 18 THR H . 51091 1 163 . 1 . 1 18 18 THR HA H 1 4.556 0.006 . 1 . . . . . 18 THR HA . 51091 1 164 . 1 . 1 18 18 THR HB H 1 4.209 0.008 . 1 . . . . . 18 THR HB . 51091 1 165 . 1 . 1 18 18 THR HG21 H 1 1.278 0.002 . 1 . . . . . 18 THR HG21 . 51091 1 166 . 1 . 1 18 18 THR HG22 H 1 1.278 0.002 . 1 . . . . . 18 THR HG22 . 51091 1 167 . 1 . 1 18 18 THR HG23 H 1 1.278 0.002 . 1 . . . . . 18 THR HG23 . 51091 1 168 . 1 . 1 18 18 THR C C 13 172.767 0.000 . 1 . . . . . 18 THR C . 51091 1 169 . 1 . 1 18 18 THR CA C 13 62.859 0.082 . 1 . . . . . 18 THR CA . 51091 1 170 . 1 . 1 18 18 THR CB C 13 71.125 0.067 . 1 . . . . . 18 THR CB . 51091 1 171 . 1 . 1 18 18 THR CG2 C 13 21.929 0.070 . 1 . . . . . 18 THR CG2 . 51091 1 172 . 1 . 1 18 18 THR N N 15 119.288 0.036 . 1 . . . . . 18 THR N . 51091 1 173 . 1 . 1 19 19 CYS H H 1 8.515 0.002 . 1 . . . . . 19 CYS H . 51091 1 174 . 1 . 1 19 19 CYS HA H 1 4.807 0.000 . 1 . . . . . 19 CYS HA . 51091 1 175 . 1 . 1 19 19 CYS HB2 H 1 2.843 0.012 . 2 . . . . . 19 CYS HB2 . 51091 1 176 . 1 . 1 19 19 CYS HB3 H 1 2.279 0.008 . 2 . . . . . 19 CYS HB3 . 51091 1 177 . 1 . 1 19 19 CYS C C 13 173.268 0.000 . 1 . . . . . 19 CYS C . 51091 1 178 . 1 . 1 19 19 CYS CA C 13 57.323 0.065 . 1 . . . . . 19 CYS CA . 51091 1 179 . 1 . 1 19 19 CYS CB C 13 43.026 0.337 . 1 . . . . . 19 CYS CB . 51091 1 180 . 1 . 1 19 19 CYS N N 15 127.899 0.090 . 1 . . . . . 19 CYS N . 51091 1 181 . 1 . 1 20 20 LYS H H 1 9.330 0.004 . 1 . . . . . 20 LYS H . 51091 1 182 . 1 . 1 20 20 LYS HA H 1 4.881 0.006 . 1 . . . . . 20 LYS HA . 51091 1 183 . 1 . 1 20 20 LYS HB2 H 1 1.995 0.009 . 2 . . . . . 20 LYS HB2 . 51091 1 184 . 1 . 1 20 20 LYS HB3 H 1 1.861 0.002 . 2 . . . . . 20 LYS HB3 . 51091 1 185 . 1 . 1 20 20 LYS HG2 H 1 1.470 0.001 . 1 . . . . . 20 LYS HG2 . 51091 1 186 . 1 . 1 20 20 LYS HG3 H 1 1.470 0.001 . 1 . . . . . 20 LYS HG3 . 51091 1 187 . 1 . 1 20 20 LYS HD2 H 1 1.771 0.004 . 2 . . . . . 20 LYS HD2 . 51091 1 188 . 1 . 1 20 20 LYS HD3 H 1 1.647 0.005 . 2 . . . . . 20 LYS HD3 . 51091 1 189 . 1 . 1 20 20 LYS HE2 H 1 2.834 0.021 . 2 . . . . . 20 LYS HE2 . 51091 1 190 . 1 . 1 20 20 LYS HE3 H 1 2.778 0.001 . 2 . . . . . 20 LYS HE3 . 51091 1 191 . 1 . 1 20 20 LYS C C 13 175.297 0.000 . 1 . . . . . 20 LYS C . 51091 1 192 . 1 . 1 20 20 LYS CA C 13 54.725 0.190 . 1 . . . . . 20 LYS CA . 51091 1 193 . 1 . 1 20 20 LYS CB C 13 35.597 0.071 . 1 . . . . . 20 LYS CB . 51091 1 194 . 1 . 1 20 20 LYS CG C 13 25.064 0.032 . 1 . . . . . 20 LYS CG . 51091 1 195 . 1 . 1 20 20 LYS CD C 13 28.993 0.099 . 1 . . . . . 20 LYS CD . 51091 1 196 . 1 . 1 20 20 LYS CE C 13 42.238 0.022 . 1 . . . . . 20 LYS CE . 51091 1 197 . 1 . 1 20 20 LYS N N 15 130.069 0.659 . 1 . . . . . 20 LYS N . 51091 1 198 . 1 . 1 21 21 LYS H H 1 8.834 0.004 . 1 . . . . . 21 LYS H . 51091 1 199 . 1 . 1 21 21 LYS HA H 1 4.239 0.005 . 1 . . . . . 21 LYS HA . 51091 1 200 . 1 . 1 21 21 LYS HB2 H 1 1.916 0.019 . 2 . . . . . 21 LYS HB2 . 51091 1 201 . 1 . 1 21 21 LYS HB3 H 1 1.891 0.006 . 2 . . . . . 21 LYS HB3 . 51091 1 202 . 1 . 1 21 21 LYS HG2 H 1 1.565 0.011 . 2 . . . . . 21 LYS HG2 . 51091 1 203 . 1 . 1 21 21 LYS HG3 H 1 1.353 0.002 . 2 . . . . . 21 LYS HG3 . 51091 1 204 . 1 . 1 21 21 LYS HD2 H 1 1.715 0.021 . 2 . . . . . 21 LYS HD2 . 51091 1 205 . 1 . 1 21 21 LYS HD3 H 1 1.690 0.009 . 2 . . . . . 21 LYS HD3 . 51091 1 206 . 1 . 1 21 21 LYS HE2 H 1 2.987 0.013 . 2 . . . . . 21 LYS HE2 . 51091 1 207 . 1 . 1 21 21 LYS HE3 H 1 2.973 0.008 . 2 . . . . . 21 LYS HE3 . 51091 1 208 . 1 . 1 21 21 LYS C C 13 176.132 0.000 . 1 . . . . . 21 LYS C . 51091 1 209 . 1 . 1 21 21 LYS CA C 13 57.812 0.062 . 1 . . . . . 21 LYS CA . 51091 1 210 . 1 . 1 21 21 LYS CB C 13 32.848 0.084 . 1 . . . . . 21 LYS CB . 51091 1 211 . 1 . 1 21 21 LYS CG C 13 25.336 0.026 . 1 . . . . . 21 LYS CG . 51091 1 212 . 1 . 1 21 21 LYS CD C 13 29.680 0.092 . 1 . . . . . 21 LYS CD . 51091 1 213 . 1 . 1 21 21 LYS CE C 13 41.815 0.160 . 1 . . . . . 21 LYS CE . 51091 1 214 . 1 . 1 21 21 LYS N N 15 124.191 0.089 . 1 . . . . . 21 LYS N . 51091 1 215 . 1 . 1 22 22 ARG H H 1 8.337 0.006 . 1 . . . . . 22 ARG H . 51091 1 216 . 1 . 1 22 22 ARG HA H 1 4.570 0.006 . 1 . . . . . 22 ARG HA . 51091 1 217 . 1 . 1 22 22 ARG HB2 H 1 1.646 0.005 . 2 . . . . . 22 ARG HB2 . 51091 1 218 . 1 . 1 22 22 ARG HB3 H 1 1.312 0.007 . 2 . . . . . 22 ARG HB3 . 51091 1 219 . 1 . 1 22 22 ARG HG2 H 1 1.507 0.001 . 2 . . . . . 22 ARG HG2 . 51091 1 220 . 1 . 1 22 22 ARG HG3 H 1 1.440 0.002 . 2 . . . . . 22 ARG HG3 . 51091 1 221 . 1 . 1 22 22 ARG HD2 H 1 3.116 0.002 . 1 . . . . . 22 ARG HD2 . 51091 1 222 . 1 . 1 22 22 ARG HD3 H 1 3.116 0.002 . 1 . . . . . 22 ARG HD3 . 51091 1 223 . 1 . 1 22 22 ARG C C 13 174.902 0.000 . 1 . . . . . 22 ARG C . 51091 1 224 . 1 . 1 22 22 ARG CA C 13 54.578 0.025 . 1 . . . . . 22 ARG CA . 51091 1 225 . 1 . 1 22 22 ARG CB C 13 31.214 0.083 . 1 . . . . . 22 ARG CB . 51091 1 226 . 1 . 1 22 22 ARG CG C 13 26.695 0.036 . 1 . . . . . 22 ARG CG . 51091 1 227 . 1 . 1 22 22 ARG CD C 13 43.488 0.018 . 1 . . . . . 22 ARG CD . 51091 1 228 . 1 . 1 22 22 ARG N N 15 126.014 0.132 . 1 . . . . . 22 ARG N . 51091 1 229 . 1 . 1 23 23 GLY H H 1 8.233 0.002 . 1 . . . . . 23 GLY H . 51091 1 230 . 1 . 1 23 23 GLY HA2 H 1 3.738 0.009 . 2 . . . . . 23 GLY HA2 . 51091 1 231 . 1 . 1 23 23 GLY HA3 H 1 4.029 0.013 . 2 . . . . . 23 GLY HA3 . 51091 1 232 . 1 . 1 23 23 GLY C C 13 173.115 0.000 . 1 . . . . . 23 GLY C . 51091 1 233 . 1 . 1 23 23 GLY CA C 13 45.002 0.099 . 1 . . . . . 23 GLY CA . 51091 1 234 . 1 . 1 23 23 GLY N N 15 111.551 0.070 . 1 . . . . . 23 GLY N . 51091 1 235 . 1 . 1 24 24 LEU H H 1 8.242 0.001 . 1 . . . . . 24 LEU H . 51091 1 236 . 1 . 1 24 24 LEU HA H 1 3.924 0.009 . 1 . . . . . 24 LEU HA . 51091 1 237 . 1 . 1 24 24 LEU HB2 H 1 0.960 0.005 . 2 . . . . . 24 LEU HB2 . 51091 1 238 . 1 . 1 24 24 LEU HB3 H 1 0.696 0.010 . 2 . . . . . 24 LEU HB3 . 51091 1 239 . 1 . 1 24 24 LEU HG H 1 2.151 0.000 . 1 . . . . . 24 LEU HG . 51091 1 240 . 1 . 1 24 24 LEU HD11 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD11 . 51091 1 241 . 1 . 1 24 24 LEU HD12 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD12 . 51091 1 242 . 1 . 1 24 24 LEU HD13 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD13 . 51091 1 243 . 1 . 1 24 24 LEU HD21 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD21 . 51091 1 244 . 1 . 1 24 24 LEU HD22 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD22 . 51091 1 245 . 1 . 1 24 24 LEU HD23 H 1 1.388 0.002 . 1 . . . . . 24 LEU HD23 . 51091 1 246 . 1 . 1 24 24 LEU C C 13 178.074 0.000 . 1 . . . . . 24 LEU C . 51091 1 247 . 1 . 1 24 24 LEU CA C 13 56.923 0.076 . 1 . . . . . 24 LEU CA . 51091 1 248 . 1 . 1 24 24 LEU CB C 13 42.108 0.047 . 1 . . . . . 24 LEU CB . 51091 1 249 . 1 . 1 24 24 LEU CD1 C 13 26.890 0.077 . 1 . . . . . 24 LEU CD1 . 51091 1 250 . 1 . 1 24 24 LEU CD2 C 13 26.903 0.074 . 1 . . . . . 24 LEU CD2 . 51091 1 251 . 1 . 1 24 24 LEU N N 15 119.790 0.068 . 1 . . . . . 24 LEU N . 51091 1 252 . 1 . 1 25 25 TYR H H 1 8.100 0.001 . 1 . . . . . 25 TYR H . 51091 1 253 . 1 . 1 25 25 TYR HA H 1 4.860 0.012 . 1 . . . . . 25 TYR HA . 51091 1 254 . 1 . 1 25 25 TYR HB2 H 1 3.373 0.014 . 2 . . . . . 25 TYR HB2 . 51091 1 255 . 1 . 1 25 25 TYR HB3 H 1 2.756 0.010 . 2 . . . . . 25 TYR HB3 . 51091 1 256 . 1 . 1 25 25 TYR HD1 H 1 7.089 0.004 . 1 . . . . . 25 TYR HD1 . 51091 1 257 . 1 . 1 25 25 TYR HD2 H 1 7.089 0.004 . 1 . . . . . 25 TYR HD2 . 51091 1 258 . 1 . 1 25 25 TYR HE1 H 1 6.772 0.003 . 1 . . . . . 25 TYR HE1 . 51091 1 259 . 1 . 1 25 25 TYR HE2 H 1 6.772 0.003 . 1 . . . . . 25 TYR HE2 . 51091 1 260 . 1 . 1 25 25 TYR C C 13 175.720 0.000 . 1 . . . . . 25 TYR C . 51091 1 261 . 1 . 1 25 25 TYR CA C 13 56.913 0.088 . 1 . . . . . 25 TYR CA . 51091 1 262 . 1 . 1 25 25 TYR CB C 13 39.864 0.195 . 1 . . . . . 25 TYR CB . 51091 1 263 . 1 . 1 25 25 TYR CD1 C 13 133.025 0.000 . 1 . . . . . 25 TYR CD1 . 51091 1 264 . 1 . 1 25 25 TYR CD2 C 13 133.025 0.000 . 1 . . . . . 25 TYR CD2 . 51091 1 265 . 1 . 1 25 25 TYR CE1 C 13 114.288 0.000 . 1 . . . . . 25 TYR CE1 . 51091 1 266 . 1 . 1 25 25 TYR CE2 C 13 114.288 0.000 . 1 . . . . . 25 TYR CE2 . 51091 1 267 . 1 . 1 25 25 TYR N N 15 111.777 0.067 . 1 . . . . . 25 TYR N . 51091 1 268 . 1 . 1 26 26 SER H H 1 7.274 0.002 . 1 . . . . . 26 SER H . 51091 1 269 . 1 . 1 26 26 SER HA H 1 4.919 0.014 . 1 . . . . . 26 SER HA . 51091 1 270 . 1 . 1 26 26 SER HB2 H 1 3.791 0.007 . 1 . . . . . 26 SER HB2 . 51091 1 271 . 1 . 1 26 26 SER HB3 H 1 3.791 0.007 . 1 . . . . . 26 SER HB3 . 51091 1 272 . 1 . 1 26 26 SER C C 13 171.746 0.000 . 1 . . . . . 26 SER C . 51091 1 273 . 1 . 1 26 26 SER CA C 13 56.765 0.090 . 1 . . . . . 26 SER CA . 51091 1 274 . 1 . 1 26 26 SER CB C 13 64.934 0.111 . 1 . . . . . 26 SER CB . 51091 1 275 . 1 . 1 26 26 SER N N 15 113.789 0.048 . 1 . . . . . 26 SER N . 51091 1 276 . 1 . 1 27 27 TYR H H 1 8.020 0.002 . 1 . . . . . 27 TYR H . 51091 1 277 . 1 . 1 27 27 TYR HA H 1 5.341 0.009 . 1 . . . . . 27 TYR HA . 51091 1 278 . 1 . 1 27 27 TYR HB2 H 1 2.981 0.012 . 2 . . . . . 27 TYR HB2 . 51091 1 279 . 1 . 1 27 27 TYR HB3 H 1 2.484 0.011 . 2 . . . . . 27 TYR HB3 . 51091 1 280 . 1 . 1 27 27 TYR HD1 H 1 6.750 0.011 . 1 . . . . . 27 TYR HD1 . 51091 1 281 . 1 . 1 27 27 TYR HD2 H 1 6.750 0.011 . 1 . . . . . 27 TYR HD2 . 51091 1 282 . 1 . 1 27 27 TYR HE1 H 1 6.798 0.004 . 1 . . . . . 27 TYR HE1 . 51091 1 283 . 1 . 1 27 27 TYR HE2 H 1 6.798 0.004 . 1 . . . . . 27 TYR HE2 . 51091 1 284 . 1 . 1 27 27 TYR C C 13 173.252 0.000 . 1 . . . . . 27 TYR C . 51091 1 285 . 1 . 1 27 27 TYR CA C 13 55.895 0.100 . 1 . . . . . 27 TYR CA . 51091 1 286 . 1 . 1 27 27 TYR CB C 13 42.198 0.056 . 1 . . . . . 27 TYR CB . 51091 1 287 . 1 . 1 27 27 TYR CD1 C 13 133.891 0.000 . 1 . . . . . 27 TYR CD1 . 51091 1 288 . 1 . 1 27 27 TYR CD2 C 13 133.891 0.000 . 1 . . . . . 27 TYR CD2 . 51091 1 289 . 1 . 1 27 27 TYR CE1 C 13 118.088 0.000 . 1 . . . . . 27 TYR CE1 . 51091 1 290 . 1 . 1 27 27 TYR CE2 C 13 118.088 0.000 . 1 . . . . . 27 TYR CE2 . 51091 1 291 . 1 . 1 27 27 TYR N N 15 117.637 0.058 . 1 . . . . . 27 TYR N . 51091 1 292 . 1 . 1 28 28 LYS H H 1 9.154 0.003 . 1 . . . . . 28 LYS H . 51091 1 293 . 1 . 1 28 28 LYS HA H 1 4.438 0.008 . 1 . . . . . 28 LYS HA . 51091 1 294 . 1 . 1 28 28 LYS HB2 H 1 1.610 0.008 . 2 . . . . . 28 LYS HB2 . 51091 1 295 . 1 . 1 28 28 LYS HB3 H 1 1.546 0.011 . 2 . . . . . 28 LYS HB3 . 51091 1 296 . 1 . 1 28 28 LYS HD2 H 1 1.540 0.017 . 1 . . . . . 28 LYS HD2 . 51091 1 297 . 1 . 1 28 28 LYS HD3 H 1 1.540 0.017 . 1 . . . . . 28 LYS HD3 . 51091 1 298 . 1 . 1 28 28 LYS HE2 H 1 2.595 0.014 . 2 . . . . . 28 LYS HE2 . 51091 1 299 . 1 . 1 28 28 LYS HE3 H 1 2.546 0.001 . 2 . . . . . 28 LYS HE3 . 51091 1 300 . 1 . 1 28 28 LYS C C 13 175.007 0.000 . 1 . . . . . 28 LYS C . 51091 1 301 . 1 . 1 28 28 LYS CA C 13 55.049 0.085 . 1 . . . . . 28 LYS CA . 51091 1 302 . 1 . 1 28 28 LYS CB C 13 36.799 0.139 . 1 . . . . . 28 LYS CB . 51091 1 303 . 1 . 1 28 28 LYS CD C 13 29.309 0.194 . 1 . . . . . 28 LYS CD . 51091 1 304 . 1 . 1 28 28 LYS CE C 13 42.219 0.001 . 1 . . . . . 28 LYS CE . 51091 1 305 . 1 . 1 28 28 LYS N N 15 120.979 0.084 . 1 . . . . . 28 LYS N . 51091 1 306 . 1 . 1 29 29 CYS H H 1 9.137 0.002 . 1 . . . . . 29 CYS H . 51091 1 307 . 1 . 1 29 29 CYS HA H 1 5.383 0.015 . 1 . . . . . 29 CYS HA . 51091 1 308 . 1 . 1 29 29 CYS HB2 H 1 3.132 0.017 . 2 . . . . . 29 CYS HB2 . 51091 1 309 . 1 . 1 29 29 CYS HB3 H 1 2.722 0.006 . 2 . . . . . 29 CYS HB3 . 51091 1 310 . 1 . 1 29 29 CYS C C 13 173.711 0.000 . 1 . . . . . 29 CYS C . 51091 1 311 . 1 . 1 29 29 CYS CA C 13 54.543 0.133 . 1 . . . . . 29 CYS CA . 51091 1 312 . 1 . 1 29 29 CYS CB C 13 42.747 0.118 . 1 . . . . . 29 CYS CB . 51091 1 313 . 1 . 1 29 29 CYS N N 15 121.805 0.059 . 1 . . . . . 29 CYS N . 51091 1 314 . 1 . 1 30 30 TYR H H 1 9.450 0.003 . 1 . . . . . 30 TYR H . 51091 1 315 . 1 . 1 30 30 TYR HA H 1 4.573 0.004 . 1 . . . . . 30 TYR HA . 51091 1 316 . 1 . 1 30 30 TYR HB2 H 1 3.121 0.024 . 2 . . . . . 30 TYR HB2 . 51091 1 317 . 1 . 1 30 30 TYR HB3 H 1 2.941 0.004 . 2 . . . . . 30 TYR HB3 . 51091 1 318 . 1 . 1 30 30 TYR HD1 H 1 7.213 0.004 . 1 . . . . . 30 TYR HD1 . 51091 1 319 . 1 . 1 30 30 TYR HD2 H 1 7.213 0.004 . 1 . . . . . 30 TYR HD2 . 51091 1 320 . 1 . 1 30 30 TYR HE1 H 1 6.769 0.005 . 1 . . . . . 30 TYR HE1 . 51091 1 321 . 1 . 1 30 30 TYR HE2 H 1 6.769 0.005 . 1 . . . . . 30 TYR HE2 . 51091 1 322 . 1 . 1 30 30 TYR C C 13 176.463 0.000 . 1 . . . . . 30 TYR C . 51091 1 323 . 1 . 1 30 30 TYR CA C 13 57.544 0.122 . 1 . . . . . 30 TYR CA . 51091 1 324 . 1 . 1 30 30 TYR CB C 13 37.607 0.050 . 1 . . . . . 30 TYR CB . 51091 1 325 . 1 . 1 30 30 TYR CD1 C 13 133.154 0.000 . 1 . . . . . 30 TYR CD1 . 51091 1 326 . 1 . 1 30 30 TYR CD2 C 13 133.154 0.000 . 1 . . . . . 30 TYR CD2 . 51091 1 327 . 1 . 1 30 30 TYR CE1 C 13 118.168 0.000 . 1 . . . . . 30 TYR CE1 . 51091 1 328 . 1 . 1 30 30 TYR CE2 C 13 118.168 0.000 . 1 . . . . . 30 TYR CE2 . 51091 1 329 . 1 . 1 30 30 TYR N N 15 125.127 0.066 . 1 . . . . . 30 TYR N . 51091 1 330 . 1 . 1 31 31 CYS H H 1 8.876 0.003 . 1 . . . . . 31 CYS H . 51091 1 331 . 1 . 1 31 31 CYS HA H 1 4.743 0.013 . 1 . . . . . 31 CYS HA . 51091 1 332 . 1 . 1 31 31 CYS HB2 H 1 3.309 0.024 . 2 . . . . . 31 CYS HB2 . 51091 1 333 . 1 . 1 31 31 CYS HB3 H 1 2.683 0.010 . 2 . . . . . 31 CYS HB3 . 51091 1 334 . 1 . 1 31 31 CYS C C 13 175.920 0.000 . 1 . . . . . 31 CYS C . 51091 1 335 . 1 . 1 31 31 CYS CA C 13 53.397 0.036 . 1 . . . . . 31 CYS CA . 51091 1 336 . 1 . 1 31 31 CYS CB C 13 38.072 0.088 . 1 . . . . . 31 CYS CB . 51091 1 337 . 1 . 1 31 31 CYS N N 15 123.774 0.073 . 1 . . . . . 31 CYS N . 51091 1 338 . 1 . 1 32 32 ARG H H 1 8.509 0.002 . 1 . . . . . 32 ARG H . 51091 1 339 . 1 . 1 32 32 ARG HA H 1 4.431 0.006 . 1 . . . . . 32 ARG HA . 51091 1 340 . 1 . 1 32 32 ARG HB2 H 1 2.101 0.010 . 2 . . . . . 32 ARG HB2 . 51091 1 341 . 1 . 1 32 32 ARG HB3 H 1 1.679 0.009 . 2 . . . . . 32 ARG HB3 . 51091 1 342 . 1 . 1 32 32 ARG HG2 H 1 1.682 0.001 . 1 . . . . . 32 ARG HG2 . 51091 1 343 . 1 . 1 32 32 ARG HG3 H 1 1.682 0.001 . 1 . . . . . 32 ARG HG3 . 51091 1 344 . 1 . 1 32 32 ARG HD2 H 1 3.289 0.001 . 1 . . . . . 32 ARG HD2 . 51091 1 345 . 1 . 1 32 32 ARG HD3 H 1 3.289 0.001 . 1 . . . . . 32 ARG HD3 . 51091 1 346 . 1 . 1 32 32 ARG C C 13 175.432 0.000 . 1 . . . . . 32 ARG C . 51091 1 347 . 1 . 1 32 32 ARG CA C 13 56.113 0.081 . 1 . . . . . 32 ARG CA . 51091 1 348 . 1 . 1 32 32 ARG CB C 13 31.259 0.073 . 1 . . . . . 32 ARG CB . 51091 1 349 . 1 . 1 32 32 ARG CG C 13 28.028 0.020 . 1 . . . . . 32 ARG CG . 51091 1 350 . 1 . 1 32 32 ARG CD C 13 43.660 0.005 . 1 . . . . . 32 ARG CD . 51091 1 351 . 1 . 1 32 32 ARG N N 15 121.085 0.055 . 1 . . . . . 32 ARG N . 51091 1 352 . 1 . 1 33 33 LYS H H 1 8.369 0.008 . 1 . . . . . 33 LYS H . 51091 1 353 . 1 . 1 33 33 LYS HA H 1 3.865 0.009 . 1 . . . . . 33 LYS HA . 51091 1 354 . 1 . 1 33 33 LYS HB2 H 1 1.731 0.004 . 2 . . . . . 33 LYS HB2 . 51091 1 355 . 1 . 1 33 33 LYS HB3 H 1 1.614 0.004 . 2 . . . . . 33 LYS HB3 . 51091 1 356 . 1 . 1 33 33 LYS HG2 H 1 1.088 0.004 . 1 . . . . . 33 LYS HG2 . 51091 1 357 . 1 . 1 33 33 LYS HG3 H 1 1.088 0.004 . 1 . . . . . 33 LYS HG3 . 51091 1 358 . 1 . 1 33 33 LYS HD2 H 1 1.546 0.007 . 2 . . . . . 33 LYS HD2 . 51091 1 359 . 1 . 1 33 33 LYS HD3 H 1 1.537 0.006 . 2 . . . . . 33 LYS HD3 . 51091 1 360 . 1 . 1 33 33 LYS HE2 H 1 2.712 0.002 . 2 . . . . . 33 LYS HE2 . 51091 1 361 . 1 . 1 33 33 LYS HE3 H 1 2.605 0.002 . 2 . . . . . 33 LYS HE3 . 51091 1 362 . 1 . 1 33 33 LYS C C 13 176.029 0.000 . 1 . . . . . 33 LYS C . 51091 1 363 . 1 . 1 33 33 LYS CA C 13 58.495 0.083 . 1 . . . . . 33 LYS CA . 51091 1 364 . 1 . 1 33 33 LYS CB C 13 32.420 0.038 . 1 . . . . . 33 LYS CB . 51091 1 365 . 1 . 1 33 33 LYS CG C 13 24.646 0.026 . 1 . . . . . 33 LYS CG . 51091 1 366 . 1 . 1 33 33 LYS CD C 13 29.337 0.089 . 1 . . . . . 33 LYS CD . 51091 1 367 . 1 . 1 33 33 LYS CE C 13 41.871 0.031 . 1 . . . . . 33 LYS CE . 51091 1 368 . 1 . 1 33 33 LYS N N 15 121.533 0.039 . 1 . . . . . 33 LYS N . 51091 1 369 . 1 . 1 34 34 GLY H H 1 8.406 0.001 . 1 . . . . . 34 GLY H . 51091 1 370 . 1 . 1 34 34 GLY HA2 H 1 2.992 0.010 . 2 . . . . . 34 GLY HA2 . 51091 1 371 . 1 . 1 34 34 GLY HA3 H 1 3.402 0.012 . 2 . . . . . 34 GLY HA3 . 51091 1 372 . 1 . 1 34 34 GLY C C 13 172.658 0.000 . 1 . . . . . 34 GLY C . 51091 1 373 . 1 . 1 34 34 GLY CA C 13 44.526 0.072 . 1 . . . . . 34 GLY CA . 51091 1 374 . 1 . 1 34 34 GLY N N 15 112.673 0.044 . 1 . . . . . 34 GLY N . 51091 1 375 . 1 . 1 35 35 TYR H H 1 7.759 0.002 . 1 . . . . . 35 TYR H . 51091 1 376 . 1 . 1 35 35 TYR HA H 1 5.558 0.007 . 1 . . . . . 35 TYR HA . 51091 1 377 . 1 . 1 35 35 TYR HB2 H 1 2.922 0.017 . 2 . . . . . 35 TYR HB2 . 51091 1 378 . 1 . 1 35 35 TYR HB3 H 1 2.900 0.005 . 2 . . . . . 35 TYR HB3 . 51091 1 379 . 1 . 1 35 35 TYR HD1 H 1 6.882 0.004 . 1 . . . . . 35 TYR HD1 . 51091 1 380 . 1 . 1 35 35 TYR HD2 H 1 6.882 0.004 . 1 . . . . . 35 TYR HD2 . 51091 1 381 . 1 . 1 35 35 TYR HE1 H 1 6.633 0.004 . 1 . . . . . 35 TYR HE1 . 51091 1 382 . 1 . 1 35 35 TYR HE2 H 1 6.633 0.004 . 1 . . . . . 35 TYR HE2 . 51091 1 383 . 1 . 1 35 35 TYR C C 13 175.650 0.000 . 1 . . . . . 35 TYR C . 51091 1 384 . 1 . 1 35 35 TYR CA C 13 56.993 0.193 . 1 . . . . . 35 TYR CA . 51091 1 385 . 1 . 1 35 35 TYR CB C 13 40.086 0.060 . 1 . . . . . 35 TYR CB . 51091 1 386 . 1 . 1 35 35 TYR CD1 C 13 134.062 0.000 . 1 . . . . . 35 TYR CD1 . 51091 1 387 . 1 . 1 35 35 TYR CD2 C 13 134.062 0.000 . 1 . . . . . 35 TYR CD2 . 51091 1 388 . 1 . 1 35 35 TYR CE1 C 13 117.744 0.000 . 1 . . . . . 35 TYR CE1 . 51091 1 389 . 1 . 1 35 35 TYR CE2 C 13 117.744 0.000 . 1 . . . . . 35 TYR CE2 . 51091 1 390 . 1 . 1 35 35 TYR N N 15 117.580 0.056 . 1 . . . . . 35 TYR N . 51091 1 391 . 1 . 1 36 36 THR H H 1 9.015 0.002 . 1 . . . . . 36 THR H . 51091 1 392 . 1 . 1 36 36 THR HA H 1 4.710 0.010 . 1 . . . . . 36 THR HA . 51091 1 393 . 1 . 1 36 36 THR HB H 1 4.132 0.007 . 1 . . . . . 36 THR HB . 51091 1 394 . 1 . 1 36 36 THR HG21 H 1 0.908 0.001 . 1 . . . . . 36 THR HG21 . 51091 1 395 . 1 . 1 36 36 THR HG22 H 1 0.908 0.001 . 1 . . . . . 36 THR HG22 . 51091 1 396 . 1 . 1 36 36 THR HG23 H 1 0.908 0.001 . 1 . . . . . 36 THR HG23 . 51091 1 397 . 1 . 1 36 36 THR C C 13 173.854 0.000 . 1 . . . . . 36 THR C . 51091 1 398 . 1 . 1 36 36 THR CA C 13 60.086 0.069 . 1 . . . . . 36 THR CA . 51091 1 399 . 1 . 1 36 36 THR CB C 13 71.665 0.089 . 1 . . . . . 36 THR CB . 51091 1 400 . 1 . 1 36 36 THR CG2 C 13 20.805 0.033 . 1 . . . . . 36 THR CG2 . 51091 1 401 . 1 . 1 36 36 THR N N 15 112.782 0.055 . 1 . . . . . 36 THR N . 51091 1 402 . 1 . 1 37 37 GLY H H 1 8.124 0.005 . 1 . . . . . 37 GLY H . 51091 1 403 . 1 . 1 37 37 GLY HA2 H 1 4.830 0.016 . 2 . . . . . 37 GLY HA2 . 51091 1 404 . 1 . 1 37 37 GLY HA3 H 1 4.008 0.013 . 2 . . . . . 37 GLY HA3 . 51091 1 405 . 1 . 1 37 37 GLY C C 13 176.798 0.000 . 1 . . . . . 37 GLY C . 51091 1 406 . 1 . 1 37 37 GLY CA C 13 43.835 0.242 . 1 . . . . . 37 GLY CA . 51091 1 407 . 1 . 1 37 37 GLY N N 15 106.960 0.060 . 1 . . . . . 37 GLY N . 51091 1 408 . 1 . 1 38 38 LYS H H 1 9.206 0.002 . 1 . . . . . 38 LYS H . 51091 1 409 . 1 . 1 38 38 LYS HA H 1 3.994 0.011 . 1 . . . . . 38 LYS HA . 51091 1 410 . 1 . 1 38 38 LYS HB2 H 1 1.996 0.009 . 2 . . . . . 38 LYS HB2 . 51091 1 411 . 1 . 1 38 38 LYS HB3 H 1 1.724 0.013 . 2 . . . . . 38 LYS HB3 . 51091 1 412 . 1 . 1 38 38 LYS HG2 H 1 1.448 0.018 . 2 . . . . . 38 LYS HG2 . 51091 1 413 . 1 . 1 38 38 LYS HG3 H 1 1.422 0.018 . 2 . . . . . 38 LYS HG3 . 51091 1 414 . 1 . 1 38 38 LYS HD2 H 1 1.690 0.010 . 1 . . . . . 38 LYS HD2 . 51091 1 415 . 1 . 1 38 38 LYS HD3 H 1 1.690 0.010 . 1 . . . . . 38 LYS HD3 . 51091 1 416 . 1 . 1 38 38 LYS HE2 H 1 2.910 0.002 . 2 . . . . . 38 LYS HE2 . 51091 1 417 . 1 . 1 38 38 LYS HE3 H 1 2.866 0.001 . 2 . . . . . 38 LYS HE3 . 51091 1 418 . 1 . 1 38 38 LYS C C 13 176.480 0.000 . 1 . . . . . 38 LYS C . 51091 1 419 . 1 . 1 38 38 LYS CA C 13 59.742 0.072 . 1 . . . . . 38 LYS CA . 51091 1 420 . 1 . 1 38 38 LYS CB C 13 33.284 0.094 . 1 . . . . . 38 LYS CB . 51091 1 421 . 1 . 1 38 38 LYS CG C 13 24.789 0.095 . 1 . . . . . 38 LYS CG . 51091 1 422 . 1 . 1 38 38 LYS CD C 13 29.504 0.052 . 1 . . . . . 38 LYS CD . 51091 1 423 . 1 . 1 38 38 LYS CE C 13 42.313 0.071 . 1 . . . . . 38 LYS CE . 51091 1 424 . 1 . 1 38 38 LYS N N 15 124.332 0.070 . 1 . . . . . 38 LYS N . 51091 1 425 . 1 . 1 39 39 ASN H H 1 8.461 0.002 . 1 . . . . . 39 ASN H . 51091 1 426 . 1 . 1 39 39 ASN HA H 1 5.533 0.007 . 1 . . . . . 39 ASN HA . 51091 1 427 . 1 . 1 39 39 ASN HB2 H 1 3.477 0.006 . 2 . . . . . 39 ASN HB2 . 51091 1 428 . 1 . 1 39 39 ASN HB3 H 1 2.224 0.007 . 2 . . . . . 39 ASN HB3 . 51091 1 429 . 1 . 1 39 39 ASN C C 13 175.495 0.000 . 1 . . . . . 39 ASN C . 51091 1 430 . 1 . 1 39 39 ASN CA C 13 52.068 0.019 . 1 . . . . . 39 ASN CA . 51091 1 431 . 1 . 1 39 39 ASN CB C 13 39.654 0.085 . 1 . . . . . 39 ASN CB . 51091 1 432 . 1 . 1 39 39 ASN N N 15 111.863 0.073 . 1 . . . . . 39 ASN N . 51091 1 433 . 1 . 1 40 40 CYS H H 1 8.008 0.002 . 1 . . . . . 40 CYS H . 51091 1 434 . 1 . 1 40 40 CYS HA H 1 4.091 0.016 . 1 . . . . . 40 CYS HA . 51091 1 435 . 1 . 1 40 40 CYS HB2 H 1 3.521 0.012 . 2 . . . . . 40 CYS HB2 . 51091 1 436 . 1 . 1 40 40 CYS HB3 H 1 3.184 0.003 . 2 . . . . . 40 CYS HB3 . 51091 1 437 . 1 . 1 40 40 CYS C C 13 174.273 0.000 . 1 . . . . . 40 CYS C . 51091 1 438 . 1 . 1 40 40 CYS CA C 13 54.977 0.084 . 1 . . . . . 40 CYS CA . 51091 1 439 . 1 . 1 40 40 CYS CB C 13 36.512 0.033 . 1 . . . . . 40 CYS CB . 51091 1 440 . 1 . 1 40 40 CYS N N 15 113.680 0.042 . 1 . . . . . 40 CYS N . 51091 1 441 . 1 . 1 41 41 GLN H H 1 9.727 0.001 . 1 . . . . . 41 GLN H . 51091 1 442 . 1 . 1 41 41 GLN HA H 1 3.919 0.008 . 1 . . . . . 41 GLN HA . 51091 1 443 . 1 . 1 41 41 GLN HB2 H 1 2.005 0.011 . 2 . . . . . 41 GLN HB2 . 51091 1 444 . 1 . 1 41 41 GLN HB3 H 1 1.539 0.006 . 2 . . . . . 41 GLN HB3 . 51091 1 445 . 1 . 1 41 41 GLN C C 13 175.564 0.000 . 1 . . . . . 41 GLN C . 51091 1 446 . 1 . 1 41 41 GLN CA C 13 57.179 0.132 . 1 . . . . . 41 GLN CA . 51091 1 447 . 1 . 1 41 41 GLN CB C 13 28.088 0.160 . 1 . . . . . 41 GLN CB . 51091 1 448 . 1 . 1 41 41 GLN N N 15 117.609 0.093 . 1 . . . . . 41 GLN N . 51091 1 449 . 1 . 1 42 42 TYR H H 1 8.736 0.002 . 1 . . . . . 42 TYR H . 51091 1 450 . 1 . 1 42 42 TYR HA H 1 5.094 0.007 . 1 . . . . . 42 TYR HA . 51091 1 451 . 1 . 1 42 42 TYR HB2 H 1 3.041 0.006 . 2 . . . . . 42 TYR HB2 . 51091 1 452 . 1 . 1 42 42 TYR HB3 H 1 2.911 0.002 . 2 . . . . . 42 TYR HB3 . 51091 1 453 . 1 . 1 42 42 TYR HD1 H 1 7.050 0.004 . 1 . . . . . 42 TYR HD1 . 51091 1 454 . 1 . 1 42 42 TYR HD2 H 1 7.050 0.004 . 1 . . . . . 42 TYR HD2 . 51091 1 455 . 1 . 1 42 42 TYR HE1 H 1 6.788 0.003 . 1 . . . . . 42 TYR HE1 . 51091 1 456 . 1 . 1 42 42 TYR HE2 H 1 6.788 0.003 . 1 . . . . . 42 TYR HE2 . 51091 1 457 . 1 . 1 42 42 TYR C C 13 174.081 0.000 . 1 . . . . . 42 TYR C . 51091 1 458 . 1 . 1 42 42 TYR CA C 13 56.586 0.089 . 1 . . . . . 42 TYR CA . 51091 1 459 . 1 . 1 42 42 TYR CB C 13 38.460 0.108 . 1 . . . . . 42 TYR CB . 51091 1 460 . 1 . 1 42 42 TYR CD1 C 13 133.156 0.000 . 1 . . . . . 42 TYR CD1 . 51091 1 461 . 1 . 1 42 42 TYR CD2 C 13 133.156 0.000 . 1 . . . . . 42 TYR CD2 . 51091 1 462 . 1 . 1 42 42 TYR CE1 C 13 118.117 0.000 . 1 . . . . . 42 TYR CE1 . 51091 1 463 . 1 . 1 42 42 TYR CE2 C 13 118.117 0.000 . 1 . . . . . 42 TYR CE2 . 51091 1 464 . 1 . 1 42 42 TYR N N 15 123.759 0.038 . 1 . . . . . 42 TYR N . 51091 1 465 . 1 . 1 43 43 ASN H H 1 8.938 0.002 . 1 . . . . . 43 ASN H . 51091 1 466 . 1 . 1 43 43 ASN HA H 1 4.677 0.016 . 1 . . . . . 43 ASN HA . 51091 1 467 . 1 . 1 43 43 ASN HB2 H 1 3.380 0.010 . 2 . . . . . 43 ASN HB2 . 51091 1 468 . 1 . 1 43 43 ASN HB3 H 1 2.746 0.021 . 2 . . . . . 43 ASN HB3 . 51091 1 469 . 1 . 1 43 43 ASN C C 13 176.174 0.000 . 1 . . . . . 43 ASN C . 51091 1 470 . 1 . 1 43 43 ASN CA C 13 51.965 0.026 . 1 . . . . . 43 ASN CA . 51091 1 471 . 1 . 1 43 43 ASN CB C 13 40.111 0.139 . 1 . . . . . 43 ASN CB . 51091 1 472 . 1 . 1 43 43 ASN N N 15 121.385 0.108 . 1 . . . . . 43 ASN N . 51091 1 473 . 1 . 1 44 44 ALA H H 1 8.872 0.002 . 1 . . . . . 44 ALA H . 51091 1 474 . 1 . 1 44 44 ALA HA H 1 4.166 0.008 . 1 . . . . . 44 ALA HA . 51091 1 475 . 1 . 1 44 44 ALA HB1 H 1 1.600 0.009 . 1 . . . . . 44 ALA HB1 . 51091 1 476 . 1 . 1 44 44 ALA HB2 H 1 1.600 0.009 . 1 . . . . . 44 ALA HB2 . 51091 1 477 . 1 . 1 44 44 ALA HB3 H 1 1.600 0.009 . 1 . . . . . 44 ALA HB3 . 51091 1 478 . 1 . 1 44 44 ALA C C 13 176.844 0.000 . 1 . . . . . 44 ALA C . 51091 1 479 . 1 . 1 44 44 ALA CA C 13 54.663 0.043 . 1 . . . . . 44 ALA CA . 51091 1 480 . 1 . 1 44 44 ALA CB C 13 20.054 0.076 . 1 . . . . . 44 ALA CB . 51091 1 481 . 1 . 1 44 44 ALA N N 15 127.047 0.086 . 1 . . . . . 44 ALA N . 51091 1 482 . 1 . 1 45 45 CYS H H 1 8.056 0.002 . 1 . . . . . 45 CYS H . 51091 1 483 . 1 . 1 45 45 CYS HA H 1 5.000 0.014 . 1 . . . . . 45 CYS HA . 51091 1 484 . 1 . 1 45 45 CYS HB2 H 1 3.189 0.008 . 2 . . . . . 45 CYS HB2 . 51091 1 485 . 1 . 1 45 45 CYS HB3 H 1 2.395 0.008 . 2 . . . . . 45 CYS HB3 . 51091 1 486 . 1 . 1 45 45 CYS C C 13 173.873 0.000 . 1 . . . . . 45 CYS C . 51091 1 487 . 1 . 1 45 45 CYS CA C 13 52.113 0.030 . 1 . . . . . 45 CYS CA . 51091 1 488 . 1 . 1 45 45 CYS CB C 13 39.302 0.037 . 1 . . . . . 45 CYS CB . 51091 1 489 . 1 . 1 45 45 CYS N N 15 107.730 0.076 . 1 . . . . . 45 CYS N . 51091 1 490 . 1 . 1 46 46 PHE H H 1 7.435 0.001 . 1 . . . . . 46 PHE H . 51091 1 491 . 1 . 1 46 46 PHE HA H 1 4.551 0.002 . 1 . . . . . 46 PHE HA . 51091 1 492 . 1 . 1 46 46 PHE HB2 H 1 2.946 0.006 . 2 . . . . . 46 PHE HB2 . 51091 1 493 . 1 . 1 46 46 PHE HB3 H 1 2.774 0.002 . 2 . . . . . 46 PHE HB3 . 51091 1 494 . 1 . 1 46 46 PHE HD1 H 1 7.249 0.004 . 1 . . . . . 46 PHE HD1 . 51091 1 495 . 1 . 1 46 46 PHE HD2 H 1 7.249 0.004 . 1 . . . . . 46 PHE HD2 . 51091 1 496 . 1 . 1 46 46 PHE HE1 H 1 7.386 0.004 . 1 . . . . . 46 PHE HE1 . 51091 1 497 . 1 . 1 46 46 PHE HE2 H 1 7.386 0.004 . 1 . . . . . 46 PHE HE2 . 51091 1 498 . 1 . 1 46 46 PHE HZ H 1 7.339 0.004 . 1 . . . . . 46 PHE HZ . 51091 1 499 . 1 . 1 46 46 PHE CA C 13 56.158 0.033 . 1 . . . . . 46 PHE CA . 51091 1 500 . 1 . 1 46 46 PHE CB C 13 42.485 0.120 . 1 . . . . . 46 PHE CB . 51091 1 501 . 1 . 1 46 46 PHE CD1 C 13 131.587 0.008 . 1 . . . . . 46 PHE CD1 . 51091 1 502 . 1 . 1 46 46 PHE CD2 C 13 131.587 0.008 . 1 . . . . . 46 PHE CD2 . 51091 1 503 . 1 . 1 46 46 PHE CE1 C 13 131.583 0.022 . 1 . . . . . 46 PHE CE1 . 51091 1 504 . 1 . 1 46 46 PHE CE2 C 13 131.583 0.022 . 1 . . . . . 46 PHE CE2 . 51091 1 505 . 1 . 1 46 46 PHE CZ C 13 130.054 0.020 . 1 . . . . . 46 PHE CZ . 51091 1 506 . 1 . 1 46 46 PHE N N 15 121.709 0.367 . 1 . . . . . 46 PHE N . 51091 1 507 . 1 . 1 47 47 PRO HA H 1 3.779 0.006 . 1 . . . . . 47 PRO HA . 51091 1 508 . 1 . 1 47 47 PRO HB2 H 1 2.026 0.005 . 2 . . . . . 47 PRO HB2 . 51091 1 509 . 1 . 1 47 47 PRO HB3 H 1 1.649 0.016 . 2 . . . . . 47 PRO HB3 . 51091 1 510 . 1 . 1 47 47 PRO HG2 H 1 1.681 0.017 . 2 . . . . . 47 PRO HG2 . 51091 1 511 . 1 . 1 47 47 PRO HG3 H 1 1.517 0.003 . 2 . . . . . 47 PRO HG3 . 51091 1 512 . 1 . 1 47 47 PRO HD2 H 1 3.396 0.002 . 2 . . . . . 47 PRO HD2 . 51091 1 513 . 1 . 1 47 47 PRO HD3 H 1 3.343 0.013 . 2 . . . . . 47 PRO HD3 . 51091 1 514 . 1 . 1 47 47 PRO C C 13 175.493 0.000 . 1 . . . . . 47 PRO C . 51091 1 515 . 1 . 1 47 47 PRO CA C 13 62.761 0.090 . 1 . . . . . 47 PRO CA . 51091 1 516 . 1 . 1 47 47 PRO CB C 13 34.021 0.069 . 1 . . . . . 47 PRO CB . 51091 1 517 . 1 . 1 47 47 PRO CG C 13 25.641 0.074 . 1 . . . . . 47 PRO CG . 51091 1 518 . 1 . 1 47 47 PRO CD C 13 49.912 0.023 . 1 . . . . . 47 PRO CD . 51091 1 519 . 1 . 1 48 48 ASN H H 1 8.591 0.002 . 1 . . . . . 48 ASN H . 51091 1 520 . 1 . 1 48 48 ASN HA H 1 4.352 0.001 . 1 . . . . . 48 ASN HA . 51091 1 521 . 1 . 1 48 48 ASN HB2 H 1 2.903 0.007 . 2 . . . . . 48 ASN HB2 . 51091 1 522 . 1 . 1 48 48 ASN HB3 H 1 2.838 0.003 . 2 . . . . . 48 ASN HB3 . 51091 1 523 . 1 . 1 48 48 ASN C C 13 175.513 0.000 . 1 . . . . . 48 ASN C . 51091 1 524 . 1 . 1 48 48 ASN CA C 13 51.341 0.000 . 1 . . . . . 48 ASN CA . 51091 1 525 . 1 . 1 48 48 ASN CB C 13 38.369 0.150 . 1 . . . . . 48 ASN CB . 51091 1 526 . 1 . 1 48 48 ASN N N 15 122.346 0.272 . 1 . . . . . 48 ASN N . 51091 1 527 . 1 . 1 49 49 PRO HA H 1 4.250 0.006 . 1 . . . . . 49 PRO HA . 51091 1 528 . 1 . 1 49 49 PRO HB2 H 1 1.695 0.021 . 2 . . . . . 49 PRO HB2 . 51091 1 529 . 1 . 1 49 49 PRO HB3 H 1 1.416 0.007 . 2 . . . . . 49 PRO HB3 . 51091 1 530 . 1 . 1 49 49 PRO HG2 H 1 0.808 0.010 . 2 . . . . . 49 PRO HG2 . 51091 1 531 . 1 . 1 49 49 PRO HG3 H 1 1.110 0.004 . 2 . . . . . 49 PRO HG3 . 51091 1 532 . 1 . 1 49 49 PRO HD2 H 1 4.018 0.004 . 2 . . . . . 49 PRO HD2 . 51091 1 533 . 1 . 1 49 49 PRO HD3 H 1 3.811 0.007 . 2 . . . . . 49 PRO HD3 . 51091 1 534 . 1 . 1 49 49 PRO C C 13 176.002 0.000 . 1 . . . . . 49 PRO C . 51091 1 535 . 1 . 1 49 49 PRO CA C 13 63.082 0.037 . 1 . . . . . 49 PRO CA . 51091 1 536 . 1 . 1 49 49 PRO CB C 13 32.407 0.087 . 1 . . . . . 49 PRO CB . 51091 1 537 . 1 . 1 49 49 PRO CG C 13 25.404 0.127 . 1 . . . . . 49 PRO CG . 51091 1 538 . 1 . 1 49 49 PRO CD C 13 51.484 0.084 . 1 . . . . . 49 PRO CD . 51091 1 539 . 1 . 1 50 50 CYS H H 1 7.767 0.001 . 1 . . . . . 50 CYS H . 51091 1 540 . 1 . 1 50 50 CYS HA H 1 4.213 0.007 . 1 . . . . . 50 CYS HA . 51091 1 541 . 1 . 1 50 50 CYS HB2 H 1 2.741 0.007 . 2 . . . . . 50 CYS HB2 . 51091 1 542 . 1 . 1 50 50 CYS HB3 H 1 2.299 0.010 . 2 . . . . . 50 CYS HB3 . 51091 1 543 . 1 . 1 50 50 CYS C C 13 173.832 0.000 . 1 . . . . . 50 CYS C . 51091 1 544 . 1 . 1 50 50 CYS CA C 13 53.281 0.016 . 1 . . . . . 50 CYS CA . 51091 1 545 . 1 . 1 50 50 CYS CB C 13 38.302 0.060 . 1 . . . . . 50 CYS CB . 51091 1 546 . 1 . 1 50 50 CYS N N 15 118.824 0.041 . 1 . . . . . 50 CYS N . 51091 1 547 . 1 . 1 51 51 LEU H H 1 8.489 0.002 . 1 . . . . . 51 LEU H . 51091 1 548 . 1 . 1 51 51 LEU HA H 1 4.224 0.007 . 1 . . . . . 51 LEU HA . 51091 1 549 . 1 . 1 51 51 LEU HB2 H 1 1.356 0.004 . 2 . . . . . 51 LEU HB2 . 51091 1 550 . 1 . 1 51 51 LEU HB3 H 1 1.565 0.011 . 2 . . . . . 51 LEU HB3 . 51091 1 551 . 1 . 1 51 51 LEU HG H 1 1.724 0.001 . 1 . . . . . 51 LEU HG . 51091 1 552 . 1 . 1 51 51 LEU HD11 H 1 0.840 0.001 . 2 . . . . . 51 LEU HD11 . 51091 1 553 . 1 . 1 51 51 LEU HD12 H 1 0.840 0.001 . 2 . . . . . 51 LEU HD12 . 51091 1 554 . 1 . 1 51 51 LEU HD13 H 1 0.840 0.001 . 2 . . . . . 51 LEU HD13 . 51091 1 555 . 1 . 1 51 51 LEU HD21 H 1 0.738 0.002 . 2 . . . . . 51 LEU HD21 . 51091 1 556 . 1 . 1 51 51 LEU HD22 H 1 0.738 0.002 . 2 . . . . . 51 LEU HD22 . 51091 1 557 . 1 . 1 51 51 LEU HD23 H 1 0.738 0.002 . 2 . . . . . 51 LEU HD23 . 51091 1 558 . 1 . 1 51 51 LEU C C 13 177.121 0.000 . 1 . . . . . 51 LEU C . 51091 1 559 . 1 . 1 51 51 LEU CA C 13 54.397 0.058 . 1 . . . . . 51 LEU CA . 51091 1 560 . 1 . 1 51 51 LEU CB C 13 43.700 0.073 . 1 . . . . . 51 LEU CB . 51091 1 561 . 1 . 1 51 51 LEU CG C 13 27.458 0.054 . 1 . . . . . 51 LEU CG . 51091 1 562 . 1 . 1 51 51 LEU CD1 C 13 22.330 0.010 . 1 . . . . . 51 LEU CD1 . 51091 1 563 . 1 . 1 51 51 LEU CD2 C 13 25.483 0.024 . 1 . . . . . 51 LEU CD2 . 51091 1 564 . 1 . 1 51 51 LEU N N 15 125.472 0.052 . 1 . . . . . 51 LEU N . 51091 1 565 . 1 . 1 52 52 ASN H H 1 8.604 0.004 . 1 . . . . . 52 ASN H . 51091 1 566 . 1 . 1 52 52 ASN HA H 1 3.947 0.015 . 1 . . . . . 52 ASN HA . 51091 1 567 . 1 . 1 52 52 ASN HB2 H 1 1.514 0.006 . 2 . . . . . 52 ASN HB2 . 51091 1 568 . 1 . 1 52 52 ASN HB3 H 1 2.084 0.007 . 2 . . . . . 52 ASN HB3 . 51091 1 569 . 1 . 1 52 52 ASN C C 13 174.005 0.000 . 1 . . . . . 52 ASN C . 51091 1 570 . 1 . 1 52 52 ASN CA C 13 55.026 0.100 . 1 . . . . . 52 ASN CA . 51091 1 571 . 1 . 1 52 52 ASN CB C 13 36.959 0.064 . 1 . . . . . 52 ASN CB . 51091 1 572 . 1 . 1 52 52 ASN N N 15 110.828 0.037 . 1 . . . . . 52 ASN N . 51091 1 573 . 1 . 1 53 53 GLY H H 1 8.259 0.002 . 1 . . . . . 53 GLY H . 51091 1 574 . 1 . 1 53 53 GLY HA2 H 1 4.071 0.012 . 2 . . . . . 53 GLY HA2 . 51091 1 575 . 1 . 1 53 53 GLY HA3 H 1 3.535 0.008 . 2 . . . . . 53 GLY HA3 . 51091 1 576 . 1 . 1 53 53 GLY C C 13 176.220 0.000 . 1 . . . . . 53 GLY C . 51091 1 577 . 1 . 1 53 53 GLY CA C 13 44.998 0.059 . 1 . . . . . 53 GLY CA . 51091 1 578 . 1 . 1 53 53 GLY N N 15 102.568 0.034 . 1 . . . . . 53 GLY N . 51091 1 579 . 1 . 1 54 54 GLY H H 1 7.753 0.001 . 1 . . . . . 54 GLY H . 51091 1 580 . 1 . 1 54 54 GLY HA2 H 1 3.502 0.008 . 2 . . . . . 54 GLY HA2 . 51091 1 581 . 1 . 1 54 54 GLY HA3 H 1 4.420 0.011 . 2 . . . . . 54 GLY HA3 . 51091 1 582 . 1 . 1 54 54 GLY C C 13 171.949 0.000 . 1 . . . . . 54 GLY C . 51091 1 583 . 1 . 1 54 54 GLY CA C 13 46.247 0.064 . 1 . . . . . 54 GLY CA . 51091 1 584 . 1 . 1 54 54 GLY N N 15 106.971 0.040 . 1 . . . . . 54 GLY N . 51091 1 585 . 1 . 1 55 55 THR H H 1 8.607 0.002 . 1 . . . . . 55 THR H . 51091 1 586 . 1 . 1 55 55 THR HA H 1 4.481 0.009 . 1 . . . . . 55 THR HA . 51091 1 587 . 1 . 1 55 55 THR HB H 1 4.065 0.008 . 1 . . . . . 55 THR HB . 51091 1 588 . 1 . 1 55 55 THR HG21 H 1 1.190 0.001 . 1 . . . . . 55 THR HG21 . 51091 1 589 . 1 . 1 55 55 THR HG22 H 1 1.190 0.001 . 1 . . . . . 55 THR HG22 . 51091 1 590 . 1 . 1 55 55 THR HG23 H 1 1.190 0.001 . 1 . . . . . 55 THR HG23 . 51091 1 591 . 1 . 1 55 55 THR C C 13 172.591 0.000 . 1 . . . . . 55 THR C . 51091 1 592 . 1 . 1 55 55 THR CA C 13 61.108 0.125 . 1 . . . . . 55 THR CA . 51091 1 593 . 1 . 1 55 55 THR CB C 13 70.668 0.048 . 1 . . . . . 55 THR CB . 51091 1 594 . 1 . 1 55 55 THR CG2 C 13 21.812 0.093 . 1 . . . . . 55 THR CG2 . 51091 1 595 . 1 . 1 55 55 THR N N 15 115.891 0.045 . 1 . . . . . 55 THR N . 51091 1 596 . 1 . 1 56 56 CYS H H 1 9.101 0.001 . 1 . . . . . 56 CYS H . 51091 1 597 . 1 . 1 56 56 CYS HA H 1 4.917 0.009 . 1 . . . . . 56 CYS HA . 51091 1 598 . 1 . 1 56 56 CYS HB2 H 1 3.173 0.009 . 2 . . . . . 56 CYS HB2 . 51091 1 599 . 1 . 1 56 56 CYS HB3 H 1 2.775 0.006 . 2 . . . . . 56 CYS HB3 . 51091 1 600 . 1 . 1 56 56 CYS C C 13 173.911 0.000 . 1 . . . . . 56 CYS C . 51091 1 601 . 1 . 1 56 56 CYS CA C 13 57.465 0.089 . 1 . . . . . 56 CYS CA . 51091 1 602 . 1 . 1 56 56 CYS CB C 13 38.235 0.136 . 1 . . . . . 56 CYS CB . 51091 1 603 . 1 . 1 56 56 CYS N N 15 128.205 0.055 . 1 . . . . . 56 CYS N . 51091 1 604 . 1 . 1 57 57 GLY H H 1 8.874 0.002 . 1 . . . . . 57 GLY H . 51091 1 605 . 1 . 1 57 57 GLY HA2 H 1 4.370 0.009 . 2 . . . . . 57 GLY HA2 . 51091 1 606 . 1 . 1 57 57 GLY HA3 H 1 3.659 0.066 . 2 . . . . . 57 GLY HA3 . 51091 1 607 . 1 . 1 57 57 GLY C C 13 171.646 0.000 . 1 . . . . . 57 GLY C . 51091 1 608 . 1 . 1 57 57 GLY CA C 13 43.947 0.016 . 1 . . . . . 57 GLY CA . 51091 1 609 . 1 . 1 57 57 GLY N N 15 118.190 0.059 . 1 . . . . . 57 GLY N . 51091 1 610 . 1 . 1 58 58 TYR H H 1 8.318 0.004 . 1 . . . . . 58 TYR H . 51091 1 611 . 1 . 1 58 58 TYR HA H 1 5.221 0.006 . 1 . . . . . 58 TYR HA . 51091 1 612 . 1 . 1 58 58 TYR HB2 H 1 2.945 0.010 . 2 . . . . . 58 TYR HB2 . 51091 1 613 . 1 . 1 58 58 TYR HB3 H 1 2.701 0.014 . 2 . . . . . 58 TYR HB3 . 51091 1 614 . 1 . 1 58 58 TYR HD1 H 1 7.176 0.004 . 1 . . . . . 58 TYR HD1 . 51091 1 615 . 1 . 1 58 58 TYR HD2 H 1 7.176 0.004 . 1 . . . . . 58 TYR HD2 . 51091 1 616 . 1 . 1 58 58 TYR HE1 H 1 6.723 0.005 . 1 . . . . . 58 TYR HE1 . 51091 1 617 . 1 . 1 58 58 TYR HE2 H 1 6.723 0.005 . 1 . . . . . 58 TYR HE2 . 51091 1 618 . 1 . 1 58 58 TYR C C 13 176.708 0.000 . 1 . . . . . 58 TYR C . 51091 1 619 . 1 . 1 58 58 TYR CA C 13 57.263 0.087 . 1 . . . . . 58 TYR CA . 51091 1 620 . 1 . 1 58 58 TYR CB C 13 39.818 0.151 . 1 . . . . . 58 TYR CB . 51091 1 621 . 1 . 1 58 58 TYR CD1 C 13 133.103 0.000 . 1 . . . . . 58 TYR CD1 . 51091 1 622 . 1 . 1 58 58 TYR CD2 C 13 133.103 0.000 . 1 . . . . . 58 TYR CD2 . 51091 1 623 . 1 . 1 58 58 TYR CE1 C 13 118.092 0.000 . 1 . . . . . 58 TYR CE1 . 51091 1 624 . 1 . 1 58 58 TYR CE2 C 13 118.092 0.000 . 1 . . . . . 58 TYR CE2 . 51091 1 625 . 1 . 1 58 58 TYR N N 15 119.330 0.122 . 1 . . . . . 58 TYR N . 51091 1 626 . 1 . 1 59 59 VAL H H 1 7.447 0.002 . 1 . . . . . 59 VAL H . 51091 1 627 . 1 . 1 59 59 VAL HA H 1 4.445 0.012 . 1 . . . . . 59 VAL HA . 51091 1 628 . 1 . 1 59 59 VAL HB H 1 2.125 0.020 . 1 . . . . . 59 VAL HB . 51091 1 629 . 1 . 1 59 59 VAL HG11 H 1 0.496 0.002 . 1 . . . . . 59 VAL HG11 . 51091 1 630 . 1 . 1 59 59 VAL HG12 H 1 0.496 0.002 . 1 . . . . . 59 VAL HG12 . 51091 1 631 . 1 . 1 59 59 VAL HG13 H 1 0.496 0.002 . 1 . . . . . 59 VAL HG13 . 51091 1 632 . 1 . 1 59 59 VAL HG21 H 1 0.760 0.001 . 1 . . . . . 59 VAL HG21 . 51091 1 633 . 1 . 1 59 59 VAL HG22 H 1 0.760 0.001 . 1 . . . . . 59 VAL HG22 . 51091 1 634 . 1 . 1 59 59 VAL HG23 H 1 0.760 0.001 . 1 . . . . . 59 VAL HG23 . 51091 1 635 . 1 . 1 59 59 VAL C C 13 174.760 0.000 . 1 . . . . . 59 VAL C . 51091 1 636 . 1 . 1 59 59 VAL CA C 13 59.799 0.103 . 1 . . . . . 59 VAL CA . 51091 1 637 . 1 . 1 59 59 VAL CB C 13 35.676 0.078 . 1 . . . . . 59 VAL CB . 51091 1 638 . 1 . 1 59 59 VAL CG1 C 13 18.360 0.012 . 1 . . . . . 59 VAL CG1 . 51091 1 639 . 1 . 1 59 59 VAL CG2 C 13 22.788 0.103 . 1 . . . . . 59 VAL CG2 . 51091 1 640 . 1 . 1 59 59 VAL N N 15 114.951 0.080 . 1 . . . . . 59 VAL N . 51091 1 641 . 1 . 1 60 60 TYR H H 1 8.324 0.005 . 1 . . . . . 60 TYR H . 51091 1 642 . 1 . 1 60 60 TYR HA H 1 4.530 0.009 . 1 . . . . . 60 TYR HA . 51091 1 643 . 1 . 1 60 60 TYR HB2 H 1 3.111 0.007 . 2 . . . . . 60 TYR HB2 . 51091 1 644 . 1 . 1 60 60 TYR HB3 H 1 2.963 0.005 . 2 . . . . . 60 TYR HB3 . 51091 1 645 . 1 . 1 60 60 TYR HD1 H 1 7.300 0.004 . 1 . . . . . 60 TYR HD1 . 51091 1 646 . 1 . 1 60 60 TYR HD2 H 1 7.300 0.004 . 1 . . . . . 60 TYR HD2 . 51091 1 647 . 1 . 1 60 60 TYR HE1 H 1 6.946 0.004 . 1 . . . . . 60 TYR HE1 . 51091 1 648 . 1 . 1 60 60 TYR HE2 H 1 6.946 0.004 . 1 . . . . . 60 TYR HE2 . 51091 1 649 . 1 . 1 60 60 TYR C C 13 176.946 0.000 . 1 . . . . . 60 TYR C . 51091 1 650 . 1 . 1 60 60 TYR CA C 13 59.978 0.049 . 1 . . . . . 60 TYR CA . 51091 1 651 . 1 . 1 60 60 TYR CB C 13 38.688 0.157 . 1 . . . . . 60 TYR CB . 51091 1 652 . 1 . 1 60 60 TYR CD1 C 13 133.266 0.000 . 1 . . . . . 60 TYR CD1 . 51091 1 653 . 1 . 1 60 60 TYR CD2 C 13 133.266 0.000 . 1 . . . . . 60 TYR CD2 . 51091 1 654 . 1 . 1 60 60 TYR CE1 C 13 118.370 0.000 . 1 . . . . . 60 TYR CE1 . 51091 1 655 . 1 . 1 60 60 TYR CE2 C 13 118.370 0.000 . 1 . . . . . 60 TYR CE2 . 51091 1 656 . 1 . 1 60 60 TYR N N 15 119.252 0.099 . 1 . . . . . 60 TYR N . 51091 1 657 . 1 . 1 61 61 GLY H H 1 8.148 0.003 . 1 . . . . . 61 GLY H . 51091 1 658 . 1 . 1 61 61 GLY HA2 H 1 4.017 0.009 . 2 . . . . . 61 GLY HA2 . 51091 1 659 . 1 . 1 61 61 GLY HA3 H 1 3.801 0.009 . 2 . . . . . 61 GLY HA3 . 51091 1 660 . 1 . 1 61 61 GLY C C 13 172.151 0.000 . 1 . . . . . 61 GLY C . 51091 1 661 . 1 . 1 61 61 GLY CA C 13 43.588 0.039 . 1 . . . . . 61 GLY CA . 51091 1 662 . 1 . 1 61 61 GLY N N 15 109.612 0.055 . 1 . . . . . 61 GLY N . 51091 1 663 . 1 . 1 62 62 TYR H H 1 8.394 0.001 . 1 . . . . . 62 TYR H . 51091 1 664 . 1 . 1 62 62 TYR HA H 1 2.539 0.014 . 1 . . . . . 62 TYR HA . 51091 1 665 . 1 . 1 62 62 TYR HB2 H 1 2.612 0.039 . 2 . . . . . 62 TYR HB2 . 51091 1 666 . 1 . 1 62 62 TYR HB3 H 1 2.803 0.003 . 2 . . . . . 62 TYR HB3 . 51091 1 667 . 1 . 1 62 62 TYR HD1 H 1 7.030 0.030 . 1 . . . . . 62 TYR HD1 . 51091 1 668 . 1 . 1 62 62 TYR HD2 H 1 7.030 0.030 . 1 . . . . . 62 TYR HD2 . 51091 1 669 . 1 . 1 62 62 TYR HE1 H 1 6.899 0.005 . 1 . . . . . 62 TYR HE1 . 51091 1 670 . 1 . 1 62 62 TYR HE2 H 1 6.899 0.005 . 1 . . . . . 62 TYR HE2 . 51091 1 671 . 1 . 1 62 62 TYR CA C 13 57.294 0.044 . 1 . . . . . 62 TYR CA . 51091 1 672 . 1 . 1 62 62 TYR CB C 13 38.625 0.041 . 1 . . . . . 62 TYR CB . 51091 1 673 . 1 . 1 62 62 TYR CD1 C 13 132.881 0.000 . 1 . . . . . 62 TYR CD1 . 51091 1 674 . 1 . 1 62 62 TYR CD2 C 13 132.881 0.000 . 1 . . . . . 62 TYR CD2 . 51091 1 675 . 1 . 1 62 62 TYR CE1 C 13 118.553 0.000 . 1 . . . . . 62 TYR CE1 . 51091 1 676 . 1 . 1 62 62 TYR CE2 C 13 118.553 0.000 . 1 . . . . . 62 TYR CE2 . 51091 1 677 . 1 . 1 62 62 TYR N N 15 123.866 0.055 . 1 . . . . . 62 TYR N . 51091 1 678 . 1 . 1 63 63 PRO HA H 1 2.747 0.004 . 1 . . . . . 63 PRO HA . 51091 1 679 . 1 . 1 63 63 PRO HB2 H 1 1.921 0.009 . 2 . . . . . 63 PRO HB2 . 51091 1 680 . 1 . 1 63 63 PRO HB3 H 1 0.886 0.005 . 2 . . . . . 63 PRO HB3 . 51091 1 681 . 1 . 1 63 63 PRO HG2 H 1 0.874 0.006 . 2 . . . . . 63 PRO HG2 . 51091 1 682 . 1 . 1 63 63 PRO HG3 H 1 1.425 0.005 . 2 . . . . . 63 PRO HG3 . 51091 1 683 . 1 . 1 63 63 PRO HD2 H 1 3.099 0.013 . 2 . . . . . 63 PRO HD2 . 51091 1 684 . 1 . 1 63 63 PRO HD3 H 1 3.120 0.019 . 2 . . . . . 63 PRO HD3 . 51091 1 685 . 1 . 1 63 63 PRO C C 13 174.657 0.000 . 1 . . . . . 63 PRO C . 51091 1 686 . 1 . 1 63 63 PRO CA C 13 63.998 0.023 . 1 . . . . . 63 PRO CA . 51091 1 687 . 1 . 1 63 63 PRO CB C 13 32.515 0.078 . 1 . . . . . 63 PRO CB . 51091 1 688 . 1 . 1 63 63 PRO CG C 13 23.884 0.051 . 1 . . . . . 63 PRO CG . 51091 1 689 . 1 . 1 63 63 PRO CD C 13 49.350 0.037 . 1 . . . . . 63 PRO CD . 51091 1 690 . 1 . 1 64 64 TYR H H 1 8.824 0.003 . 1 . . . . . 64 TYR H . 51091 1 691 . 1 . 1 64 64 TYR HA H 1 4.259 0.008 . 1 . . . . . 64 TYR HA . 51091 1 692 . 1 . 1 64 64 TYR HB2 H 1 3.453 0.003 . 2 . . . . . 64 TYR HB2 . 51091 1 693 . 1 . 1 64 64 TYR HB3 H 1 3.293 0.006 . 2 . . . . . 64 TYR HB3 . 51091 1 694 . 1 . 1 64 64 TYR HD1 H 1 6.987 0.005 . 1 . . . . . 64 TYR HD1 . 51091 1 695 . 1 . 1 64 64 TYR HD2 H 1 6.987 0.005 . 1 . . . . . 64 TYR HD2 . 51091 1 696 . 1 . 1 64 64 TYR HE1 H 1 6.883 0.004 . 1 . . . . . 64 TYR HE1 . 51091 1 697 . 1 . 1 64 64 TYR HE2 H 1 6.883 0.004 . 1 . . . . . 64 TYR HE2 . 51091 1 698 . 1 . 1 64 64 TYR C C 13 173.768 0.000 . 1 . . . . . 64 TYR C . 51091 1 699 . 1 . 1 64 64 TYR CA C 13 60.666 0.034 . 1 . . . . . 64 TYR CA . 51091 1 700 . 1 . 1 64 64 TYR CB C 13 35.169 0.053 . 1 . . . . . 64 TYR CB . 51091 1 701 . 1 . 1 64 64 TYR CD1 C 13 133.390 0.000 . 1 . . . . . 64 TYR CD1 . 51091 1 702 . 1 . 1 64 64 TYR CD2 C 13 133.390 0.000 . 1 . . . . . 64 TYR CD2 . 51091 1 703 . 1 . 1 64 64 TYR CE1 C 13 118.811 0.000 . 1 . . . . . 64 TYR CE1 . 51091 1 704 . 1 . 1 64 64 TYR CE2 C 13 118.811 0.000 . 1 . . . . . 64 TYR CE2 . 51091 1 705 . 1 . 1 64 64 TYR N N 15 118.766 0.046 . 1 . . . . . 64 TYR N . 51091 1 706 . 1 . 1 65 65 TYR H H 1 6.909 0.001 . 1 . . . . . 65 TYR H . 51091 1 707 . 1 . 1 65 65 TYR HA H 1 5.715 0.006 . 1 . . . . . 65 TYR HA . 51091 1 708 . 1 . 1 65 65 TYR HB2 H 1 3.191 0.008 . 2 . . . . . 65 TYR HB2 . 51091 1 709 . 1 . 1 65 65 TYR HB3 H 1 2.611 0.018 . 2 . . . . . 65 TYR HB3 . 51091 1 710 . 1 . 1 65 65 TYR HD1 H 1 6.812 0.005 . 1 . . . . . 65 TYR HD1 . 51091 1 711 . 1 . 1 65 65 TYR HD2 H 1 6.812 0.005 . 1 . . . . . 65 TYR HD2 . 51091 1 712 . 1 . 1 65 65 TYR HE1 H 1 6.663 0.003 . 1 . . . . . 65 TYR HE1 . 51091 1 713 . 1 . 1 65 65 TYR HE2 H 1 6.663 0.003 . 1 . . . . . 65 TYR HE2 . 51091 1 714 . 1 . 1 65 65 TYR C C 13 173.241 0.000 . 1 . . . . . 65 TYR C . 51091 1 715 . 1 . 1 65 65 TYR CA C 13 54.952 0.054 . 1 . . . . . 65 TYR CA . 51091 1 716 . 1 . 1 65 65 TYR CB C 13 42.287 0.143 . 1 . . . . . 65 TYR CB . 51091 1 717 . 1 . 1 65 65 TYR CD1 C 13 133.863 0.000 . 1 . . . . . 65 TYR CD1 . 51091 1 718 . 1 . 1 65 65 TYR CD2 C 13 133.863 0.000 . 1 . . . . . 65 TYR CD2 . 51091 1 719 . 1 . 1 65 65 TYR CE1 C 13 117.818 0.000 . 1 . . . . . 65 TYR CE1 . 51091 1 720 . 1 . 1 65 65 TYR CE2 C 13 117.818 0.000 . 1 . . . . . 65 TYR CE2 . 51091 1 721 . 1 . 1 65 65 TYR N N 15 114.574 0.056 . 1 . . . . . 65 TYR N . 51091 1 722 . 1 . 1 66 66 LYS H H 1 8.971 0.002 . 1 . . . . . 66 LYS H . 51091 1 723 . 1 . 1 66 66 LYS HA H 1 4.441 0.009 . 1 . . . . . 66 LYS HA . 51091 1 724 . 1 . 1 66 66 LYS HB2 H 1 1.594 0.024 . 2 . . . . . 66 LYS HB2 . 51091 1 725 . 1 . 1 66 66 LYS HB3 H 1 1.572 0.013 . 2 . . . . . 66 LYS HB3 . 51091 1 726 . 1 . 1 66 66 LYS HG2 H 1 1.257 0.001 . 2 . . . . . 66 LYS HG2 . 51091 1 727 . 1 . 1 66 66 LYS HG3 H 1 1.152 0.001 . 2 . . . . . 66 LYS HG3 . 51091 1 728 . 1 . 1 66 66 LYS HE2 H 1 2.905 0.002 . 1 . . . . . 66 LYS HE2 . 51091 1 729 . 1 . 1 66 66 LYS HE3 H 1 2.905 0.002 . 1 . . . . . 66 LYS HE3 . 51091 1 730 . 1 . 1 66 66 LYS C C 13 175.823 0.000 . 1 . . . . . 66 LYS C . 51091 1 731 . 1 . 1 66 66 LYS CA C 13 55.019 0.055 . 1 . . . . . 66 LYS CA . 51091 1 732 . 1 . 1 66 66 LYS CB C 13 36.207 0.109 . 1 . . . . . 66 LYS CB . 51091 1 733 . 1 . 1 66 66 LYS CG C 13 24.306 0.014 . 1 . . . . . 66 LYS CG . 51091 1 734 . 1 . 1 66 66 LYS CE C 13 42.239 0.020 . 1 . . . . . 66 LYS CE . 51091 1 735 . 1 . 1 66 66 LYS N N 15 118.942 0.035 . 1 . . . . . 66 LYS N . 51091 1 736 . 1 . 1 67 67 CYS H H 1 9.332 0.002 . 1 . . . . . 67 CYS H . 51091 1 737 . 1 . 1 67 67 CYS HA H 1 5.445 0.013 . 1 . . . . . 67 CYS HA . 51091 1 738 . 1 . 1 67 67 CYS HB2 H 1 2.730 0.012 . 2 . . . . . 67 CYS HB2 . 51091 1 739 . 1 . 1 67 67 CYS HB3 H 1 2.881 0.015 . 2 . . . . . 67 CYS HB3 . 51091 1 740 . 1 . 1 67 67 CYS C C 13 174.677 0.000 . 1 . . . . . 67 CYS C . 51091 1 741 . 1 . 1 67 67 CYS CA C 13 54.383 0.134 . 1 . . . . . 67 CYS CA . 51091 1 742 . 1 . 1 67 67 CYS CB C 13 42.354 0.184 . 1 . . . . . 67 CYS CB . 51091 1 743 . 1 . 1 67 67 CYS N N 15 123.310 0.057 . 1 . . . . . 67 CYS N . 51091 1 744 . 1 . 1 68 68 SER H H 1 9.254 0.002 . 1 . . . . . 68 SER H . 51091 1 745 . 1 . 1 68 68 SER HA H 1 4.762 0.009 . 1 . . . . . 68 SER HA . 51091 1 746 . 1 . 1 68 68 SER HB2 H 1 3.811 0.006 . 2 . . . . . 68 SER HB2 . 51091 1 747 . 1 . 1 68 68 SER HB3 H 1 3.925 0.002 . 2 . . . . . 68 SER HB3 . 51091 1 748 . 1 . 1 68 68 SER C C 13 174.679 0.000 . 1 . . . . . 68 SER C . 51091 1 749 . 1 . 1 68 68 SER CA C 13 57.363 0.028 . 1 . . . . . 68 SER CA . 51091 1 750 . 1 . 1 68 68 SER CB C 13 62.959 0.063 . 1 . . . . . 68 SER CB . 51091 1 751 . 1 . 1 68 68 SER N N 15 121.101 0.109 . 1 . . . . . 68 SER N . 51091 1 752 . 1 . 1 69 69 CYS H H 1 9.089 0.002 . 1 . . . . . 69 CYS H . 51091 1 753 . 1 . 1 69 69 CYS HA H 1 5.214 0.005 . 1 . . . . . 69 CYS HA . 51091 1 754 . 1 . 1 69 69 CYS HB2 H 1 3.002 0.007 . 2 . . . . . 69 CYS HB2 . 51091 1 755 . 1 . 1 69 69 CYS HB3 H 1 2.705 0.006 . 2 . . . . . 69 CYS HB3 . 51091 1 756 . 1 . 1 69 69 CYS CA C 13 51.889 0.022 . 1 . . . . . 69 CYS CA . 51091 1 757 . 1 . 1 69 69 CYS CB C 13 37.217 0.039 . 1 . . . . . 69 CYS CB . 51091 1 758 . 1 . 1 69 69 CYS N N 15 125.137 0.248 . 1 . . . . . 69 CYS N . 51091 1 759 . 1 . 1 70 70 PRO HA H 1 4.706 0.007 . 1 . . . . . 70 PRO HA . 51091 1 760 . 1 . 1 70 70 PRO HB2 H 1 2.456 0.003 . 2 . . . . . 70 PRO HB2 . 51091 1 761 . 1 . 1 70 70 PRO HB3 H 1 2.145 0.008 . 2 . . . . . 70 PRO HB3 . 51091 1 762 . 1 . 1 70 70 PRO HG2 H 1 2.155 0.006 . 2 . . . . . 70 PRO HG2 . 51091 1 763 . 1 . 1 70 70 PRO HG3 H 1 2.011 0.002 . 2 . . . . . 70 PRO HG3 . 51091 1 764 . 1 . 1 70 70 PRO HD2 H 1 3.265 0.002 . 2 . . . . . 70 PRO HD2 . 51091 1 765 . 1 . 1 70 70 PRO HD3 H 1 3.524 0.002 . 2 . . . . . 70 PRO HD3 . 51091 1 766 . 1 . 1 70 70 PRO C C 13 174.889 0.000 . 1 . . . . . 70 PRO C . 51091 1 767 . 1 . 1 70 70 PRO CA C 13 62.344 0.080 . 1 . . . . . 70 PRO CA . 51091 1 768 . 1 . 1 70 70 PRO CB C 13 32.316 0.038 . 1 . . . . . 70 PRO CB . 51091 1 769 . 1 . 1 70 70 PRO CG C 13 27.364 0.016 . 1 . . . . . 70 PRO CG . 51091 1 770 . 1 . 1 70 70 PRO CD C 13 50.716 0.016 . 1 . . . . . 70 PRO CD . 51091 1 771 . 1 . 1 71 71 TYR H H 1 8.450 0.003 . 1 . . . . . 71 TYR H . 51091 1 772 . 1 . 1 71 71 TYR HA H 1 4.236 0.010 . 1 . . . . . 71 TYR HA . 51091 1 773 . 1 . 1 71 71 TYR HB2 H 1 3.183 0.007 . 2 . . . . . 71 TYR HB2 . 51091 1 774 . 1 . 1 71 71 TYR HB3 H 1 2.884 0.010 . 2 . . . . . 71 TYR HB3 . 51091 1 775 . 1 . 1 71 71 TYR HD1 H 1 7.162 0.004 . 1 . . . . . 71 TYR HD1 . 51091 1 776 . 1 . 1 71 71 TYR HD2 H 1 7.162 0.004 . 1 . . . . . 71 TYR HD2 . 51091 1 777 . 1 . 1 71 71 TYR HE1 H 1 6.847 0.004 . 1 . . . . . 71 TYR HE1 . 51091 1 778 . 1 . 1 71 71 TYR HE2 H 1 6.847 0.004 . 1 . . . . . 71 TYR HE2 . 51091 1 779 . 1 . 1 71 71 TYR C C 13 176.813 0.000 . 1 . . . . . 71 TYR C . 51091 1 780 . 1 . 1 71 71 TYR CA C 13 60.561 0.041 . 1 . . . . . 71 TYR CA . 51091 1 781 . 1 . 1 71 71 TYR CB C 13 38.367 0.073 . 1 . . . . . 71 TYR CB . 51091 1 782 . 1 . 1 71 71 TYR CD1 C 13 133.297 0.000 . 1 . . . . . 71 TYR CD1 . 51091 1 783 . 1 . 1 71 71 TYR CD2 C 13 133.297 0.000 . 1 . . . . . 71 TYR CD2 . 51091 1 784 . 1 . 1 71 71 TYR CE1 C 13 118.237 0.000 . 1 . . . . . 71 TYR CE1 . 51091 1 785 . 1 . 1 71 71 TYR CE2 C 13 118.237 0.000 . 1 . . . . . 71 TYR CE2 . 51091 1 786 . 1 . 1 71 71 TYR N N 15 119.312 0.094 . 1 . . . . . 71 TYR N . 51091 1 787 . 1 . 1 72 72 GLY H H 1 8.286 0.001 . 1 . . . . . 72 GLY H . 51091 1 788 . 1 . 1 72 72 GLY HA2 H 1 3.937 0.014 . 2 . . . . . 72 GLY HA2 . 51091 1 789 . 1 . 1 72 72 GLY HA3 H 1 3.067 0.008 . 2 . . . . . 72 GLY HA3 . 51091 1 790 . 1 . 1 72 72 GLY C C 13 173.025 0.000 . 1 . . . . . 72 GLY C . 51091 1 791 . 1 . 1 72 72 GLY CA C 13 44.857 0.050 . 1 . . . . . 72 GLY CA . 51091 1 792 . 1 . 1 72 72 GLY N N 15 113.163 0.038 . 1 . . . . . 72 GLY N . 51091 1 793 . 1 . 1 73 73 TYR H H 1 7.991 0.001 . 1 . . . . . 73 TYR H . 51091 1 794 . 1 . 1 73 73 TYR HA H 1 5.556 0.011 . 1 . . . . . 73 TYR HA . 51091 1 795 . 1 . 1 73 73 TYR HB2 H 1 3.009 0.008 . 2 . . . . . 73 TYR HB2 . 51091 1 796 . 1 . 1 73 73 TYR HB3 H 1 2.645 0.007 . 2 . . . . . 73 TYR HB3 . 51091 1 797 . 1 . 1 73 73 TYR HD1 H 1 6.898 0.005 . 1 . . . . . 73 TYR HD1 . 51091 1 798 . 1 . 1 73 73 TYR HD2 H 1 6.898 0.005 . 1 . . . . . 73 TYR HD2 . 51091 1 799 . 1 . 1 73 73 TYR HE1 H 1 6.691 0.003 . 1 . . . . . 73 TYR HE1 . 51091 1 800 . 1 . 1 73 73 TYR HE2 H 1 6.691 0.003 . 1 . . . . . 73 TYR HE2 . 51091 1 801 . 1 . 1 73 73 TYR C C 13 174.532 0.000 . 1 . . . . . 73 TYR C . 51091 1 802 . 1 . 1 73 73 TYR CA C 13 57.323 0.052 . 1 . . . . . 73 TYR CA . 51091 1 803 . 1 . 1 73 73 TYR CB C 13 41.749 0.158 . 1 . . . . . 73 TYR CB . 51091 1 804 . 1 . 1 73 73 TYR CD1 C 13 133.718 0.000 . 1 . . . . . 73 TYR CD1 . 51091 1 805 . 1 . 1 73 73 TYR CD2 C 13 133.718 0.000 . 1 . . . . . 73 TYR CD2 . 51091 1 806 . 1 . 1 73 73 TYR CE1 C 13 117.732 0.000 . 1 . . . . . 73 TYR CE1 . 51091 1 807 . 1 . 1 73 73 TYR CE2 C 13 117.732 0.000 . 1 . . . . . 73 TYR CE2 . 51091 1 808 . 1 . 1 73 73 TYR N N 15 118.747 0.043 . 1 . . . . . 73 TYR N . 51091 1 809 . 1 . 1 74 74 TYR H H 1 9.444 0.001 . 1 . . . . . 74 TYR H . 51091 1 810 . 1 . 1 74 74 TYR HA H 1 4.925 0.012 . 1 . . . . . 74 TYR HA . 51091 1 811 . 1 . 1 74 74 TYR HB2 H 1 3.087 0.002 . 2 . . . . . 74 TYR HB2 . 51091 1 812 . 1 . 1 74 74 TYR HB3 H 1 3.005 0.005 . 2 . . . . . 74 TYR HB3 . 51091 1 813 . 1 . 1 74 74 TYR HD1 H 1 6.868 0.004 . 1 . . . . . 74 TYR HD1 . 51091 1 814 . 1 . 1 74 74 TYR HD2 H 1 6.868 0.004 . 1 . . . . . 74 TYR HD2 . 51091 1 815 . 1 . 1 74 74 TYR HE1 H 1 6.492 0.005 . 1 . . . . . 74 TYR HE1 . 51091 1 816 . 1 . 1 74 74 TYR HE2 H 1 6.492 0.005 . 1 . . . . . 74 TYR HE2 . 51091 1 817 . 1 . 1 74 74 TYR C C 13 173.299 0.000 . 1 . . . . . 74 TYR C . 51091 1 818 . 1 . 1 74 74 TYR CA C 13 56.865 0.109 . 1 . . . . . 74 TYR CA . 51091 1 819 . 1 . 1 74 74 TYR CB C 13 38.433 0.089 . 1 . . . . . 74 TYR CB . 51091 1 820 . 1 . 1 74 74 TYR CD1 C 13 133.840 0.000 . 1 . . . . . 74 TYR CD1 . 51091 1 821 . 1 . 1 74 74 TYR CD2 C 13 133.840 0.000 . 1 . . . . . 74 TYR CD2 . 51091 1 822 . 1 . 1 74 74 TYR CE1 C 13 118.391 0.000 . 1 . . . . . 74 TYR CE1 . 51091 1 823 . 1 . 1 74 74 TYR CE2 C 13 118.391 0.000 . 1 . . . . . 74 TYR CE2 . 51091 1 824 . 1 . 1 74 74 TYR N N 15 119.261 0.046 . 1 . . . . . 74 TYR N . 51091 1 825 . 1 . 1 75 75 GLY H H 1 8.148 0.002 . 1 . . . . . 75 GLY H . 51091 1 826 . 1 . 1 75 75 GLY HA2 H 1 4.598 0.011 . 2 . . . . . 75 GLY HA2 . 51091 1 827 . 1 . 1 75 75 GLY HA3 H 1 3.833 0.012 . 2 . . . . . 75 GLY HA3 . 51091 1 828 . 1 . 1 75 75 GLY C C 13 176.797 0.000 . 1 . . . . . 75 GLY C . 51091 1 829 . 1 . 1 75 75 GLY CA C 13 43.252 0.108 . 1 . . . . . 75 GLY CA . 51091 1 830 . 1 . 1 75 75 GLY N N 15 106.872 0.053 . 1 . . . . . 75 GLY N . 51091 1 831 . 1 . 1 76 76 LYS H H 1 9.271 0.002 . 1 . . . . . 76 LYS H . 51091 1 832 . 1 . 1 76 76 LYS HA H 1 4.048 0.008 . 1 . . . . . 76 LYS HA . 51091 1 833 . 1 . 1 76 76 LYS HB2 H 1 1.905 0.007 . 1 . . . . . 76 LYS HB2 . 51091 1 834 . 1 . 1 76 76 LYS HB3 H 1 1.905 0.007 . 1 . . . . . 76 LYS HB3 . 51091 1 835 . 1 . 1 76 76 LYS HG2 H 1 1.528 0.003 . 2 . . . . . 76 LYS HG2 . 51091 1 836 . 1 . 1 76 76 LYS HG3 H 1 1.644 0.006 . 2 . . . . . 76 LYS HG3 . 51091 1 837 . 1 . 1 76 76 LYS HD2 H 1 1.739 0.003 . 1 . . . . . 76 LYS HD2 . 51091 1 838 . 1 . 1 76 76 LYS HD3 H 1 1.739 0.003 . 1 . . . . . 76 LYS HD3 . 51091 1 839 . 1 . 1 76 76 LYS HE2 H 1 2.986 0.004 . 1 . . . . . 76 LYS HE2 . 51091 1 840 . 1 . 1 76 76 LYS HE3 H 1 2.986 0.004 . 1 . . . . . 76 LYS HE3 . 51091 1 841 . 1 . 1 76 76 LYS C C 13 177.507 0.000 . 1 . . . . . 76 LYS C . 51091 1 842 . 1 . 1 76 76 LYS CA C 13 59.735 0.099 . 1 . . . . . 76 LYS CA . 51091 1 843 . 1 . 1 76 76 LYS CB C 13 32.506 0.234 . 1 . . . . . 76 LYS CB . 51091 1 844 . 1 . 1 76 76 LYS CG C 13 25.699 0.016 . 1 . . . . . 76 LYS CG . 51091 1 845 . 1 . 1 76 76 LYS CD C 13 29.330 0.045 . 1 . . . . . 76 LYS CD . 51091 1 846 . 1 . 1 76 76 LYS CE C 13 42.208 0.020 . 1 . . . . . 76 LYS CE . 51091 1 847 . 1 . 1 76 76 LYS N N 15 122.685 0.047 . 1 . . . . . 76 LYS N . 51091 1 848 . 1 . 1 77 77 GLN H H 1 8.345 0.002 . 1 . . . . . 77 GLN H . 51091 1 849 . 1 . 1 77 77 GLN HA H 1 5.115 0.008 . 1 . . . . . 77 GLN HA . 51091 1 850 . 1 . 1 77 77 GLN HB2 H 1 2.778 0.009 . 2 . . . . . 77 GLN HB2 . 51091 1 851 . 1 . 1 77 77 GLN HB3 H 1 1.819 0.014 . 2 . . . . . 77 GLN HB3 . 51091 1 852 . 1 . 1 77 77 GLN HG2 H 1 2.447 0.001 . 2 . . . . . 77 GLN HG2 . 51091 1 853 . 1 . 1 77 77 GLN HG3 H 1 2.119 0.005 . 2 . . . . . 77 GLN HG3 . 51091 1 854 . 1 . 1 77 77 GLN C C 13 175.548 0.000 . 1 . . . . . 77 GLN C . 51091 1 855 . 1 . 1 77 77 GLN CA C 13 55.571 0.086 . 1 . . . . . 77 GLN CA . 51091 1 856 . 1 . 1 77 77 GLN CB C 13 28.963 0.121 . 1 . . . . . 77 GLN CB . 51091 1 857 . 1 . 1 77 77 GLN CG C 13 35.748 0.017 . 1 . . . . . 77 GLN CG . 51091 1 858 . 1 . 1 77 77 GLN N N 15 113.469 0.059 . 1 . . . . . 77 GLN N . 51091 1 859 . 1 . 1 78 78 CYS H H 1 7.737 0.001 . 1 . . . . . 78 CYS H . 51091 1 860 . 1 . 1 78 78 CYS HA H 1 4.033 0.006 . 1 . . . . . 78 CYS HA . 51091 1 861 . 1 . 1 78 78 CYS HB2 H 1 3.696 0.019 . 2 . . . . . 78 CYS HB2 . 51091 1 862 . 1 . 1 78 78 CYS HB3 H 1 2.964 0.007 . 2 . . . . . 78 CYS HB3 . 51091 1 863 . 1 . 1 78 78 CYS C C 13 174.255 0.000 . 1 . . . . . 78 CYS C . 51091 1 864 . 1 . 1 78 78 CYS CA C 13 54.874 0.036 . 1 . . . . . 78 CYS CA . 51091 1 865 . 1 . 1 78 78 CYS CB C 13 35.296 0.039 . 1 . . . . . 78 CYS CB . 51091 1 866 . 1 . 1 78 78 CYS N N 15 111.471 0.042 . 1 . . . . . 78 CYS N . 51091 1 867 . 1 . 1 79 79 GLN H H 1 9.727 0.003 . 1 . . . . . 79 GLN H . 51091 1 868 . 1 . 1 79 79 GLN HA H 1 4.078 0.012 . 1 . . . . . 79 GLN HA . 51091 1 869 . 1 . 1 79 79 GLN HB2 H 1 2.191 0.003 . 2 . . . . . 79 GLN HB2 . 51091 1 870 . 1 . 1 79 79 GLN HB3 H 1 1.881 0.005 . 2 . . . . . 79 GLN HB3 . 51091 1 871 . 1 . 1 79 79 GLN HG2 H 1 2.756 0.002 . 2 . . . . . 79 GLN HG2 . 51091 1 872 . 1 . 1 79 79 GLN HG3 H 1 2.228 0.004 . 2 . . . . . 79 GLN HG3 . 51091 1 873 . 1 . 1 79 79 GLN C C 13 175.337 0.000 . 1 . . . . . 79 GLN C . 51091 1 874 . 1 . 1 79 79 GLN CA C 13 56.611 0.088 . 1 . . . . . 79 GLN CA . 51091 1 875 . 1 . 1 79 79 GLN CB C 13 28.197 0.166 . 1 . . . . . 79 GLN CB . 51091 1 876 . 1 . 1 79 79 GLN CG C 13 32.813 0.014 . 1 . . . . . 79 GLN CG . 51091 1 877 . 1 . 1 79 79 GLN N N 15 118.016 0.046 . 1 . . . . . 79 GLN N . 51091 1 878 . 1 . 1 80 80 LEU H H 1 8.540 0.003 . 1 . . . . . 80 LEU H . 51091 1 879 . 1 . 1 80 80 LEU HA H 1 4.564 0.008 . 1 . . . . . 80 LEU HA . 51091 1 880 . 1 . 1 80 80 LEU HB2 H 1 0.409 0.010 . 2 . . . . . 80 LEU HB2 . 51091 1 881 . 1 . 1 80 80 LEU HB3 H 1 0.734 0.011 . 2 . . . . . 80 LEU HB3 . 51091 1 882 . 1 . 1 80 80 LEU HG H 1 1.188 0.002 . 1 . . . . . 80 LEU HG . 51091 1 883 . 1 . 1 80 80 LEU HD11 H 1 0.589 0.002 . 2 . . . . . 80 LEU HD11 . 51091 1 884 . 1 . 1 80 80 LEU HD12 H 1 0.589 0.002 . 2 . . . . . 80 LEU HD12 . 51091 1 885 . 1 . 1 80 80 LEU HD13 H 1 0.589 0.002 . 2 . . . . . 80 LEU HD13 . 51091 1 886 . 1 . 1 80 80 LEU HD21 H 1 0.803 0.001 . 2 . . . . . 80 LEU HD21 . 51091 1 887 . 1 . 1 80 80 LEU HD22 H 1 0.803 0.001 . 2 . . . . . 80 LEU HD22 . 51091 1 888 . 1 . 1 80 80 LEU HD23 H 1 0.803 0.001 . 2 . . . . . 80 LEU HD23 . 51091 1 889 . 1 . 1 80 80 LEU C C 13 174.419 0.000 . 1 . . . . . 80 LEU C . 51091 1 890 . 1 . 1 80 80 LEU CA C 13 53.442 0.053 . 1 . . . . . 80 LEU CA . 51091 1 891 . 1 . 1 80 80 LEU CB C 13 41.915 0.087 . 1 . . . . . 80 LEU CB . 51091 1 892 . 1 . 1 80 80 LEU CG C 13 26.698 0.016 . 1 . . . . . 80 LEU CG . 51091 1 893 . 1 . 1 80 80 LEU CD1 C 13 25.421 0.025 . 2 . . . . . 80 LEU CD1 . 51091 1 894 . 1 . 1 80 80 LEU CD2 C 13 22.558 0.012 . 2 . . . . . 80 LEU CD2 . 51091 1 895 . 1 . 1 80 80 LEU N N 15 124.504 0.077 . 1 . . . . . 80 LEU N . 51091 1 896 . 1 . 1 81 81 LYS H H 1 8.301 0.002 . 1 . . . . . 81 LYS H . 51091 1 897 . 1 . 1 81 81 LYS HA H 1 4.458 0.008 . 1 . . . . . 81 LYS HA . 51091 1 898 . 1 . 1 81 81 LYS HB2 H 1 1.612 0.007 . 2 . . . . . 81 LYS HB2 . 51091 1 899 . 1 . 1 81 81 LYS HB3 H 1 1.460 0.008 . 2 . . . . . 81 LYS HB3 . 51091 1 900 . 1 . 1 81 81 LYS HG2 H 1 1.021 0.005 . 2 . . . . . 81 LYS HG2 . 51091 1 901 . 1 . 1 81 81 LYS HG3 H 1 0.890 0.007 . 2 . . . . . 81 LYS HG3 . 51091 1 902 . 1 . 1 81 81 LYS HD2 H 1 1.514 0.016 . 1 . . . . . 81 LYS HD2 . 51091 1 903 . 1 . 1 81 81 LYS HD3 H 1 1.514 0.016 . 1 . . . . . 81 LYS HD3 . 51091 1 904 . 1 . 1 81 81 LYS HE2 H 1 2.849 0.004 . 1 . . . . . 81 LYS HE2 . 51091 1 905 . 1 . 1 81 81 LYS HE3 H 1 2.849 0.004 . 1 . . . . . 81 LYS HE3 . 51091 1 906 . 1 . 1 81 81 LYS C C 13 176.317 0.000 . 1 . . . . . 81 LYS C . 51091 1 907 . 1 . 1 81 81 LYS CA C 13 55.100 0.035 . 1 . . . . . 81 LYS CA . 51091 1 908 . 1 . 1 81 81 LYS CB C 13 34.818 0.048 . 1 . . . . . 81 LYS CB . 51091 1 909 . 1 . 1 81 81 LYS CG C 13 25.114 0.098 . 1 . . . . . 81 LYS CG . 51091 1 910 . 1 . 1 81 81 LYS CD C 13 29.371 0.027 . 1 . . . . . 81 LYS CD . 51091 1 911 . 1 . 1 81 81 LYS CE C 13 42.267 0.024 . 1 . . . . . 81 LYS CE . 51091 1 912 . 1 . 1 81 81 LYS N N 15 121.754 0.041 . 1 . . . . . 81 LYS N . 51091 1 913 . 1 . 1 82 82 LYS H H 1 8.322 0.002 . 1 . . . . . 82 LYS H . 51091 1 914 . 1 . 1 82 82 LYS HA H 1 4.152 0.003 . 1 . . . . . 82 LYS HA . 51091 1 915 . 1 . 1 82 82 LYS HB2 H 1 1.415 0.002 . 2 . . . . . 82 LYS HB2 . 51091 1 916 . 1 . 1 82 82 LYS HB3 H 1 1.273 0.002 . 2 . . . . . 82 LYS HB3 . 51091 1 917 . 1 . 1 82 82 LYS HG2 H 1 0.993 0.001 . 1 . . . . . 82 LYS HG2 . 51091 1 918 . 1 . 1 82 82 LYS HG3 H 1 0.993 0.001 . 1 . . . . . 82 LYS HG3 . 51091 1 919 . 1 . 1 82 82 LYS HD2 H 1 1.274 0.002 . 1 . . . . . 82 LYS HD2 . 51091 1 920 . 1 . 1 82 82 LYS HD3 H 1 1.274 0.002 . 1 . . . . . 82 LYS HD3 . 51091 1 921 . 1 . 1 82 82 LYS HE2 H 1 2.577 0.002 . 1 . . . . . 82 LYS HE2 . 51091 1 922 . 1 . 1 82 82 LYS HE3 H 1 2.577 0.002 . 1 . . . . . 82 LYS HE3 . 51091 1 923 . 1 . 1 82 82 LYS C C 13 174.957 0.000 . 1 . . . . . 82 LYS C . 51091 1 924 . 1 . 1 82 82 LYS CA C 13 56.771 0.049 . 1 . . . . . 82 LYS CA . 51091 1 925 . 1 . 1 82 82 LYS CB C 13 33.627 0.054 . 1 . . . . . 82 LYS CB . 51091 1 926 . 1 . 1 82 82 LYS CG C 13 25.104 0.029 . 1 . . . . . 82 LYS CG . 51091 1 927 . 1 . 1 82 82 LYS CD C 13 29.061 0.023 . 1 . . . . . 82 LYS CD . 51091 1 928 . 1 . 1 82 82 LYS CE C 13 41.852 0.026 . 1 . . . . . 82 LYS CE . 51091 1 929 . 1 . 1 82 82 LYS N N 15 125.731 0.055 . 1 . . . . . 82 LYS N . 51091 1 930 . 1 . 1 83 83 TYR H H 1 7.690 0.001 . 1 . . . . . 83 TYR H . 51091 1 931 . 1 . 1 83 83 TYR HA H 1 4.366 0.010 . 1 . . . . . 83 TYR HA . 51091 1 932 . 1 . 1 83 83 TYR HB2 H 1 3.079 0.003 . 2 . . . . . 83 TYR HB2 . 51091 1 933 . 1 . 1 83 83 TYR HB3 H 1 2.800 0.009 . 2 . . . . . 83 TYR HB3 . 51091 1 934 . 1 . 1 83 83 TYR HD1 H 1 7.056 0.004 . 1 . . . . . 83 TYR HD1 . 51091 1 935 . 1 . 1 83 83 TYR HD2 H 1 7.056 0.004 . 1 . . . . . 83 TYR HD2 . 51091 1 936 . 1 . 1 83 83 TYR HE1 H 1 6.730 0.027 . 1 . . . . . 83 TYR HE1 . 51091 1 937 . 1 . 1 83 83 TYR HE2 H 1 6.730 0.027 . 1 . . . . . 83 TYR HE2 . 51091 1 938 . 1 . 1 83 83 TYR CA C 13 58.863 0.029 . 1 . . . . . 83 TYR CA . 51091 1 939 . 1 . 1 83 83 TYR CB C 13 39.493 0.043 . 1 . . . . . 83 TYR CB . 51091 1 940 . 1 . 1 83 83 TYR CD1 C 13 133.230 0.052 . 1 . . . . . 83 TYR CD1 . 51091 1 941 . 1 . 1 83 83 TYR CD2 C 13 133.230 0.052 . 1 . . . . . 83 TYR CD2 . 51091 1 942 . 1 . 1 83 83 TYR CE1 C 13 117.993 0.006 . 1 . . . . . 83 TYR CE1 . 51091 1 943 . 1 . 1 83 83 TYR CE2 C 13 117.993 0.006 . 1 . . . . . 83 TYR CE2 . 51091 1 944 . 1 . 1 83 83 TYR N N 15 125.782 0.060 . 1 . . . . . 83 TYR N . 51091 1 stop_ save_