data_50469 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50469 _Entry.Title ; A28 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-14 _Entry.Accession_date 2020-09-14 _Entry.Last_release_date 2020-09-14 _Entry.Original_release_date 2020-09-14 _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 ; VAVC entry-fusion protein A28 contains a transmembrane anchor (residues 1-22) and a highly hydrophobic region (residues 23-37) at N-terminal domain. The secondary structure prediction suggested that it has primarily a beta-sheet structure, with six putative beta-strands and three flanking alpha-helices. ; _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 Danni Wu . . . . 50469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 50469 '15N chemical shifts' 116 50469 '1H chemical shifts' 732 50469 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 3 . . 2022-08-29 2020-09-14 update author 'update assignments' 50469 2 . . 2022-06-08 2020-09-14 update author 'update assignments' 50469 1 . . 2021-04-13 2020-09-14 original author 'original release' 50469 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50469 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33398629 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR assignments of vaccinia virus protein A28: an entry-fusion complex component ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 117 _Citation.Page_last 120 _Citation.Year 2021 _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 Danni Wu D. . . . 50469 1 2 Yuan-Chao Lou Y. C. . . 50469 1 3 Wen Chang W. . . . 50469 1 4 Der-Lii Tzou D. M. . . 50469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50469 _Assembly.ID 1 _Assembly.Name A28 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _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 A28 1 $entity_1 . . yes native no no . . . 50469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50469 _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 ; ATHAAFEYSKSIGGTPALDR RVQDVNDTISDVKQKWRCVV YPGNGFVSASIFGFQAEVGP NNTRSIRKFNTMQQCIDFTF SDVININIYNPCVVPNINNA ECQFLKSVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 50469 1 2 . THR . 50469 1 3 . HIS . 50469 1 4 . ALA . 50469 1 5 . ALA . 50469 1 6 . PHE . 50469 1 7 . GLU . 50469 1 8 . TYR . 50469 1 9 . SER . 50469 1 10 . LYS . 50469 1 11 . SER . 50469 1 12 . ILE . 50469 1 13 . GLY . 50469 1 14 . GLY . 50469 1 15 . THR . 50469 1 16 . PRO . 50469 1 17 . ALA . 50469 1 18 . LEU . 50469 1 19 . ASP . 50469 1 20 . ARG . 50469 1 21 . ARG . 50469 1 22 . VAL . 50469 1 23 . GLN . 50469 1 24 . ASP . 50469 1 25 . VAL . 50469 1 26 . ASN . 50469 1 27 . ASP . 50469 1 28 . THR . 50469 1 29 . ILE . 50469 1 30 . SER . 50469 1 31 . ASP . 50469 1 32 . VAL . 50469 1 33 . LYS . 50469 1 34 . GLN . 50469 1 35 . LYS . 50469 1 36 . TRP . 50469 1 37 . ARG . 50469 1 38 . CYS . 50469 1 39 . VAL . 50469 1 40 . VAL . 50469 1 41 . TYR . 50469 1 42 . PRO . 50469 1 43 . GLY . 50469 1 44 . ASN . 50469 1 45 . GLY . 50469 1 46 . PHE . 50469 1 47 . VAL . 50469 1 48 . SER . 50469 1 49 . ALA . 50469 1 50 . SER . 50469 1 51 . ILE . 50469 1 52 . PHE . 50469 1 53 . GLY . 50469 1 54 . PHE . 50469 1 55 . GLN . 50469 1 56 . ALA . 50469 1 57 . GLU . 50469 1 58 . VAL . 50469 1 59 . GLY . 50469 1 60 . PRO . 50469 1 61 . ASN . 50469 1 62 . ASN . 50469 1 63 . THR . 50469 1 64 . ARG . 50469 1 65 . SER . 50469 1 66 . ILE . 50469 1 67 . ARG . 50469 1 68 . LYS . 50469 1 69 . PHE . 50469 1 70 . ASN . 50469 1 71 . THR . 50469 1 72 . MET . 50469 1 73 . GLN . 50469 1 74 . GLN . 50469 1 75 . CYS . 50469 1 76 . ILE . 50469 1 77 . ASP . 50469 1 78 . PHE . 50469 1 79 . THR . 50469 1 80 . PHE . 50469 1 81 . SER . 50469 1 82 . ASP . 50469 1 83 . VAL . 50469 1 84 . ILE . 50469 1 85 . ASN . 50469 1 86 . ILE . 50469 1 87 . ASN . 50469 1 88 . ILE . 50469 1 89 . TYR . 50469 1 90 . ASN . 50469 1 91 . PRO . 50469 1 92 . CYS . 50469 1 93 . VAL . 50469 1 94 . VAL . 50469 1 95 . PRO . 50469 1 96 . ASN . 50469 1 97 . ILE . 50469 1 98 . ASN . 50469 1 99 . ASN . 50469 1 100 . ALA . 50469 1 101 . GLU . 50469 1 102 . CYS . 50469 1 103 . GLN . 50469 1 104 . PHE . 50469 1 105 . LEU . 50469 1 106 . LYS . 50469 1 107 . SER . 50469 1 108 . VAL . 50469 1 109 . LEU . 50469 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 50469 1 . THR 2 2 50469 1 . HIS 3 3 50469 1 . ALA 4 4 50469 1 . ALA 5 5 50469 1 . PHE 6 6 50469 1 . GLU 7 7 50469 1 . TYR 8 8 50469 1 . SER 9 9 50469 1 . LYS 10 10 50469 1 . SER 11 11 50469 1 . ILE 12 12 50469 1 . GLY 13 13 50469 1 . GLY 14 14 50469 1 . THR 15 15 50469 1 . PRO 16 16 50469 1 . ALA 17 17 50469 1 . LEU 18 18 50469 1 . ASP 19 19 50469 1 . ARG 20 20 50469 1 . ARG 21 21 50469 1 . VAL 22 22 50469 1 . GLN 23 23 50469 1 . ASP 24 24 50469 1 . VAL 25 25 50469 1 . ASN 26 26 50469 1 . ASP 27 27 50469 1 . THR 28 28 50469 1 . ILE 29 29 50469 1 . SER 30 30 50469 1 . ASP 31 31 50469 1 . VAL 32 32 50469 1 . LYS 33 33 50469 1 . GLN 34 34 50469 1 . LYS 35 35 50469 1 . TRP 36 36 50469 1 . ARG 37 37 50469 1 . CYS 38 38 50469 1 . VAL 39 39 50469 1 . VAL 40 40 50469 1 . TYR 41 41 50469 1 . PRO 42 42 50469 1 . GLY 43 43 50469 1 . ASN 44 44 50469 1 . GLY 45 45 50469 1 . PHE 46 46 50469 1 . VAL 47 47 50469 1 . SER 48 48 50469 1 . ALA 49 49 50469 1 . SER 50 50 50469 1 . ILE 51 51 50469 1 . PHE 52 52 50469 1 . GLY 53 53 50469 1 . PHE 54 54 50469 1 . GLN 55 55 50469 1 . ALA 56 56 50469 1 . GLU 57 57 50469 1 . VAL 58 58 50469 1 . GLY 59 59 50469 1 . PRO 60 60 50469 1 . ASN 61 61 50469 1 . ASN 62 62 50469 1 . THR 63 63 50469 1 . ARG 64 64 50469 1 . SER 65 65 50469 1 . ILE 66 66 50469 1 . ARG 67 67 50469 1 . LYS 68 68 50469 1 . PHE 69 69 50469 1 . ASN 70 70 50469 1 . THR 71 71 50469 1 . MET 72 72 50469 1 . GLN 73 73 50469 1 . GLN 74 74 50469 1 . CYS 75 75 50469 1 . ILE 76 76 50469 1 . ASP 77 77 50469 1 . PHE 78 78 50469 1 . THR 79 79 50469 1 . PHE 80 80 50469 1 . SER 81 81 50469 1 . ASP 82 82 50469 1 . VAL 83 83 50469 1 . ILE 84 84 50469 1 . ASN 85 85 50469 1 . ILE 86 86 50469 1 . ASN 87 87 50469 1 . ILE 88 88 50469 1 . TYR 89 89 50469 1 . ASN 90 90 50469 1 . PRO 91 91 50469 1 . CYS 92 92 50469 1 . VAL 93 93 50469 1 . VAL 94 94 50469 1 . PRO 95 95 50469 1 . ASN 96 96 50469 1 . ILE 97 97 50469 1 . ASN 98 98 50469 1 . ASN 99 99 50469 1 . ALA 100 100 50469 1 . GLU 101 101 50469 1 . CYS 102 102 50469 1 . GLN 103 103 50469 1 . PHE 104 104 50469 1 . LEU 105 105 50469 1 . LYS 106 106 50469 1 . SER 107 107 50469 1 . VAL 108 108 50469 1 . LEU 109 109 50469 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 50469 _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 . 10245 organism . 'Vaccinia virus' 'Vaccinia virus' . . Viruses . Orthopoxvirus 'Vaccinia virus' 'strain western reserve' . . . . . . . . . . . . 50469 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 50469 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 50469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50469 _Sample.ID 1 _Sample.Name A28 _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 A28 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50469 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 50469 _Sample_condition_list.ID 1 _Sample_condition_list.Name A28 _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 pH 6.5 . pH 50469 1 pressure 1 . atm 50469 1 temperature 298 . K 50469 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50469 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50469 1 'data analysis' . 50469 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 50469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50469 _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 . . . . . . . . . . . . . . . . . 50469 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 13 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 1 14 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50469 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 50469 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS)' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50469 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 50469 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name A28 _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' . . . 50469 1 2 '2D 1H-13C HSQC' . . . 50469 1 3 '3D CBCANH' . . . 50469 1 4 '3D CBCA(CO)NH' . . . 50469 1 5 '3D HNCO' . . . 50469 1 6 '3D HN(CA)CO' . . . 50469 1 7 '3D HCCH-TOCSY' . . . 50469 1 8 '3D C(CO)NH' . . . 50469 1 9 '3D H(CCO)NH' . . . 50469 1 10 '3D HBHA(CO)NH' . . . 50469 1 11 '3D 1H-15N NOESY' . . . 50469 1 12 '3D 1H-13C NOESY' . . . 50469 1 13 '2D HBCBCGCDCEHE' . . . 50469 1 14 '2D HBCBCGCDHD' . . . 50469 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 . . 50469 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA C C 13 176.8200 0.0000 . 1 . . . . . 1 ALA C . 50469 1 2 . 1 . 1 2 2 THR H H 1 8.5690 0.0000 . 1 . . . . . 2 THR H . 50469 1 3 . 1 . 1 2 2 THR HA H 1 4.5300 0.0000 . 1 . . . . . 2 THR HA . 50469 1 4 . 1 . 1 2 2 THR HB H 1 4.1700 0.0000 . 1 . . . . . 2 THR HB . 50469 1 5 . 1 . 1 2 2 THR HG21 H 1 0.7600 0.0000 . 1 . . . . . 2 THR HG21 . 50469 1 6 . 1 . 1 2 2 THR HG22 H 1 0.7600 0.0000 . 1 . . . . . 2 THR HG21 . 50469 1 7 . 1 . 1 2 2 THR HG23 H 1 0.7600 0.0000 . 1 . . . . . 2 THR HG21 . 50469 1 8 . 1 . 1 2 2 THR C C 13 174.5100 0.0000 . 1 . . . . . 2 THR C . 50469 1 9 . 1 . 1 2 2 THR CA C 13 61.7900 0.0000 . 1 . . . . . 2 THR CA . 50469 1 10 . 1 . 1 2 2 THR CB C 13 70.7140 0.0000 . 1 . . . . . 2 THR CB . 50469 1 11 . 1 . 1 2 2 THR CG2 C 13 21.5200 0.0000 . 1 . . . . . 2 THR CG2 . 50469 1 12 . 1 . 1 2 2 THR N N 15 122.6860 0.0000 . 1 . . . . . 2 THR N . 50469 1 13 . 1 . 1 3 3 HIS H H 1 8.6000 0.0000 . 1 . . . . . 3 HIS H . 50469 1 14 . 1 . 1 3 3 HIS HA H 1 5.0400 0.0000 . 1 . . . . . 3 HIS HA . 50469 1 15 . 1 . 1 3 3 HIS HD2 H 1 7.0960 0.0000 . 1 . . . . . 3 HIS HD2 . 50469 1 16 . 1 . 1 3 3 HIS HE1 H 1 8.0600 0.0000 . 1 . . . . . 3 HIS HE1 . 50469 1 17 . 1 . 1 3 3 HIS C C 13 174.7100 0.0000 . 1 . . . . . 3 HIS C . 50469 1 18 . 1 . 1 3 3 HIS CA C 13 55.5860 0.0000 . 1 . . . . . 3 HIS CA . 50469 1 19 . 1 . 1 3 3 HIS CB C 13 30.3600 0.0000 . 1 . . . . . 3 HIS CB . 50469 1 20 . 1 . 1 3 3 HIS CD2 C 13 120.0800 0.0000 . 1 . . . . . 3 HIS CD2 . 50469 1 21 . 1 . 1 3 3 HIS CE1 C 13 137.8500 0.0000 . 1 . . . . . 3 HIS CE1 . 50469 1 22 . 1 . 1 3 3 HIS N N 15 123.0180 0.0000 . 1 . . . . . 3 HIS N . 50469 1 23 . 1 . 1 4 4 ALA H H 1 8.3750 0.0000 . 1 . . . . . 4 ALA H . 50469 1 24 . 1 . 1 4 4 ALA HA H 1 4.3224 0.0000 . 1 . . . . . 4 ALA HA . 50469 1 25 . 1 . 1 4 4 ALA HB1 H 1 1.3577 0.0000 . 1 . . . . . 4 ALA HB1 . 50469 1 26 . 1 . 1 4 4 ALA HB2 H 1 1.3577 0.0000 . 1 . . . . . 4 ALA HB1 . 50469 1 27 . 1 . 1 4 4 ALA HB3 H 1 1.3577 0.0000 . 1 . . . . . 4 ALA HB1 . 50469 1 28 . 1 . 1 4 4 ALA C C 13 177.4190 0.0000 . 1 . . . . . 4 ALA C . 50469 1 29 . 1 . 1 4 4 ALA CA C 13 52.4490 0.0000 . 1 . . . . . 4 ALA CA . 50469 1 30 . 1 . 1 4 4 ALA CB C 13 19.2540 0.0000 . 1 . . . . . 4 ALA CB . 50469 1 31 . 1 . 1 4 4 ALA N N 15 125.0980 0.0000 . 1 . . . . . 4 ALA N . 50469 1 32 . 1 . 1 5 5 ALA H H 1 8.2810 0.0000 . 1 . . . . . 5 ALA H . 50469 1 33 . 1 . 1 5 5 ALA HA H 1 4.2393 0.0000 . 1 . . . . . 5 ALA HA . 50469 1 34 . 1 . 1 5 5 ALA HB1 H 1 1.3002 0.0000 . 1 . . . . . 5 ALA HB1 . 50469 1 35 . 1 . 1 5 5 ALA HB2 H 1 1.3002 0.0000 . 1 . . . . . 5 ALA HB1 . 50469 1 36 . 1 . 1 5 5 ALA HB3 H 1 1.3002 0.0000 . 1 . . . . . 5 ALA HB1 . 50469 1 37 . 1 . 1 5 5 ALA C C 13 177.5830 0.0000 . 1 . . . . . 5 ALA C . 50469 1 38 . 1 . 1 5 5 ALA CA C 13 52.6650 0.0000 . 1 . . . . . 5 ALA CA . 50469 1 39 . 1 . 1 5 5 ALA CB C 13 19.0500 0.0000 . 1 . . . . . 5 ALA CB . 50469 1 40 . 1 . 1 5 5 ALA N N 15 122.9450 0.0000 . 1 . . . . . 5 ALA N . 50469 1 41 . 1 . 1 6 6 PHE H H 1 8.0490 0.0000 . 1 . . . . . 6 PHE H . 50469 1 42 . 1 . 1 6 6 PHE HA H 1 4.5200 0.0000 . 1 . . . . . 6 PHE HA . 50469 1 43 . 1 . 1 6 6 PHE HB2 H 1 2.9858 0.0000 . 2 . . . . . 6 PHE HB2 . 50469 1 44 . 1 . 1 6 6 PHE HB3 H 1 2.9858 0.0000 . 2 . . . . . 6 PHE HB3 . 50469 1 45 . 1 . 1 6 6 PHE HD1 H 1 7.0610 0.0000 . 3 . . . . . 6 PHE HD1 . 50469 1 46 . 1 . 1 6 6 PHE HD2 H 1 7.0610 0.0000 . 3 . . . . . 6 PHE HD2 . 50469 1 47 . 1 . 1 6 6 PHE HE1 H 1 7.1430 0.0000 . 3 . . . . . 6 PHE HE1 . 50469 1 48 . 1 . 1 6 6 PHE HE2 H 1 7.1430 0.0000 . 3 . . . . . 6 PHE HE2 . 50469 1 49 . 1 . 1 6 6 PHE C C 13 175.6280 0.0000 . 1 . . . . . 6 PHE C . 50469 1 50 . 1 . 1 6 6 PHE CA C 13 57.8200 0.0000 . 1 . . . . . 6 PHE CA . 50469 1 51 . 1 . 1 6 6 PHE CB C 13 39.4690 0.0000 . 1 . . . . . 6 PHE CB . 50469 1 52 . 1 . 1 6 6 PHE CD1 C 13 131.2900 0.0000 . 3 . . . . . 6 PHE CD1 . 50469 1 53 . 1 . 1 6 6 PHE CD2 C 13 130.9200 0.0000 . 3 . . . . . 6 PHE CD2 . 50469 1 54 . 1 . 1 6 6 PHE CE1 C 13 133.1300 0.0000 . 3 . . . . . 6 PHE CE1 . 50469 1 55 . 1 . 1 6 6 PHE CE2 C 13 133.1300 0.0000 . 3 . . . . . 6 PHE CE2 . 50469 1 56 . 1 . 1 6 6 PHE N N 15 118.8420 0.0000 . 1 . . . . . 6 PHE N . 50469 1 57 . 1 . 1 7 7 GLU H H 1 8.1590 0.0000 . 1 . . . . . 7 GLU H . 50469 1 58 . 1 . 1 7 7 GLU HA H 1 4.2940 0.0000 . 1 . . . . . 7 GLU HA . 50469 1 59 . 1 . 1 7 7 GLU HB2 H 1 2.0610 0.0000 . 2 . . . . . 7 GLU HB2 . 50469 1 60 . 1 . 1 7 7 GLU HB3 H 1 1.9770 0.0000 . 2 . . . . . 7 GLU HB3 . 50469 1 61 . 1 . 1 7 7 GLU HG2 H 1 2.3460 0.0000 . 2 . . . . . 7 GLU HG2 . 50469 1 62 . 1 . 1 7 7 GLU HG3 H 1 2.3460 0.0000 . 2 . . . . . 7 GLU HG3 . 50469 1 63 . 1 . 1 7 7 GLU C C 13 176.1270 0.0000 . 1 . . . . . 7 GLU C . 50469 1 64 . 1 . 1 7 7 GLU CA C 13 56.3780 0.0000 . 1 . . . . . 7 GLU CA . 50469 1 65 . 1 . 1 7 7 GLU CB C 13 30.3530 0.0000 . 1 . . . . . 7 GLU CB . 50469 1 66 . 1 . 1 7 7 GLU CG C 13 33.9000 0.0000 . 1 . . . . . 7 GLU CG . 50469 1 67 . 1 . 1 7 7 GLU N N 15 122.2310 0.0000 . 1 . . . . . 7 GLU N . 50469 1 68 . 1 . 1 8 8 TYR H H 1 8.1280 0.0000 . 1 . . . . . 8 TYR H . 50469 1 69 . 1 . 1 8 8 TYR HA H 1 4.4630 0.0000 . 1 . . . . . 8 TYR HA . 50469 1 70 . 1 . 1 8 8 TYR HB2 H 1 3.0250 0.0000 . 2 . . . . . 8 TYR HB2 . 50469 1 71 . 1 . 1 8 8 TYR HB3 H 1 2.9410 0.0000 . 2 . . . . . 8 TYR HB3 . 50469 1 72 . 1 . 1 8 8 TYR HD1 H 1 6.2170 0.0000 . 3 . . . . . 8 TYR HD1 . 50469 1 73 . 1 . 1 8 8 TYR HD2 H 1 6.2170 0.0000 . 3 . . . . . 8 TYR HD2 . 50469 1 74 . 1 . 1 8 8 TYR HE1 H 1 6.2730 0.0000 . 3 . . . . . 8 TYR HE1 . 50469 1 75 . 1 . 1 8 8 TYR HE2 H 1 6.2730 0.0000 . 3 . . . . . 8 TYR HE2 . 50469 1 76 . 1 . 1 8 8 TYR C C 13 176.2210 0.0000 . 1 . . . . . 8 TYR C . 50469 1 77 . 1 . 1 8 8 TYR CA C 13 58.4710 0.0000 . 1 . . . . . 8 TYR CA . 50469 1 78 . 1 . 1 8 8 TYR CB C 13 38.6030 0.0000 . 1 . . . . . 8 TYR CB . 50469 1 79 . 1 . 1 8 8 TYR CD1 C 13 130.6400 0.0000 . 3 . . . . . 8 TYR CD1 . 50469 1 80 . 1 . 1 8 8 TYR CD2 C 13 130.6400 0.0000 . 3 . . . . . 8 TYR CD2 . 50469 1 81 . 1 . 1 8 8 TYR CE1 C 13 117.4200 0.0000 . 3 . . . . . 8 TYR CE1 . 50469 1 82 . 1 . 1 8 8 TYR CE2 C 13 117.4200 0.0000 . 3 . . . . . 8 TYR CE2 . 50469 1 83 . 1 . 1 8 8 TYR N N 15 121.3530 0.0000 . 1 . . . . . 8 TYR N . 50469 1 84 . 1 . 1 9 9 SER H H 1 8.1770 0.0000 . 1 . . . . . 9 SER H . 50469 1 85 . 1 . 1 9 9 SER HA H 1 4.4795 0.0000 . 1 . . . . . 9 SER HA . 50469 1 86 . 1 . 1 9 9 SER HB2 H 1 3.8710 0.0000 . 2 . . . . . 9 SER HB2 . 50469 1 87 . 1 . 1 9 9 SER HB3 H 1 3.8150 0.0000 . 2 . . . . . 9 SER HB3 . 50469 1 88 . 1 . 1 9 9 SER C C 13 174.5440 0.0000 . 1 . . . . . 9 SER C . 50469 1 89 . 1 . 1 9 9 SER CA C 13 58.5590 0.0000 . 1 . . . . . 9 SER CA . 50469 1 90 . 1 . 1 9 9 SER CB C 13 63.6950 0.0000 . 1 . . . . . 9 SER CB . 50469 1 91 . 1 . 1 9 9 SER N N 15 116.7900 0.0000 . 1 . . . . . 9 SER N . 50469 1 92 . 1 . 1 10 10 LYS H H 1 8.1740 0.0000 . 1 . . . . . 10 LYS H . 50469 1 93 . 1 . 1 10 10 LYS HA H 1 4.3220 0.0000 . 1 . . . . . 10 LYS HA . 50469 1 94 . 1 . 1 10 10 LYS HB2 H 1 1.8510 0.0000 . 2 . . . . . 10 LYS HB2 . 50469 1 95 . 1 . 1 10 10 LYS HB3 H 1 1.7290 0.0000 . 2 . . . . . 10 LYS HB3 . 50469 1 96 . 1 . 1 10 10 LYS HG2 H 1 1.4910 0.0000 . 2 . . . . . 10 LYS HG2 . 50469 1 97 . 1 . 1 10 10 LYS HG3 H 1 1.3990 0.0000 . 2 . . . . . 10 LYS HG3 . 50469 1 98 . 1 . 1 10 10 LYS HD2 H 1 1.6820 0.0000 . 2 . . . . . 10 LYS HD2 . 50469 1 99 . 1 . 1 10 10 LYS HD3 H 1 1.6820 0.0000 . 2 . . . . . 10 LYS HD3 . 50469 1 100 . 1 . 1 10 10 LYS HE2 H 1 2.9940 0.0000 . 2 . . . . . 10 LYS HE2 . 50469 1 101 . 1 . 1 10 10 LYS HE3 H 1 2.9390 0.0000 . 2 . . . . . 10 LYS HE3 . 50469 1 102 . 1 . 1 10 10 LYS C C 13 176.6910 0.0000 . 1 . . . . . 10 LYS C . 50469 1 103 . 1 . 1 10 10 LYS CA C 13 56.6020 0.0000 . 1 . . . . . 10 LYS CA . 50469 1 104 . 1 . 1 10 10 LYS CB C 13 32.9890 0.0000 . 1 . . . . . 10 LYS CB . 50469 1 105 . 1 . 1 10 10 LYS CG C 13 24.4160 0.0000 . 1 . . . . . 10 LYS CG . 50469 1 106 . 1 . 1 10 10 LYS CD C 13 28.8760 0.0000 . 1 . . . . . 10 LYS CD . 50469 1 107 . 1 . 1 10 10 LYS CE C 13 42.1400 0.0000 . 1 . . . . . 10 LYS CE . 50469 1 108 . 1 . 1 10 10 LYS N N 15 122.8280 0.0000 . 1 . . . . . 10 LYS N . 50469 1 109 . 1 . 1 11 11 SER H H 1 8.2150 0.0000 . 1 . . . . . 11 SER H . 50469 1 110 . 1 . 1 11 11 SER HA H 1 4.4730 0.0000 . 1 . . . . . 11 SER HA . 50469 1 111 . 1 . 1 11 11 SER HB2 H 1 3.8240 0.0000 . 2 . . . . . 11 SER HB2 . 50469 1 112 . 1 . 1 11 11 SER HB3 H 1 3.8240 0.0000 . 2 . . . . . 11 SER HB3 . 50469 1 113 . 1 . 1 11 11 SER C C 13 174.6740 0.0000 . 1 . . . . . 11 SER C . 50469 1 114 . 1 . 1 11 11 SER CA C 13 58.3260 0.0000 . 1 . . . . . 11 SER CA . 50469 1 115 . 1 . 1 11 11 SER CB C 13 63.7330 0.0000 . 1 . . . . . 11 SER CB . 50469 1 116 . 1 . 1 11 11 SER N N 15 116.5700 0.0000 . 1 . . . . . 11 SER N . 50469 1 117 . 1 . 1 12 12 ILE H H 1 8.1190 0.0000 . 1 . . . . . 12 ILE H . 50469 1 118 . 1 . 1 12 12 ILE HA H 1 4.1680 0.0000 . 1 . . . . . 12 ILE HA . 50469 1 119 . 1 . 1 12 12 ILE HB H 1 1.8330 0.0000 . 1 . . . . . 12 ILE HB . 50469 1 120 . 1 . 1 12 12 ILE HG12 H 1 1.4760 0.0000 . 2 . . . . . 12 ILE HG12 . 50469 1 121 . 1 . 1 12 12 ILE HG13 H 1 1.1760 0.0000 . 2 . . . . . 12 ILE HG13 . 50469 1 122 . 1 . 1 12 12 ILE HG21 H 1 0.8910 0.0000 . 1 . . . . . 12 ILE HG21 . 50469 1 123 . 1 . 1 12 12 ILE HG22 H 1 0.8910 0.0000 . 1 . . . . . 12 ILE HG21 . 50469 1 124 . 1 . 1 12 12 ILE HG23 H 1 0.8910 0.0000 . 1 . . . . . 12 ILE HG21 . 50469 1 125 . 1 . 1 12 12 ILE HD11 H 1 0.8490 0.0000 . 1 . . . . . 12 ILE HD11 . 50469 1 126 . 1 . 1 12 12 ILE HD12 H 1 0.8490 0.0000 . 1 . . . . . 12 ILE HD11 . 50469 1 127 . 1 . 1 12 12 ILE HD13 H 1 0.8490 0.0000 . 1 . . . . . 12 ILE HD11 . 50469 1 128 . 1 . 1 12 12 ILE C C 13 176.7510 0.0000 . 1 . . . . . 12 ILE C . 50469 1 129 . 1 . 1 12 12 ILE CA C 13 61.3780 0.0000 . 1 . . . . . 12 ILE CA . 50469 1 130 . 1 . 1 12 12 ILE CB C 13 38.5950 0.0000 . 1 . . . . . 12 ILE CB . 50469 1 131 . 1 . 1 12 12 ILE CG1 C 13 26.8900 0.0000 . 1 . . . . . 12 ILE CG1 . 50469 1 132 . 1 . 1 12 12 ILE CG2 C 13 17.1400 0.0000 . 1 . . . . . 12 ILE CG2 . 50469 1 133 . 1 . 1 12 12 ILE CD1 C 13 13.1000 0.0000 . 1 . . . . . 12 ILE CD1 . 50469 1 134 . 1 . 1 12 12 ILE N N 15 122.2410 0.0000 . 1 . . . . . 12 ILE N . 50469 1 135 . 1 . 1 13 13 GLY H H 1 8.4220 0.0000 . 1 . . . . . 13 GLY H . 50469 1 136 . 1 . 1 13 13 GLY HA2 H 1 3.9650 0.0000 . 2 . . . . . 13 GLY HA2 . 50469 1 137 . 1 . 1 13 13 GLY HA3 H 1 3.9650 0.0000 . 2 . . . . . 13 GLY HA3 . 50469 1 138 . 1 . 1 13 13 GLY C C 13 174.5060 0.0000 . 1 . . . . . 13 GLY C . 50469 1 139 . 1 . 1 13 13 GLY CA C 13 45.2620 0.0000 . 1 . . . . . 13 GLY CA . 50469 1 140 . 1 . 1 13 13 GLY N N 15 112.4280 0.0000 . 1 . . . . . 13 GLY N . 50469 1 141 . 1 . 1 14 14 GLY H H 1 8.2260 0.0000 . 1 . . . . . 14 GLY H . 50469 1 142 . 1 . 1 14 14 GLY HA2 H 1 3.9750 0.0000 . 2 . . . . . 14 GLY HA2 . 50469 1 143 . 1 . 1 14 14 GLY HA3 H 1 3.9750 0.0000 . 2 . . . . . 14 GLY HA3 . 50469 1 144 . 1 . 1 14 14 GLY C C 13 173.9590 0.0000 . 1 . . . . . 14 GLY C . 50469 1 145 . 1 . 1 14 14 GLY CA C 13 45.0710 0.0000 . 1 . . . . . 14 GLY CA . 50469 1 146 . 1 . 1 14 14 GLY N N 15 108.5640 0.0000 . 1 . . . . . 14 GLY N . 50469 1 147 . 1 . 1 15 15 THR H H 1 8.1170 0.0000 . 1 . . . . . 15 THR H . 50469 1 148 . 1 . 1 15 15 THR HA H 1 4.6210 0.0000 . 1 . . . . . 15 THR HA . 50469 1 149 . 1 . 1 15 15 THR HB H 1 4.1490 0.0000 . 1 . . . . . 15 THR HB . 50469 1 150 . 1 . 1 15 15 THR HG21 H 1 1.2390 0.0000 . 1 . . . . . 15 THR HG21 . 50469 1 151 . 1 . 1 15 15 THR HG22 H 1 1.2390 0.0000 . 1 . . . . . 15 THR HG21 . 50469 1 152 . 1 . 1 15 15 THR HG23 H 1 1.2390 0.0000 . 1 . . . . . 15 THR HG21 . 50469 1 153 . 1 . 1 15 15 THR C C 13 172.8930 0.0000 . 1 . . . . . 15 THR C . 50469 1 154 . 1 . 1 15 15 THR CA C 13 59.8520 0.0000 . 1 . . . . . 15 THR CA . 50469 1 155 . 1 . 1 15 15 THR CB C 13 69.7410 0.0000 . 1 . . . . . 15 THR CB . 50469 1 156 . 1 . 1 15 15 THR CG2 C 13 21.6800 0.0000 . 1 . . . . . 15 THR CG2 . 50469 1 157 . 1 . 1 15 15 THR N N 15 116.1960 0.0000 . 1 . . . . . 15 THR N . 50469 1 158 . 1 . 1 16 16 PRO HA H 1 4.3790 0.0000 . 1 . . . . . 16 PRO HA . 50469 1 159 . 1 . 1 16 16 PRO HB2 H 1 2.2740 0.0000 . 2 . . . . . 16 PRO HB2 . 50469 1 160 . 1 . 1 16 16 PRO HB3 H 1 1.8700 0.0000 . 2 . . . . . 16 PRO HB3 . 50469 1 161 . 1 . 1 16 16 PRO HG2 H 1 2.0320 0.0000 . 2 . . . . . 16 PRO HG2 . 50469 1 162 . 1 . 1 16 16 PRO HG3 H 1 1.9880 0.0000 . 2 . . . . . 16 PRO HG3 . 50469 1 163 . 1 . 1 16 16 PRO HD2 H 1 3.7120 0.0000 . 2 . . . . . 16 PRO HD2 . 50469 1 164 . 1 . 1 16 16 PRO HD3 H 1 3.8580 0.0000 . 2 . . . . . 16 PRO HD3 . 50469 1 165 . 1 . 1 16 16 PRO C C 13 176.5820 0.0000 . 1 . . . . . 16 PRO C . 50469 1 166 . 1 . 1 16 16 PRO CA C 13 63.2980 0.0000 . 1 . . . . . 16 PRO CA . 50469 1 167 . 1 . 1 16 16 PRO CB C 13 32.0730 0.0000 . 1 . . . . . 16 PRO CB . 50469 1 168 . 1 . 1 16 16 PRO CG C 13 27.2330 0.0000 . 1 . . . . . 16 PRO CG . 50469 1 169 . 1 . 1 16 16 PRO CD C 13 51.1400 0.0000 . 1 . . . . . 16 PRO CD . 50469 1 170 . 1 . 1 17 17 ALA H H 1 8.3450 0.0000 . 1 . . . . . 17 ALA H . 50469 1 171 . 1 . 1 17 17 ALA HA H 1 4.3722 0.0000 . 1 . . . . . 17 ALA HA . 50469 1 172 . 1 . 1 17 17 ALA HB1 H 1 1.3783 0.0000 . 1 . . . . . 17 ALA HB1 . 50469 1 173 . 1 . 1 17 17 ALA HB2 H 1 1.3783 0.0000 . 1 . . . . . 17 ALA HB1 . 50469 1 174 . 1 . 1 17 17 ALA HB3 H 1 1.3783 0.0000 . 1 . . . . . 17 ALA HB1 . 50469 1 175 . 1 . 1 17 17 ALA C C 13 177.7860 0.0000 . 1 . . . . . 17 ALA C . 50469 1 176 . 1 . 1 17 17 ALA CA C 13 52.4120 0.0000 . 1 . . . . . 17 ALA CA . 50469 1 177 . 1 . 1 17 17 ALA CB C 13 19.0670 0.0000 . 1 . . . . . 17 ALA CB . 50469 1 178 . 1 . 1 17 17 ALA N N 15 124.0450 0.0000 . 1 . . . . . 17 ALA N . 50469 1 179 . 1 . 1 18 18 LEU H H 1 8.1680 0.0000 . 1 . . . . . 18 LEU H . 50469 1 180 . 1 . 1 18 18 LEU HA H 1 4.2835 0.0000 . 1 . . . . . 18 LEU HA . 50469 1 181 . 1 . 1 18 18 LEU HB2 H 1 1.5889 0.0000 . 2 . . . . . 18 LEU HB2 . 50469 1 182 . 1 . 1 18 18 LEU HB3 H 1 1.5889 0.0000 . 2 . . . . . 18 LEU HB3 . 50469 1 183 . 1 . 1 18 18 LEU HG H 1 1.3463 0.0000 . 1 . . . . . 18 LEU HG . 50469 1 184 . 1 . 1 18 18 LEU HD11 H 1 0.9220 0.0000 . 2 . . . . . 18 LEU HD11 . 50469 1 185 . 1 . 1 18 18 LEU HD12 H 1 0.9220 0.0000 . 2 . . . . . 18 LEU HD11 . 50469 1 186 . 1 . 1 18 18 LEU HD13 H 1 0.9220 0.0000 . 2 . . . . . 18 LEU HD11 . 50469 1 187 . 1 . 1 18 18 LEU HD21 H 1 0.8670 0.0000 . 2 . . . . . 18 LEU HD21 . 50469 1 188 . 1 . 1 18 18 LEU HD22 H 1 0.8670 0.0000 . 2 . . . . . 18 LEU HD21 . 50469 1 189 . 1 . 1 18 18 LEU HD23 H 1 0.8670 0.0000 . 2 . . . . . 18 LEU HD21 . 50469 1 190 . 1 . 1 18 18 LEU C C 13 177.0470 0.0000 . 1 . . . . . 18 LEU C . 50469 1 191 . 1 . 1 18 18 LEU CA C 13 55.2140 0.0000 . 1 . . . . . 18 LEU CA . 50469 1 192 . 1 . 1 18 18 LEU CB C 13 42.3700 0.0000 . 1 . . . . . 18 LEU CB . 50469 1 193 . 1 . 1 18 18 LEU CG C 13 26.9980 0.0000 . 1 . . . . . 18 LEU CG . 50469 1 194 . 1 . 1 18 18 LEU CD1 C 13 24.5330 0.0000 . 2 . . . . . 18 LEU CD1 . 50469 1 195 . 1 . 1 18 18 LEU CD2 C 13 23.7110 0.0000 . 2 . . . . . 18 LEU CD2 . 50469 1 196 . 1 . 1 18 18 LEU N N 15 121.1300 0.0000 . 1 . . . . . 18 LEU N . 50469 1 197 . 1 . 1 19 19 ASP H H 1 8.2610 0.0000 . 1 . . . . . 19 ASP H . 50469 1 198 . 1 . 1 19 19 ASP HA H 1 4.6710 0.0000 . 1 . . . . . 19 ASP HA . 50469 1 199 . 1 . 1 19 19 ASP HB2 H 1 2.6780 0.0000 . 2 . . . . . 19 ASP HB2 . 50469 1 200 . 1 . 1 19 19 ASP HB3 H 1 2.6030 0.0000 . 2 . . . . . 19 ASP HB3 . 50469 1 201 . 1 . 1 19 19 ASP C C 13 176.1700 0.0000 . 1 . . . . . 19 ASP C . 50469 1 202 . 1 . 1 19 19 ASP CA C 13 54.1510 0.0000 . 1 . . . . . 19 ASP CA . 50469 1 203 . 1 . 1 19 19 ASP CB C 13 41.0200 0.0000 . 1 . . . . . 19 ASP CB . 50469 1 204 . 1 . 1 19 19 ASP N N 15 120.8460 0.0000 . 1 . . . . . 19 ASP N . 50469 1 205 . 1 . 1 20 20 ARG H H 1 8.1720 0.0000 . 1 . . . . . 20 ARG H . 50469 1 206 . 1 . 1 20 20 ARG HA H 1 4.2940 0.0000 . 1 . . . . . 20 ARG HA . 50469 1 207 . 1 . 1 20 20 ARG HB2 H 1 1.8700 0.0000 . 2 . . . . . 20 ARG HB2 . 50469 1 208 . 1 . 1 20 20 ARG HB3 H 1 1.7290 0.0000 . 2 . . . . . 20 ARG HB3 . 50469 1 209 . 1 . 1 20 20 ARG HG2 H 1 1.6320 0.0000 . 2 . . . . . 20 ARG HG2 . 50469 1 210 . 1 . 1 20 20 ARG HG3 H 1 1.5600 0.0000 . 2 . . . . . 20 ARG HG3 . 50469 1 211 . 1 . 1 20 20 ARG HD2 H 1 3.1970 0.0000 . 2 . . . . . 20 ARG HD2 . 50469 1 212 . 1 . 1 20 20 ARG HD3 H 1 3.1970 0.0000 . 2 . . . . . 20 ARG HD3 . 50469 1 213 . 1 . 1 20 20 ARG C C 13 176.1700 0.0000 . 1 . . . . . 20 ARG C . 50469 1 214 . 1 . 1 20 20 ARG CA C 13 56.1300 0.0000 . 1 . . . . . 20 ARG CA . 50469 1 215 . 1 . 1 20 20 ARG CB C 13 30.4770 0.0000 . 1 . . . . . 20 ARG CB . 50469 1 216 . 1 . 1 20 20 ARG CG C 13 26.9980 0.0000 . 1 . . . . . 20 ARG CG . 50469 1 217 . 1 . 1 20 20 ARG CD C 13 43.3150 0.0000 . 1 . . . . . 20 ARG CD . 50469 1 218 . 1 . 1 20 20 ARG N N 15 121.6200 0.0000 . 1 . . . . . 20 ARG N . 50469 1 219 . 1 . 1 21 21 ARG H H 1 8.3510 0.0000 . 1 . . . . . 21 ARG H . 50469 1 220 . 1 . 1 21 21 ARG HA H 1 4.3030 0.0000 . 1 . . . . . 21 ARG HA . 50469 1 221 . 1 . 1 21 21 ARG HB2 H 1 1.8130 0.0000 . 2 . . . . . 21 ARG HB2 . 50469 1 222 . 1 . 1 21 21 ARG HB3 H 1 1.7760 0.0000 . 2 . . . . . 21 ARG HB3 . 50469 1 223 . 1 . 1 21 21 ARG HG2 H 1 1.5640 0.0000 . 2 . . . . . 21 ARG HG2 . 50469 1 224 . 1 . 1 21 21 ARG HG3 H 1 1.5640 0.0000 . 2 . . . . . 21 ARG HG3 . 50469 1 225 . 1 . 1 21 21 ARG HD2 H 1 3.3240 0.0000 . 2 . . . . . 21 ARG HD2 . 50469 1 226 . 1 . 1 21 21 ARG HD3 H 1 3.3240 0.0000 . 2 . . . . . 21 ARG HD3 . 50469 1 227 . 1 . 1 21 21 ARG C C 13 176.5630 0.0000 . 1 . . . . . 21 ARG C . 50469 1 228 . 1 . 1 21 21 ARG CA C 13 56.0690 0.0000 . 1 . . . . . 21 ARG CA . 50469 1 229 . 1 . 1 21 21 ARG CB C 13 30.5480 0.0000 . 1 . . . . . 21 ARG CB . 50469 1 230 . 1 . 1 21 21 ARG CG C 13 26.8810 0.0000 . 1 . . . . . 21 ARG CG . 50469 1 231 . 1 . 1 21 21 ARG CD C 13 43.0800 0.0000 . 1 . . . . . 21 ARG CD . 50469 1 232 . 1 . 1 21 21 ARG N N 15 121.9740 0.0000 . 1 . . . . . 21 ARG N . 50469 1 233 . 1 . 1 22 22 VAL H H 1 8.1420 0.0000 . 1 . . . . . 22 VAL H . 50469 1 234 . 1 . 1 22 22 VAL HA H 1 4.0590 0.0000 . 1 . . . . . 22 VAL HA . 50469 1 235 . 1 . 1 22 22 VAL HB H 1 2.0670 0.0000 . 1 . . . . . 22 VAL HB . 50469 1 236 . 1 . 1 22 22 VAL HG11 H 1 0.9480 0.0000 . 2 . . . . . 22 VAL HG11 . 50469 1 237 . 1 . 1 22 22 VAL HG12 H 1 0.9480 0.0000 . 2 . . . . . 22 VAL HG11 . 50469 1 238 . 1 . 1 22 22 VAL HG13 H 1 0.9480 0.0000 . 2 . . . . . 22 VAL HG11 . 50469 1 239 . 1 . 1 22 22 VAL HG21 H 1 0.9270 0.0000 . 2 . . . . . 22 VAL HG21 . 50469 1 240 . 1 . 1 22 22 VAL HG22 H 1 0.9270 0.0000 . 2 . . . . . 22 VAL HG21 . 50469 1 241 . 1 . 1 22 22 VAL HG23 H 1 0.9270 0.0000 . 2 . . . . . 22 VAL HG21 . 50469 1 242 . 1 . 1 22 22 VAL C C 13 176.1050 0.0000 . 1 . . . . . 22 VAL C . 50469 1 243 . 1 . 1 22 22 VAL CA C 13 62.5540 0.0000 . 1 . . . . . 22 VAL CA . 50469 1 244 . 1 . 1 22 22 VAL CB C 13 32.5370 0.0000 . 1 . . . . . 22 VAL CB . 50469 1 245 . 1 . 1 22 22 VAL CG1 C 13 20.8200 0.0000 . 2 . . . . . 22 VAL CG1 . 50469 1 246 . 1 . 1 22 22 VAL CG2 C 13 20.6800 0.0000 . 2 . . . . . 22 VAL CG2 . 50469 1 247 . 1 . 1 22 22 VAL N N 15 120.8710 0.0000 . 1 . . . . . 22 VAL N . 50469 1 248 . 1 . 1 23 23 GLN H H 1 8.3850 0.0000 . 1 . . . . . 23 GLN H . 50469 1 249 . 1 . 1 23 23 GLN HA H 1 4.2940 0.0000 . 1 . . . . . 23 GLN HA . 50469 1 250 . 1 . 1 23 23 GLN HB2 H 1 2.0570 0.0000 . 2 . . . . . 23 GLN HB2 . 50469 1 251 . 1 . 1 23 23 GLN HB3 H 1 1.9450 0.0000 . 2 . . . . . 23 GLN HB3 . 50469 1 252 . 1 . 1 23 23 GLN HG2 H 1 2.3430 0.0000 . 2 . . . . . 23 GLN HG2 . 50469 1 253 . 1 . 1 23 23 GLN HG3 H 1 2.3430 0.0000 . 2 . . . . . 23 GLN HG3 . 50469 1 254 . 1 . 1 23 23 GLN HE21 H 1 7.5570 0.0000 . 2 . . . . . 23 GLN HE21 . 50469 1 255 . 1 . 1 23 23 GLN HE22 H 1 6.8350 0.0000 . 2 . . . . . 23 GLN HE22 . 50469 1 256 . 1 . 1 23 23 GLN C C 13 175.4330 0.0000 . 1 . . . . . 23 GLN C . 50469 1 257 . 1 . 1 23 23 GLN CA C 13 55.9410 0.0000 . 1 . . . . . 23 GLN CA . 50469 1 258 . 1 . 1 23 23 GLN CB C 13 29.6060 0.0000 . 1 . . . . . 23 GLN CB . 50469 1 259 . 1 . 1 23 23 GLN CG C 13 33.6890 0.0000 . 1 . . . . . 23 GLN CG . 50469 1 260 . 1 . 1 23 23 GLN N N 15 123.2730 0.0000 . 1 . . . . . 23 GLN N . 50469 1 261 . 1 . 1 23 23 GLN NE2 N 15 112.4020 0.0000 . 1 . . . . . 23 GLN NE2 . 50469 1 262 . 1 . 1 24 24 ASP H H 1 8.3850 0.0000 . 1 . . . . . 24 ASP H . 50469 1 263 . 1 . 1 24 24 ASP HA H 1 4.6040 0.0000 . 1 . . . . . 24 ASP HA . 50469 1 264 . 1 . 1 24 24 ASP HB2 H 1 2.7250 0.0000 . 2 . . . . . 24 ASP HB2 . 50469 1 265 . 1 . 1 24 24 ASP HB3 H 1 2.6120 0.0000 . 2 . . . . . 24 ASP HB3 . 50469 1 266 . 1 . 1 24 24 ASP C C 13 176.5820 0.0000 . 1 . . . . . 24 ASP C . 50469 1 267 . 1 . 1 24 24 ASP CA C 13 54.3870 0.0000 . 1 . . . . . 24 ASP CA . 50469 1 268 . 1 . 1 24 24 ASP CB C 13 41.3650 0.0000 . 1 . . . . . 24 ASP CB . 50469 1 269 . 1 . 1 24 24 ASP N N 15 122.3140 0.0000 . 1 . . . . . 24 ASP N . 50469 1 270 . 1 . 1 25 25 VAL H H 1 8.1350 0.0000 . 1 . . . . . 25 VAL H . 50469 1 271 . 1 . 1 25 25 VAL HA H 1 4.0590 0.0000 . 1 . . . . . 25 VAL HA . 50469 1 272 . 1 . 1 25 25 VAL HB H 1 2.0950 0.0000 . 1 . . . . . 25 VAL HB . 50469 1 273 . 1 . 1 25 25 VAL HG11 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG11 . 50469 1 274 . 1 . 1 25 25 VAL HG12 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG11 . 50469 1 275 . 1 . 1 25 25 VAL HG13 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG11 . 50469 1 276 . 1 . 1 25 25 VAL HG21 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG21 . 50469 1 277 . 1 . 1 25 25 VAL HG22 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG21 . 50469 1 278 . 1 . 1 25 25 VAL HG23 H 1 0.9190 0.0000 . 2 . . . . . 25 VAL HG21 . 50469 1 279 . 1 . 1 25 25 VAL C C 13 176.0920 0.0000 . 1 . . . . . 25 VAL C . 50469 1 280 . 1 . 1 25 25 VAL CA C 13 62.7060 0.0000 . 1 . . . . . 25 VAL CA . 50469 1 281 . 1 . 1 25 25 VAL CB C 13 32.4420 0.0000 . 1 . . . . . 25 VAL CB . 50469 1 282 . 1 . 1 25 25 VAL CG1 C 13 20.5420 0.0000 . 2 . . . . . 25 VAL CG1 . 50469 1 283 . 1 . 1 25 25 VAL CG2 C 13 19.8380 0.0000 . 2 . . . . . 25 VAL CG2 . 50469 1 284 . 1 . 1 25 25 VAL N N 15 120.3060 0.0000 . 1 . . . . . 25 VAL N . 50469 1 285 . 1 . 1 26 26 ASN H H 1 8.4930 0.0000 . 1 . . . . . 26 ASN H . 50469 1 286 . 1 . 1 26 26 ASN HA H 1 4.7070 0.0000 . 1 . . . . . 26 ASN HA . 50469 1 287 . 1 . 1 26 26 ASN HB2 H 1 2.8280 0.0000 . 2 . . . . . 26 ASN HB2 . 50469 1 288 . 1 . 1 26 26 ASN HB3 H 1 2.7530 0.0000 . 2 . . . . . 26 ASN HB3 . 50469 1 289 . 1 . 1 26 26 ASN HD21 H 1 7.7210 0.0000 . 2 . . . . . 26 ASN HD21 . 50469 1 290 . 1 . 1 26 26 ASN HD22 H 1 6.9470 0.0000 . 2 . . . . . 26 ASN HD22 . 50469 1 291 . 1 . 1 26 26 ASN C C 13 175.1320 0.0000 . 1 . . . . . 26 ASN C . 50469 1 292 . 1 . 1 26 26 ASN CA C 13 53.4990 0.0000 . 1 . . . . . 26 ASN CA . 50469 1 293 . 1 . 1 26 26 ASN CB C 13 38.9410 0.0000 . 1 . . . . . 26 ASN CB . 50469 1 294 . 1 . 1 26 26 ASN N N 15 121.1850 0.0000 . 1 . . . . . 26 ASN N . 50469 1 295 . 1 . 1 26 26 ASN ND2 N 15 113.1240 0.0000 . 1 . . . . . 26 ASN ND2 . 50469 1 296 . 1 . 1 27 27 ASP H H 1 8.2400 0.0000 . 1 . . . . . 27 ASP H . 50469 1 297 . 1 . 1 27 27 ASP HA H 1 4.6320 0.0000 . 1 . . . . . 27 ASP HA . 50469 1 298 . 1 . 1 27 27 ASP HB2 H 1 2.7150 0.0000 . 2 . . . . . 27 ASP HB2 . 50469 1 299 . 1 . 1 27 27 ASP HB3 H 1 2.6870 0.0000 . 2 . . . . . 27 ASP HB3 . 50469 1 300 . 1 . 1 27 27 ASP C C 13 176.4880 0.0000 . 1 . . . . . 27 ASP C . 50469 1 301 . 1 . 1 27 27 ASP CA C 13 54.6390 0.0000 . 1 . . . . . 27 ASP CA . 50469 1 302 . 1 . 1 27 27 ASP CB C 13 41.0540 0.0000 . 1 . . . . . 27 ASP CB . 50469 1 303 . 1 . 1 27 27 ASP N N 15 120.9830 0.0000 . 1 . . . . . 27 ASP N . 50469 1 304 . 1 . 1 28 28 THR H H 1 8.1390 0.0000 . 1 . . . . . 28 THR H . 50469 1 305 . 1 . 1 28 28 THR HA H 1 4.3070 0.0000 . 1 . . . . . 28 THR HA . 50469 1 306 . 1 . 1 28 28 THR HB H 1 4.2440 0.0000 . 1 . . . . . 28 THR HB . 50469 1 307 . 1 . 1 28 28 THR HG21 H 1 1.1900 0.0000 . 1 . . . . . 28 THR HG21 . 50469 1 308 . 1 . 1 28 28 THR HG22 H 1 1.1900 0.0000 . 1 . . . . . 28 THR HG21 . 50469 1 309 . 1 . 1 28 28 THR HG23 H 1 1.1900 0.0000 . 1 . . . . . 28 THR HG21 . 50469 1 310 . 1 . 1 28 28 THR C C 13 174.8750 0.0000 . 1 . . . . . 28 THR C . 50469 1 311 . 1 . 1 28 28 THR CA C 13 62.4450 0.0000 . 1 . . . . . 28 THR CA . 50469 1 312 . 1 . 1 28 28 THR CB C 13 69.7920 0.0000 . 1 . . . . . 28 THR CB . 50469 1 313 . 1 . 1 28 28 THR CG2 C 13 21.4810 0.0000 . 1 . . . . . 28 THR CG2 . 50469 1 314 . 1 . 1 28 28 THR N N 15 114.1480 0.0000 . 1 . . . . . 28 THR N . 50469 1 315 . 1 . 1 29 29 ILE H H 1 8.0929 0.0000 . 1 . . . . . 29 ILE H . 50469 1 316 . 1 . 1 29 29 ILE HA H 1 4.1720 0.0000 . 1 . . . . . 29 ILE HA . 50469 1 317 . 1 . 1 29 29 ILE HB H 1 1.8880 0.0000 . 1 . . . . . 29 ILE HB . 50469 1 318 . 1 . 1 29 29 ILE HG12 H 1 1.4770 0.0000 . 2 . . . . . 29 ILE HG12 . 50469 1 319 . 1 . 1 29 29 ILE HG13 H 1 1.1780 0.0000 . 2 . . . . . 29 ILE HG13 . 50469 1 320 . 1 . 1 29 29 ILE HG21 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HG21 . 50469 1 321 . 1 . 1 29 29 ILE HG22 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HG21 . 50469 1 322 . 1 . 1 29 29 ILE HG23 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HG21 . 50469 1 323 . 1 . 1 29 29 ILE HD11 H 1 0.8480 0.0000 . 1 . . . . . 29 ILE HD11 . 50469 1 324 . 1 . 1 29 29 ILE HD12 H 1 0.8480 0.0000 . 1 . . . . . 29 ILE HD11 . 50469 1 325 . 1 . 1 29 29 ILE HD13 H 1 0.8480 0.0000 . 1 . . . . . 29 ILE HD11 . 50469 1 326 . 1 . 1 29 29 ILE C C 13 176.3750 0.0000 . 1 . . . . . 29 ILE C . 50469 1 327 . 1 . 1 29 29 ILE CA C 13 61.4100 0.0000 . 1 . . . . . 29 ILE CA . 50469 1 328 . 1 . 1 29 29 ILE CB C 13 38.4480 0.0000 . 1 . . . . . 29 ILE CB . 50469 1 329 . 1 . 1 29 29 ILE CG1 C 13 27.2330 0.0000 . 1 . . . . . 29 ILE CG1 . 50469 1 330 . 1 . 1 29 29 ILE CG2 C 13 17.6070 0.0000 . 1 . . . . . 29 ILE CG2 . 50469 1 331 . 1 . 1 29 29 ILE CD1 C 13 12.9120 0.0000 . 1 . . . . . 29 ILE CD1 . 50469 1 332 . 1 . 1 29 29 ILE N N 15 122.5700 0.0000 . 1 . . . . . 29 ILE N . 50469 1 333 . 1 . 1 30 30 SER H H 1 8.2772 0.0000 . 1 . . . . . 30 SER H . 50469 1 334 . 1 . 1 30 30 SER HA H 1 4.4070 0.0000 . 1 . . . . . 30 SER HA . 50469 1 335 . 1 . 1 30 30 SER HB2 H 1 3.8430 0.0000 . 2 . . . . . 30 SER HB2 . 50469 1 336 . 1 . 1 30 30 SER HB3 H 1 3.8150 0.0000 . 2 . . . . . 30 SER HB3 . 50469 1 337 . 1 . 1 30 30 SER C C 13 174.4480 0.0000 . 1 . . . . . 30 SER C . 50469 1 338 . 1 . 1 30 30 SER CA C 13 58.6130 0.0000 . 1 . . . . . 30 SER CA . 50469 1 339 . 1 . 1 30 30 SER CB C 13 63.7650 0.0000 . 1 . . . . . 30 SER CB . 50469 1 340 . 1 . 1 30 30 SER N N 15 119.0780 0.0000 . 1 . . . . . 30 SER N . 50469 1 341 . 1 . 1 31 31 ASP H H 1 8.2140 0.0000 . 1 . . . . . 31 ASP H . 50469 1 342 . 1 . 1 31 31 ASP HA H 1 4.6040 0.0000 . 1 . . . . . 31 ASP HA . 50469 1 343 . 1 . 1 31 31 ASP HB2 H 1 2.7060 0.0000 . 2 . . . . . 31 ASP HB2 . 50469 1 344 . 1 . 1 31 31 ASP HB3 H 1 2.6400 0.0000 . 2 . . . . . 31 ASP HB3 . 50469 1 345 . 1 . 1 31 31 ASP C C 13 177.2590 0.0000 . 1 . . . . . 31 ASP C . 50469 1 346 . 1 . 1 31 31 ASP CA C 13 54.6260 0.0000 . 1 . . . . . 31 ASP CA . 50469 1 347 . 1 . 1 31 31 ASP CB C 13 41.3000 0.0000 . 1 . . . . . 31 ASP CB . 50469 1 348 . 1 . 1 31 31 ASP N N 15 122.6480 0.0000 . 1 . . . . . 31 ASP N . 50469 1 349 . 1 . 1 32 32 VAL H H 1 8.1200 0.0000 . 1 . . . . . 32 VAL H . 50469 1 350 . 1 . 1 32 32 VAL HA H 1 3.9800 0.0000 . 1 . . . . . 32 VAL HA . 50469 1 351 . 1 . 1 32 32 VAL HB H 1 2.1860 0.0000 . 1 . . . . . 32 VAL HB . 50469 1 352 . 1 . 1 32 32 VAL HG11 H 1 0.9880 0.0000 . 2 . . . . . 32 VAL HG11 . 50469 1 353 . 1 . 1 32 32 VAL HG12 H 1 0.9880 0.0000 . 2 . . . . . 32 VAL HG11 . 50469 1 354 . 1 . 1 32 32 VAL HG13 H 1 0.9880 0.0000 . 2 . . . . . 32 VAL HG11 . 50469 1 355 . 1 . 1 32 32 VAL HG21 H 1 0.9890 0.0000 . 2 . . . . . 32 VAL HG21 . 50469 1 356 . 1 . 1 32 32 VAL HG22 H 1 0.9890 0.0000 . 2 . . . . . 32 VAL HG21 . 50469 1 357 . 1 . 1 32 32 VAL HG23 H 1 0.9890 0.0000 . 2 . . . . . 32 VAL HG21 . 50469 1 358 . 1 . 1 32 32 VAL C C 13 177.1680 0.0000 . 1 . . . . . 32 VAL C . 50469 1 359 . 1 . 1 32 32 VAL CA C 13 63.7400 0.0000 . 1 . . . . . 32 VAL CA . 50469 1 360 . 1 . 1 32 32 VAL CB C 13 31.9050 0.0000 . 1 . . . . . 32 VAL CB . 50469 1 361 . 1 . 1 32 32 VAL CG1 C 13 20.9600 0.0000 . 2 . . . . . 32 VAL CG1 . 50469 1 362 . 1 . 1 32 32 VAL CG2 C 13 20.9600 0.0000 . 2 . . . . . 32 VAL CG2 . 50469 1 363 . 1 . 1 32 32 VAL N N 15 120.7500 0.0000 . 1 . . . . . 32 VAL N . 50469 1 364 . 1 . 1 33 33 LYS H H 1 8.2620 0.0000 . 1 . . . . . 33 LYS H . 50469 1 365 . 1 . 1 33 33 LYS HA H 1 4.1910 0.0000 . 1 . . . . . 33 LYS HA . 50469 1 366 . 1 . 1 33 33 LYS HB2 H 1 1.7790 0.0000 . 2 . . . . . 33 LYS HB2 . 50469 1 367 . 1 . 1 33 33 LYS HB3 H 1 1.7760 0.0000 . 2 . . . . . 33 LYS HB3 . 50469 1 368 . 1 . 1 33 33 LYS HG2 H 1 1.5100 0.0000 . 2 . . . . . 33 LYS HG2 . 50469 1 369 . 1 . 1 33 33 LYS HG3 H 1 1.4180 0.0000 . 2 . . . . . 33 LYS HG3 . 50469 1 370 . 1 . 1 33 33 LYS HD2 H 1 1.6250 0.0000 . 2 . . . . . 33 LYS HD2 . 50469 1 371 . 1 . 1 33 33 LYS HD3 H 1 1.6250 0.0000 . 2 . . . . . 33 LYS HD3 . 50469 1 372 . 1 . 1 33 33 LYS HE2 H 1 2.9490 0.0000 . 2 . . . . . 33 LYS HE2 . 50469 1 373 . 1 . 1 33 33 LYS HE3 H 1 2.9490 0.0000 . 2 . . . . . 33 LYS HE3 . 50469 1 374 . 1 . 1 33 33 LYS C C 13 176.8640 0.0000 . 1 . . . . . 33 LYS C . 50469 1 375 . 1 . 1 33 33 LYS CA C 13 57.7920 0.0000 . 1 . . . . . 33 LYS CA . 50469 1 376 . 1 . 1 33 33 LYS CB C 13 32.1870 0.0000 . 1 . . . . . 33 LYS CB . 50469 1 377 . 1 . 1 33 33 LYS CG C 13 25.1100 0.0000 . 1 . . . . . 33 LYS CG . 50469 1 378 . 1 . 1 33 33 LYS CD C 13 28.8760 0.0000 . 1 . . . . . 33 LYS CD . 50469 1 379 . 1 . 1 33 33 LYS CE C 13 42.0500 0.0000 . 1 . . . . . 33 LYS CE . 50469 1 380 . 1 . 1 33 33 LYS N N 15 121.2950 0.0000 . 1 . . . . . 33 LYS N . 50469 1 381 . 1 . 1 34 34 GLN H H 1 7.9200 0.0000 . 1 . . . . . 34 GLN H . 50469 1 382 . 1 . 1 34 34 GLN HA H 1 4.0210 0.0000 . 1 . . . . . 34 GLN HA . 50469 1 383 . 1 . 1 34 34 GLN HB2 H 1 2.1510 0.0000 . 2 . . . . . 34 GLN HB2 . 50469 1 384 . 1 . 1 34 34 GLN HB3 H 1 2.0010 0.0000 . 2 . . . . . 34 GLN HB3 . 50469 1 385 . 1 . 1 34 34 GLN HG2 H 1 2.3000 0.0000 . 2 . . . . . 34 GLN HG2 . 50469 1 386 . 1 . 1 34 34 GLN HG3 H 1 2.2050 0.0000 . 2 . . . . . 34 GLN HG3 . 50469 1 387 . 1 . 1 34 34 GLN HE21 H 1 7.4650 0.0000 . 2 . . . . . 34 GLN HE21 . 50469 1 388 . 1 . 1 34 34 GLN HE22 H 1 6.8270 0.0000 . 2 . . . . . 34 GLN HE22 . 50469 1 389 . 1 . 1 34 34 GLN C C 13 175.5420 0.0000 . 1 . . . . . 34 GLN C . 50469 1 390 . 1 . 1 34 34 GLN CA C 13 56.4270 0.0000 . 1 . . . . . 34 GLN CA . 50469 1 391 . 1 . 1 34 34 GLN CB C 13 28.7980 0.0000 . 1 . . . . . 34 GLN CB . 50469 1 392 . 1 . 1 34 34 GLN CG C 13 34.0420 0.0000 . 1 . . . . . 34 GLN CG . 50469 1 393 . 1 . 1 34 34 GLN N N 15 117.1440 0.0000 . 1 . . . . . 34 GLN N . 50469 1 394 . 1 . 1 34 34 GLN NE2 N 15 111.7230 0.0000 . 1 . . . . . 34 GLN NE2 . 50469 1 395 . 1 . 1 35 35 LYS H H 1 7.7150 0.0000 . 1 . . . . . 35 LYS H . 50469 1 396 . 1 . 1 35 35 LYS HA H 1 4.2380 0.0000 . 1 . . . . . 35 LYS HA . 50469 1 397 . 1 . 1 35 35 LYS HB2 H 1 1.7850 0.0000 . 2 . . . . . 35 LYS HB2 . 50469 1 398 . 1 . 1 35 35 LYS HB3 H 1 1.7850 0.0000 . 2 . . . . . 35 LYS HB3 . 50469 1 399 . 1 . 1 35 35 LYS HG2 H 1 1.4880 0.0000 . 2 . . . . . 35 LYS HG2 . 50469 1 400 . 1 . 1 35 35 LYS HG3 H 1 1.3980 0.0000 . 2 . . . . . 35 LYS HG3 . 50469 1 401 . 1 . 1 35 35 LYS HD2 H 1 1.6820 0.0000 . 2 . . . . . 35 LYS HD2 . 50469 1 402 . 1 . 1 35 35 LYS HD3 H 1 1.6820 0.0000 . 2 . . . . . 35 LYS HD3 . 50469 1 403 . 1 . 1 35 35 LYS HE2 H 1 2.9800 0.0000 . 2 . . . . . 35 LYS HE2 . 50469 1 404 . 1 . 1 35 35 LYS HE3 H 1 2.9800 0.0000 . 2 . . . . . 35 LYS HE3 . 50469 1 405 . 1 . 1 35 35 LYS C C 13 176.3440 0.0000 . 1 . . . . . 35 LYS C . 50469 1 406 . 1 . 1 35 35 LYS CA C 13 56.4250 0.0000 . 1 . . . . . 35 LYS CA . 50469 1 407 . 1 . 1 35 35 LYS CB C 13 33.0830 0.0000 . 1 . . . . . 35 LYS CB . 50469 1 408 . 1 . 1 35 35 LYS CG C 13 24.6510 0.0000 . 1 . . . . . 35 LYS CG . 50469 1 409 . 1 . 1 35 35 LYS CD C 13 28.5240 0.0000 . 1 . . . . . 35 LYS CD . 50469 1 410 . 1 . 1 35 35 LYS CE C 13 42.3760 0.0000 . 1 . . . . . 35 LYS CE . 50469 1 411 . 1 . 1 35 35 LYS N N 15 119.4410 0.0000 . 1 . . . . . 35 LYS N . 50469 1 412 . 1 . 1 36 36 TRP H H 1 8.2002 0.0000 . 1 . . . . . 36 TRP H . 50469 1 413 . 1 . 1 36 36 TRP HA H 1 4.6610 0.0000 . 1 . . . . . 36 TRP HA . 50469 1 414 . 1 . 1 36 36 TRP HB2 H 1 3.1750 0.0000 . 2 . . . . . 36 TRP HB2 . 50469 1 415 . 1 . 1 36 36 TRP HB3 H 1 2.9130 0.0000 . 2 . . . . . 36 TRP HB3 . 50469 1 416 . 1 . 1 36 36 TRP HD1 H 1 7.4700 0.0000 . 1 . . . . . 36 TRP HD1 . 50469 1 417 . 1 . 1 36 36 TRP HE1 H 1 10.3970 0.0000 . 1 . . . . . 36 TRP HE1 . 50469 1 418 . 1 . 1 36 36 TRP HE3 H 1 7.1030 0.0000 . 1 . . . . . 36 TRP HE3 . 50469 1 419 . 1 . 1 36 36 TRP C C 13 175.9100 0.0000 . 1 . . . . . 36 TRP C . 50469 1 420 . 1 . 1 36 36 TRP CA C 13 57.1670 0.0000 . 1 . . . . . 36 TRP CA . 50469 1 421 . 1 . 1 36 36 TRP CB C 13 30.4030 0.0000 . 1 . . . . . 36 TRP CB . 50469 1 422 . 1 . 1 36 36 TRP CD1 C 13 128.6000 0.0000 . 1 . . . . . 36 TRP CD1 . 50469 1 423 . 1 . 1 36 36 TRP CD2 C 13 128.6000 0.0000 . 1 . . . . . 36 TRP CD2 . 50469 1 424 . 1 . 1 36 36 TRP CE2 C 13 133.5800 0.0000 . 1 . . . . . 36 TRP CE2 . 50469 1 425 . 1 . 1 36 36 TRP CE3 C 13 120.4200 0.0000 . 1 . . . . . 36 TRP CE3 . 50469 1 426 . 1 . 1 36 36 TRP CZ2 C 13 114.8300 0.0000 . 1 . . . . . 36 TRP CZ2 . 50469 1 427 . 1 . 1 36 36 TRP CZ3 C 13 123.4100 0.0000 . 1 . . . . . 36 TRP CZ3 . 50469 1 428 . 1 . 1 36 36 TRP N N 15 122.8340 0.0000 . 1 . . . . . 36 TRP N . 50469 1 429 . 1 . 1 37 37 ARG H H 1 9.2960 0.0000 . 1 . . . . . 37 ARG H . 50469 1 430 . 1 . 1 37 37 ARG HA H 1 4.9048 0.0000 . 1 . . . . . 37 ARG HA . 50469 1 431 . 1 . 1 37 37 ARG HB2 H 1 1.8980 0.0000 . 2 . . . . . 37 ARG HB2 . 50469 1 432 . 1 . 1 37 37 ARG HB3 H 1 1.8980 0.0000 . 2 . . . . . 37 ARG HB3 . 50469 1 433 . 1 . 1 37 37 ARG HG2 H 1 1.7200 0.0000 . 2 . . . . . 37 ARG HG2 . 50469 1 434 . 1 . 1 37 37 ARG HG3 H 1 1.6120 0.0000 . 2 . . . . . 37 ARG HG3 . 50469 1 435 . 1 . 1 37 37 ARG HD2 H 1 3.3700 0.0000 . 2 . . . . . 37 ARG HD2 . 50469 1 436 . 1 . 1 37 37 ARG HD3 H 1 3.1400 0.0000 . 2 . . . . . 37 ARG HD3 . 50469 1 437 . 1 . 1 37 37 ARG C C 13 174.6960 0.0000 . 1 . . . . . 37 ARG C . 50469 1 438 . 1 . 1 37 37 ARG CA C 13 55.0540 0.0000 . 1 . . . . . 37 ARG CA . 50469 1 439 . 1 . 1 37 37 ARG CB C 13 32.6330 0.0000 . 1 . . . . . 37 ARG CB . 50469 1 440 . 1 . 1 37 37 ARG CG C 13 26.4110 0.0000 . 1 . . . . . 37 ARG CG . 50469 1 441 . 1 . 1 37 37 ARG CD C 13 42.7280 0.0000 . 1 . . . . . 37 ARG CD . 50469 1 442 . 1 . 1 37 37 ARG N N 15 121.4490 0.0000 . 1 . . . . . 37 ARG N . 50469 1 443 . 1 . 1 38 38 CYS H H 1 8.9700 0.0000 . 1 . . . . . 38 CYS H . 50469 1 444 . 1 . 1 38 38 CYS HA H 1 5.8350 0.0000 . 1 . . . . . 38 CYS HA . 50469 1 445 . 1 . 1 38 38 CYS HB2 H 1 3.2420 0.0000 . 2 . . . . . 38 CYS HB2 . 50469 1 446 . 1 . 1 38 38 CYS HB3 H 1 2.9410 0.0000 . 2 . . . . . 38 CYS HB3 . 50469 1 447 . 1 . 1 38 38 CYS C C 13 174.7610 0.0000 . 1 . . . . . 38 CYS C . 50469 1 448 . 1 . 1 38 38 CYS CA C 13 57.8050 0.0000 . 1 . . . . . 38 CYS CA . 50469 1 449 . 1 . 1 38 38 CYS CB C 13 47.5300 0.0000 . 1 . . . . . 38 CYS CB . 50469 1 450 . 1 . 1 38 38 CYS N N 15 122.2450 0.0000 . 1 . . . . . 38 CYS N . 50469 1 451 . 1 . 1 39 39 VAL H H 1 9.6040 0.0000 . 1 . . . . . 39 VAL H . 50469 1 452 . 1 . 1 39 39 VAL HA H 1 4.9900 0.0000 . 1 . . . . . 39 VAL HA . 50469 1 453 . 1 . 1 39 39 VAL HB H 1 2.4100 0.0000 . 1 . . . . . 39 VAL HB . 50469 1 454 . 1 . 1 39 39 VAL HG11 H 1 1.0450 0.0000 . 2 . . . . . 39 VAL HG11 . 50469 1 455 . 1 . 1 39 39 VAL HG12 H 1 1.0450 0.0000 . 2 . . . . . 39 VAL HG11 . 50469 1 456 . 1 . 1 39 39 VAL HG13 H 1 1.0450 0.0000 . 2 . . . . . 39 VAL HG11 . 50469 1 457 . 1 . 1 39 39 VAL HG21 H 1 1.0010 0.0000 . 2 . . . . . 39 VAL HG21 . 50469 1 458 . 1 . 1 39 39 VAL HG22 H 1 1.0010 0.0000 . 2 . . . . . 39 VAL HG21 . 50469 1 459 . 1 . 1 39 39 VAL HG23 H 1 1.0010 0.0000 . 2 . . . . . 39 VAL HG21 . 50469 1 460 . 1 . 1 39 39 VAL C C 13 174.5220 0.0000 . 1 . . . . . 39 VAL C . 50469 1 461 . 1 . 1 39 39 VAL CA C 13 59.0390 0.0000 . 1 . . . . . 39 VAL CA . 50469 1 462 . 1 . 1 39 39 VAL CB C 13 36.2070 0.0000 . 1 . . . . . 39 VAL CB . 50469 1 463 . 1 . 1 39 39 VAL CG1 C 13 19.6030 0.0000 . 2 . . . . . 39 VAL CG1 . 50469 1 464 . 1 . 1 39 39 VAL CG2 C 13 21.3640 0.0000 . 2 . . . . . 39 VAL CG2 . 50469 1 465 . 1 . 1 39 39 VAL N N 15 117.4000 0.0000 . 1 . . . . . 39 VAL N . 50469 1 466 . 1 . 1 40 40 VAL H H 1 8.5890 0.0000 . 1 . . . . . 40 VAL H . 50469 1 467 . 1 . 1 40 40 VAL HA H 1 3.7300 0.0000 . 1 . . . . . 40 VAL HA . 50469 1 468 . 1 . 1 40 40 VAL HB H 1 1.9730 0.0000 . 1 . . . . . 40 VAL HB . 50469 1 469 . 1 . 1 40 40 VAL HG11 H 1 0.7830 0.0000 . 2 . . . . . 40 VAL HG11 . 50469 1 470 . 1 . 1 40 40 VAL HG12 H 1 0.7830 0.0000 . 2 . . . . . 40 VAL HG11 . 50469 1 471 . 1 . 1 40 40 VAL HG13 H 1 0.7830 0.0000 . 2 . . . . . 40 VAL HG11 . 50469 1 472 . 1 . 1 40 40 VAL HG21 H 1 0.8710 0.0000 . 2 . . . . . 40 VAL HG21 . 50469 1 473 . 1 . 1 40 40 VAL HG22 H 1 0.8710 0.0000 . 2 . . . . . 40 VAL HG21 . 50469 1 474 . 1 . 1 40 40 VAL HG23 H 1 0.8710 0.0000 . 2 . . . . . 40 VAL HG21 . 50469 1 475 . 1 . 1 40 40 VAL C C 13 174.4140 0.0000 . 1 . . . . . 40 VAL C . 50469 1 476 . 1 . 1 40 40 VAL CA C 13 63.1820 0.0000 . 1 . . . . . 40 VAL CA . 50469 1 477 . 1 . 1 40 40 VAL CB C 13 32.6810 0.0000 . 1 . . . . . 40 VAL CB . 50469 1 478 . 1 . 1 40 40 VAL CG1 C 13 20.5600 0.0000 . 2 . . . . . 40 VAL CG1 . 50469 1 479 . 1 . 1 40 40 VAL CG2 C 13 22.8700 0.0000 . 2 . . . . . 40 VAL CG2 . 50469 1 480 . 1 . 1 40 40 VAL N N 15 123.1410 0.0000 . 1 . . . . . 40 VAL N . 50469 1 481 . 1 . 1 41 41 TYR H H 1 8.5490 0.0000 . 1 . . . . . 41 TYR H . 50469 1 482 . 1 . 1 41 41 TYR HA H 1 5.1700 0.0000 . 1 . . . . . 41 TYR HA . 50469 1 483 . 1 . 1 41 41 TYR HB2 H 1 2.8500 0.0000 . 2 . . . . . 41 TYR HB2 . 50469 1 484 . 1 . 1 41 41 TYR HB3 H 1 2.5700 0.0000 . 2 . . . . . 41 TYR HB3 . 50469 1 485 . 1 . 1 41 41 TYR HD1 H 1 7.1430 0.0000 . 3 . . . . . 41 TYR HD1 . 50469 1 486 . 1 . 1 41 41 TYR HD2 H 1 7.1430 0.0000 . 3 . . . . . 41 TYR HD2 . 50469 1 487 . 1 . 1 41 41 TYR HE1 H 1 6.8470 0.0000 . 3 . . . . . 41 TYR HE1 . 50469 1 488 . 1 . 1 41 41 TYR HE2 H 1 6.8470 0.0000 . 3 . . . . . 41 TYR HE2 . 50469 1 489 . 1 . 1 41 41 TYR C C 13 172.8310 0.0000 . 1 . . . . . 41 TYR C . 50469 1 490 . 1 . 1 41 41 TYR CA C 13 50.9130 0.0000 . 1 . . . . . 41 TYR CA . 50469 1 491 . 1 . 1 41 41 TYR CB C 13 38.6980 0.0000 . 1 . . . . . 41 TYR CB . 50469 1 492 . 1 . 1 41 41 TYR CD1 C 13 133.8200 0.0000 . 3 . . . . . 41 TYR CD1 . 50469 1 493 . 1 . 1 41 41 TYR CD2 C 13 133.8200 0.0000 . 3 . . . . . 41 TYR CD2 . 50469 1 494 . 1 . 1 41 41 TYR CE1 C 13 118.4600 0.0000 . 3 . . . . . 41 TYR CE1 . 50469 1 495 . 1 . 1 41 41 TYR CE2 C 13 118.4600 0.0000 . 3 . . . . . 41 TYR CE2 . 50469 1 496 . 1 . 1 41 41 TYR N N 15 130.1220 0.0000 . 1 . . . . . 41 TYR N . 50469 1 497 . 1 . 1 42 42 PRO HA H 1 4.0230 0.0000 . 1 . . . . . 42 PRO HA . 50469 1 498 . 1 . 1 42 42 PRO HB2 H 1 2.2260 0.0000 . 2 . . . . . 42 PRO HB2 . 50469 1 499 . 1 . 1 42 42 PRO HB3 H 1 1.7870 0.0000 . 2 . . . . . 42 PRO HB3 . 50469 1 500 . 1 . 1 42 42 PRO HG2 H 1 2.1020 0.0000 . 2 . . . . . 42 PRO HG2 . 50469 1 501 . 1 . 1 42 42 PRO HG3 H 1 1.8870 0.0000 . 2 . . . . . 42 PRO HG3 . 50469 1 502 . 1 . 1 42 42 PRO HD2 H 1 4.0100 0.0000 . 2 . . . . . 42 PRO HD2 . 50469 1 503 . 1 . 1 42 42 PRO HD3 H 1 3.3100 0.0000 . 2 . . . . . 42 PRO HD3 . 50469 1 504 . 1 . 1 42 42 PRO C C 13 177.0250 0.0000 . 1 . . . . . 42 PRO C . 50469 1 505 . 1 . 1 42 42 PRO CA C 13 64.8200 0.0000 . 1 . . . . . 42 PRO CA . 50469 1 506 . 1 . 1 42 42 PRO CB C 13 31.4770 0.0000 . 1 . . . . . 42 PRO CB . 50469 1 507 . 1 . 1 42 42 PRO CG C 13 27.1900 0.0000 . 1 . . . . . 42 PRO CG . 50469 1 508 . 1 . 1 42 42 PRO CD C 13 50.9900 0.0000 . 1 . . . . . 42 PRO CD . 50469 1 509 . 1 . 1 43 43 GLY H H 1 8.5860 0.0000 . 1 . . . . . 43 GLY H . 50469 1 510 . 1 . 1 43 43 GLY HA2 H 1 4.0120 0.0000 . 2 . . . . . 43 GLY HA2 . 50469 1 511 . 1 . 1 43 43 GLY HA3 H 1 3.5610 0.0000 . 2 . . . . . 43 GLY HA3 . 50469 1 512 . 1 . 1 43 43 GLY C C 13 174.5660 0.0000 . 1 . . . . . 43 GLY C . 50469 1 513 . 1 . 1 43 43 GLY CA C 13 45.3980 0.0000 . 1 . . . . . 43 GLY CA . 50469 1 514 . 1 . 1 43 43 GLY N N 15 113.2500 0.0000 . 1 . . . . . 43 GLY N . 50469 1 515 . 1 . 1 44 44 ASN H H 1 8.5628 0.0000 . 1 . . . . . 44 ASN H . 50469 1 516 . 1 . 1 44 44 ASN HA H 1 4.6610 0.0000 . 1 . . . . . 44 ASN HA . 50469 1 517 . 1 . 1 44 44 ASN HB2 H 1 2.1610 0.0000 . 2 . . . . . 44 ASN HB2 . 50469 1 518 . 1 . 1 44 44 ASN HB3 H 1 1.7290 0.0000 . 2 . . . . . 44 ASN HB3 . 50469 1 519 . 1 . 1 44 44 ASN HD21 H 1 7.6930 0.0000 . 2 . . . . . 44 ASN HD21 . 50469 1 520 . 1 . 1 44 44 ASN HD22 H 1 6.9320 0.0000 . 2 . . . . . 44 ASN HD22 . 50469 1 521 . 1 . 1 44 44 ASN C C 13 173.3730 0.0000 . 1 . . . . . 44 ASN C . 50469 1 522 . 1 . 1 44 44 ASN CA C 13 53.7230 0.0000 . 1 . . . . . 44 ASN CA . 50469 1 523 . 1 . 1 44 44 ASN CB C 13 41.9380 0.0000 . 1 . . . . . 44 ASN CB . 50469 1 524 . 1 . 1 44 44 ASN N N 15 118.3880 0.0000 . 1 . . . . . 44 ASN N . 50469 1 525 . 1 . 1 44 44 ASN ND2 N 15 113.0390 0.0000 . 1 . . . . . 44 ASN ND2 . 50469 1 526 . 1 . 1 45 45 GLY H H 1 7.6990 0.0000 . 1 . . . . . 45 GLY H . 50469 1 527 . 1 . 1 45 45 GLY HA2 H 1 4.3130 0.0000 . 2 . . . . . 45 GLY HA2 . 50469 1 528 . 1 . 1 45 45 GLY HA3 H 1 3.5230 0.0000 . 2 . . . . . 45 GLY HA3 . 50469 1 529 . 1 . 1 45 45 GLY C C 13 172.2020 0.0000 . 1 . . . . . 45 GLY C . 50469 1 530 . 1 . 1 45 45 GLY CA C 13 45.8980 0.0000 . 1 . . . . . 45 GLY CA . 50469 1 531 . 1 . 1 45 45 GLY N N 15 106.4470 0.0000 . 1 . . . . . 45 GLY N . 50469 1 532 . 1 . 1 46 46 PHE H H 1 8.7250 0.0000 . 1 . . . . . 46 PHE H . 50469 1 533 . 1 . 1 46 46 PHE HA H 1 5.3560 0.0000 . 1 . . . . . 46 PHE HA . 50469 1 534 . 1 . 1 46 46 PHE HB2 H 1 2.9080 0.0000 . 2 . . . . . 46 PHE HB2 . 50469 1 535 . 1 . 1 46 46 PHE HB3 H 1 2.7451 0.0000 . 2 . . . . . 46 PHE HB3 . 50469 1 536 . 1 . 1 46 46 PHE HD1 H 1 6.9240 0.0000 . 3 . . . . . 46 PHE HD1 . 50469 1 537 . 1 . 1 46 46 PHE HD2 H 1 6.9240 0.0000 . 3 . . . . . 46 PHE HD2 . 50469 1 538 . 1 . 1 46 46 PHE HE1 H 1 7.4200 0.0000 . 3 . . . . . 46 PHE HE1 . 50469 1 539 . 1 . 1 46 46 PHE HE2 H 1 7.4200 0.0000 . 3 . . . . . 46 PHE HE2 . 50469 1 540 . 1 . 1 46 46 PHE HZ H 1 7.0320 0.0000 . 1 . . . . . 46 PHE HZ . 50469 1 541 . 1 . 1 46 46 PHE C C 13 174.9130 0.0000 . 1 . . . . . 46 PHE C . 50469 1 542 . 1 . 1 46 46 PHE CA C 13 57.1610 0.0000 . 1 . . . . . 46 PHE CA . 50469 1 543 . 1 . 1 46 46 PHE CB C 13 41.7860 0.0000 . 1 . . . . . 46 PHE CB . 50469 1 544 . 1 . 1 46 46 PHE CD1 C 13 132.3300 0.0000 . 3 . . . . . 46 PHE CD1 . 50469 1 545 . 1 . 1 46 46 PHE CD2 C 13 131.5300 0.0000 . 3 . . . . . 46 PHE CD2 . 50469 1 546 . 1 . 1 46 46 PHE CE1 C 13 131.8000 0.0000 . 3 . . . . . 46 PHE CE1 . 50469 1 547 . 1 . 1 46 46 PHE CE2 C 13 131.8000 0.0000 . 3 . . . . . 46 PHE CE2 . 50469 1 548 . 1 . 1 46 46 PHE N N 15 122.6070 0.0000 . 1 . . . . . 46 PHE N . 50469 1 549 . 1 . 1 47 47 VAL H H 1 9.4310 0.0000 . 1 . . . . . 47 VAL H . 50469 1 550 . 1 . 1 47 47 VAL HA H 1 5.3550 0.0000 . 1 . . . . . 47 VAL HA . 50469 1 551 . 1 . 1 47 47 VAL HB H 1 2.9160 0.0000 . 1 . . . . . 47 VAL HB . 50469 1 552 . 1 . 1 47 47 VAL HG11 H 1 0.9290 0.0000 . 2 . . . . . 47 VAL HG11 . 50469 1 553 . 1 . 1 47 47 VAL HG12 H 1 0.9290 0.0000 . 2 . . . . . 47 VAL HG11 . 50469 1 554 . 1 . 1 47 47 VAL HG13 H 1 0.9290 0.0000 . 2 . . . . . 47 VAL HG11 . 50469 1 555 . 1 . 1 47 47 VAL HG21 H 1 1.1130 0.0000 . 2 . . . . . 47 VAL HG21 . 50469 1 556 . 1 . 1 47 47 VAL HG22 H 1 1.1130 0.0000 . 2 . . . . . 47 VAL HG21 . 50469 1 557 . 1 . 1 47 47 VAL HG23 H 1 1.1130 0.0000 . 2 . . . . . 47 VAL HG21 . 50469 1 558 . 1 . 1 47 47 VAL C C 13 173.1560 0.0000 . 1 . . . . . 47 VAL C . 50469 1 559 . 1 . 1 47 47 VAL CA C 13 59.1460 0.0000 . 1 . . . . . 47 VAL CA . 50469 1 560 . 1 . 1 47 47 VAL CB C 13 35.5110 0.0000 . 1 . . . . . 47 VAL CB . 50469 1 561 . 1 . 1 47 47 VAL CG1 C 13 23.0070 0.0000 . 2 . . . . . 47 VAL CG1 . 50469 1 562 . 1 . 1 47 47 VAL CG2 C 13 19.7200 0.0000 . 2 . . . . . 47 VAL CG2 . 50469 1 563 . 1 . 1 47 47 VAL N N 15 113.1790 0.0000 . 1 . . . . . 47 VAL N . 50469 1 564 . 1 . 1 48 48 SER H H 1 9.6000 0.0000 . 1 . . . . . 48 SER H . 50469 1 565 . 1 . 1 48 48 SER HA H 1 5.5820 0.0000 . 1 . . . . . 48 SER HA . 50469 1 566 . 1 . 1 48 48 SER HB2 H 1 3.8810 0.0000 . 2 . . . . . 48 SER HB2 . 50469 1 567 . 1 . 1 48 48 SER HB3 H 1 3.8810 0.0000 . 2 . . . . . 48 SER HB3 . 50469 1 568 . 1 . 1 48 48 SER C C 13 174.8260 0.0000 . 1 . . . . . 48 SER C . 50469 1 569 . 1 . 1 48 48 SER CA C 13 56.9910 0.0000 . 1 . . . . . 48 SER CA . 50469 1 570 . 1 . 1 48 48 SER CB C 13 64.3600 0.0000 . 1 . . . . . 48 SER CB . 50469 1 571 . 1 . 1 48 48 SER N N 15 116.5420 0.0000 . 1 . . . . . 48 SER N . 50469 1 572 . 1 . 1 49 49 ALA H H 1 9.6160 0.0000 . 1 . . . . . 49 ALA H . 50469 1 573 . 1 . 1 49 49 ALA HA H 1 5.6630 0.0000 . 1 . . . . . 49 ALA HA . 50469 1 574 . 1 . 1 49 49 ALA HB1 H 1 1.2300 0.0000 . 1 . . . . . 49 ALA HB1 . 50469 1 575 . 1 . 1 49 49 ALA HB2 H 1 1.2300 0.0000 . 1 . . . . . 49 ALA HB1 . 50469 1 576 . 1 . 1 49 49 ALA HB3 H 1 1.2300 0.0000 . 1 . . . . . 49 ALA HB1 . 50469 1 577 . 1 . 1 49 49 ALA C C 13 175.6070 0.0000 . 1 . . . . . 49 ALA C . 50469 1 578 . 1 . 1 49 49 ALA CA C 13 51.3100 0.0000 . 1 . . . . . 49 ALA CA . 50469 1 579 . 1 . 1 49 49 ALA CB C 13 24.4800 0.0000 . 1 . . . . . 49 ALA CB . 50469 1 580 . 1 . 1 49 49 ALA N N 15 129.7840 0.0000 . 1 . . . . . 49 ALA N . 50469 1 581 . 1 . 1 50 50 SER H H 1 8.5000 0.0000 . 1 . . . . . 50 SER H . 50469 1 582 . 1 . 1 50 50 SER HA H 1 4.2580 0.0000 . 1 . . . . . 50 SER HA . 50469 1 583 . 1 . 1 50 50 SER HB2 H 1 3.0430 0.0000 . 2 . . . . . 50 SER HB2 . 50469 1 584 . 1 . 1 50 50 SER HB3 H 1 2.3720 0.0000 . 2 . . . . . 50 SER HB3 . 50469 1 585 . 1 . 1 50 50 SER C C 13 174.4360 0.0000 . 1 . . . . . 50 SER C . 50469 1 586 . 1 . 1 50 50 SER CA C 13 57.7920 0.0000 . 1 . . . . . 50 SER CA . 50469 1 587 . 1 . 1 50 50 SER CB C 13 68.3140 0.0000 . 1 . . . . . 50 SER CB . 50469 1 588 . 1 . 1 50 50 SER N N 15 114.0440 0.0000 . 1 . . . . . 50 SER N . 50469 1 589 . 1 . 1 51 51 ILE H H 1 8.1520 0.0000 . 1 . . . . . 51 ILE H . 50469 1 590 . 1 . 1 51 51 ILE HA H 1 3.7110 0.0000 . 1 . . . . . 51 ILE HA . 50469 1 591 . 1 . 1 51 51 ILE HB H 1 1.3810 0.0000 . 1 . . . . . 51 ILE HB . 50469 1 592 . 1 . 1 51 51 ILE HG12 H 1 0.7920 0.0000 . 2 . . . . . 51 ILE HG12 . 50469 1 593 . 1 . 1 51 51 ILE HG13 H 1 0.6940 0.0000 . 2 . . . . . 51 ILE HG13 . 50469 1 594 . 1 . 1 51 51 ILE HG21 H 1 0.2030 0.0000 . 1 . . . . . 51 ILE HG21 . 50469 1 595 . 1 . 1 51 51 ILE HG22 H 1 0.2030 0.0000 . 1 . . . . . 51 ILE HG21 . 50469 1 596 . 1 . 1 51 51 ILE HG23 H 1 0.2030 0.0000 . 1 . . . . . 51 ILE HG21 . 50469 1 597 . 1 . 1 51 51 ILE HD11 H 1 0.5650 0.0000 . 1 . . . . . 51 ILE HD11 . 50469 1 598 . 1 . 1 51 51 ILE HD12 H 1 0.5650 0.0000 . 1 . . . . . 51 ILE HD11 . 50469 1 599 . 1 . 1 51 51 ILE HD13 H 1 0.5650 0.0000 . 1 . . . . . 51 ILE HD11 . 50469 1 600 . 1 . 1 51 51 ILE C C 13 175.3460 0.0000 . 1 . . . . . 51 ILE C . 50469 1 601 . 1 . 1 51 51 ILE CA C 13 62.5620 0.0000 . 1 . . . . . 51 ILE CA . 50469 1 602 . 1 . 1 51 51 ILE CB C 13 38.0700 0.0000 . 1 . . . . . 51 ILE CB . 50469 1 603 . 1 . 1 51 51 ILE CG1 C 13 27.3000 0.0000 . 1 . . . . . 51 ILE CG1 . 50469 1 604 . 1 . 1 51 51 ILE CG2 C 13 17.1420 0.0000 . 1 . . . . . 51 ILE CG2 . 50469 1 605 . 1 . 1 51 51 ILE CD1 C 13 14.1320 0.0000 . 1 . . . . . 51 ILE CD1 . 50469 1 606 . 1 . 1 51 51 ILE N N 15 115.3760 0.0000 . 1 . . . . . 51 ILE N . 50469 1 607 . 1 . 1 52 52 PHE H H 1 7.0960 0.0000 . 1 . . . . . 52 PHE H . 50469 1 608 . 1 . 1 52 52 PHE HA H 1 4.2940 0.0000 . 1 . . . . . 52 PHE HA . 50469 1 609 . 1 . 1 52 52 PHE HB2 H 1 3.3170 0.0000 . 2 . . . . . 52 PHE HB2 . 50469 1 610 . 1 . 1 52 52 PHE HB3 H 1 2.3300 0.0000 . 2 . . . . . 52 PHE HB3 . 50469 1 611 . 1 . 1 52 52 PHE HD1 H 1 7.3090 0.0000 . 3 . . . . . 52 PHE HD1 . 50469 1 612 . 1 . 1 52 52 PHE HD2 H 1 7.3090 0.0000 . 3 . . . . . 52 PHE HD2 . 50469 1 613 . 1 . 1 52 52 PHE HE1 H 1 7.4120 0.0000 . 3 . . . . . 52 PHE HE1 . 50469 1 614 . 1 . 1 52 52 PHE HE2 H 1 7.4120 0.0000 . 3 . . . . . 52 PHE HE2 . 50469 1 615 . 1 . 1 52 52 PHE C C 13 174.5870 0.0000 . 1 . . . . . 52 PHE C . 50469 1 616 . 1 . 1 52 52 PHE CA C 13 57.7920 0.0000 . 1 . . . . . 52 PHE CA . 50469 1 617 . 1 . 1 52 52 PHE CB C 13 39.1320 0.0000 . 1 . . . . . 52 PHE CB . 50469 1 618 . 1 . 1 52 52 PHE CD1 C 13 130.1900 0.0000 . 3 . . . . . 52 PHE CD1 . 50469 1 619 . 1 . 1 52 52 PHE CD2 C 13 129.8300 0.0000 . 3 . . . . . 52 PHE CD2 . 50469 1 620 . 1 . 1 52 52 PHE CE1 C 13 130.1600 0.0000 . 3 . . . . . 52 PHE CE1 . 50469 1 621 . 1 . 1 52 52 PHE CE2 C 13 130.1600 0.0000 . 3 . . . . . 52 PHE CE2 . 50469 1 622 . 1 . 1 52 52 PHE N N 15 117.1790 0.0000 . 1 . . . . . 52 PHE N . 50469 1 623 . 1 . 1 53 53 GLY H H 1 7.5900 0.0000 . 1 . . . . . 53 GLY H . 50469 1 624 . 1 . 1 53 53 GLY HA2 H 1 4.5850 0.0000 . 2 . . . . . 53 GLY HA2 . 50469 1 625 . 1 . 1 53 53 GLY HA3 H 1 3.3170 0.0000 . 2 . . . . . 53 GLY HA3 . 50469 1 626 . 1 . 1 53 53 GLY C C 13 174.5700 0.0000 . 1 . . . . . 53 GLY C . 50469 1 627 . 1 . 1 53 53 GLY CA C 13 43.5310 0.0000 . 1 . . . . . 53 GLY CA . 50469 1 628 . 1 . 1 53 53 GLY N N 15 104.4340 0.0000 . 1 . . . . . 53 GLY N . 50469 1 629 . 1 . 1 54 54 PHE H H 1 9.1580 0.0000 . 1 . . . . . 54 PHE H . 50469 1 630 . 1 . 1 54 54 PHE HA H 1 3.6305 0.0000 . 1 . . . . . 54 PHE HA . 50469 1 631 . 1 . 1 54 54 PHE HB2 H 1 2.9780 0.0000 . 2 . . . . . 54 PHE HB2 . 50469 1 632 . 1 . 1 54 54 PHE HB3 H 1 2.9780 0.0000 . 2 . . . . . 54 PHE HB3 . 50469 1 633 . 1 . 1 54 54 PHE HD1 H 1 7.3970 0.0000 . 3 . . . . . 54 PHE HD1 . 50469 1 634 . 1 . 1 54 54 PHE HD2 H 1 7.3970 0.0000 . 3 . . . . . 54 PHE HD2 . 50469 1 635 . 1 . 1 54 54 PHE HE1 H 1 7.0280 0.0000 . 3 . . . . . 54 PHE HE1 . 50469 1 636 . 1 . 1 54 54 PHE HE2 H 1 7.0280 0.0000 . 3 . . . . . 54 PHE HE2 . 50469 1 637 . 1 . 1 54 54 PHE HZ H 1 7.0000 0.0000 . 1 . . . . . 54 PHE HZ . 50469 1 638 . 1 . 1 54 54 PHE C C 13 178.2520 0.0000 . 1 . . . . . 54 PHE C . 50469 1 639 . 1 . 1 54 54 PHE CA C 13 56.2490 0.0000 . 1 . . . . . 54 PHE CA . 50469 1 640 . 1 . 1 54 54 PHE CB C 13 44.1130 0.0000 . 1 . . . . . 54 PHE CB . 50469 1 641 . 1 . 1 54 54 PHE CD1 C 13 132.3000 0.0000 . 3 . . . . . 54 PHE CD1 . 50469 1 642 . 1 . 1 54 54 PHE CD2 C 13 130.3700 0.0000 . 3 . . . . . 54 PHE CD2 . 50469 1 643 . 1 . 1 54 54 PHE CE1 C 13 130.0100 0.0000 . 3 . . . . . 54 PHE CE1 . 50469 1 644 . 1 . 1 54 54 PHE CE2 C 13 130.0100 0.0000 . 3 . . . . . 54 PHE CE2 . 50469 1 645 . 1 . 1 54 54 PHE N N 15 116.1150 0.0000 . 1 . . . . . 54 PHE N . 50469 1 646 . 1 . 1 55 55 GLN H H 1 8.7220 0.0000 . 1 . . . . . 55 GLN H . 50469 1 647 . 1 . 1 55 55 GLN HA H 1 4.5010 0.0000 . 1 . . . . . 55 GLN HA . 50469 1 648 . 1 . 1 55 55 GLN HB2 H 1 2.3030 0.0000 . 2 . . . . . 55 GLN HB2 . 50469 1 649 . 1 . 1 55 55 GLN HB3 H 1 2.1760 0.0000 . 2 . . . . . 55 GLN HB3 . 50469 1 650 . 1 . 1 55 55 GLN HG2 H 1 2.1170 0.0000 . 2 . . . . . 55 GLN HG2 . 50469 1 651 . 1 . 1 55 55 GLN HG3 H 1 1.6744 0.0000 . 2 . . . . . 55 GLN HG3 . 50469 1 652 . 1 . 1 55 55 GLN HE21 H 1 7.4700 0.0000 . 2 . . . . . 55 GLN HE21 . 50469 1 653 . 1 . 1 55 55 GLN HE22 H 1 6.8920 0.0000 . 1 . . . . . 55 GLN HE22 . 50469 1 654 . 1 . 1 55 55 GLN C C 13 176.9510 0.0000 . 1 . . . . . 55 GLN C . 50469 1 655 . 1 . 1 55 55 GLN CA C 13 58.2130 0.0000 . 1 . . . . . 55 GLN CA . 50469 1 656 . 1 . 1 55 55 GLN CB C 13 27.5570 0.0000 . 1 . . . . . 55 GLN CB . 50469 1 657 . 1 . 1 55 55 GLN CG C 13 34.5110 0.0000 . 1 . . . . . 55 GLN CG . 50469 1 658 . 1 . 1 55 55 GLN N N 15 120.3210 0.0000 . 1 . . . . . 55 GLN N . 50469 1 659 . 1 . 1 55 55 GLN NE2 N 15 112.0630 0.0000 . 1 . . . . . 55 GLN NE2 . 50469 1 660 . 1 . 1 56 56 ALA H H 1 8.6920 0.0000 . 1 . . . . . 56 ALA H . 50469 1 661 . 1 . 1 56 56 ALA HA H 1 5.1490 0.0000 . 1 . . . . . 56 ALA HA . 50469 1 662 . 1 . 1 56 56 ALA HB1 H 1 1.2210 0.0000 . 1 . . . . . 56 ALA HB1 . 50469 1 663 . 1 . 1 56 56 ALA HB2 H 1 1.2210 0.0000 . 1 . . . . . 56 ALA HB1 . 50469 1 664 . 1 . 1 56 56 ALA HB3 H 1 1.2210 0.0000 . 1 . . . . . 56 ALA HB1 . 50469 1 665 . 1 . 1 56 56 ALA C C 13 176.6910 0.0000 . 1 . . . . . 56 ALA C . 50469 1 666 . 1 . 1 56 56 ALA CA C 13 51.0150 0.0000 . 1 . . . . . 56 ALA CA . 50469 1 667 . 1 . 1 56 56 ALA CB C 13 23.5020 0.0000 . 1 . . . . . 56 ALA CB . 50469 1 668 . 1 . 1 56 56 ALA N N 15 126.8710 0.0000 . 1 . . . . . 56 ALA N . 50469 1 669 . 1 . 1 57 57 GLU H H 1 8.6340 0.0000 . 1 . . . . . 57 GLU H . 50469 1 670 . 1 . 1 57 57 GLU HA H 1 4.4820 0.0000 . 1 . . . . . 57 GLU HA . 50469 1 671 . 1 . 1 57 57 GLU HB2 H 1 1.7100 0.0000 . 2 . . . . . 57 GLU HB2 . 50469 1 672 . 1 . 1 57 57 GLU HB3 H 1 1.6060 0.0000 . 2 . . . . . 57 GLU HB3 . 50469 1 673 . 1 . 1 57 57 GLU HG2 H 1 1.8870 0.0000 . 2 . . . . . 57 GLU HG2 . 50469 1 674 . 1 . 1 57 57 GLU HG3 H 1 1.8830 0.0000 . 2 . . . . . 57 GLU HG3 . 50469 1 675 . 1 . 1 57 57 GLU C C 13 175.0430 0.0000 . 1 . . . . . 57 GLU C . 50469 1 676 . 1 . 1 57 57 GLU CA C 13 54.8100 0.0000 . 1 . . . . . 57 GLU CA . 50469 1 677 . 1 . 1 57 57 GLU CB C 13 32.1460 0.0000 . 1 . . . . . 57 GLU CB . 50469 1 678 . 1 . 1 57 57 GLU CG C 13 35.5680 0.0000 . 1 . . . . . 57 GLU CG . 50469 1 679 . 1 . 1 57 57 GLU N N 15 120.1320 0.0000 . 1 . . . . . 57 GLU N . 50469 1 680 . 1 . 1 58 58 VAL H H 1 8.6150 0.0000 . 1 . . . . . 58 VAL H . 50469 1 681 . 1 . 1 58 58 VAL HA H 1 4.3220 0.0000 . 1 . . . . . 58 VAL HA . 50469 1 682 . 1 . 1 58 58 VAL HB H 1 1.9820 0.0000 . 1 . . . . . 58 VAL HB . 50469 1 683 . 1 . 1 58 58 VAL HG11 H 1 0.8410 0.0000 . 2 . . . . . 58 VAL HG11 . 50469 1 684 . 1 . 1 58 58 VAL HG12 H 1 0.8410 0.0000 . 2 . . . . . 58 VAL HG11 . 50469 1 685 . 1 . 1 58 58 VAL HG13 H 1 0.8410 0.0000 . 2 . . . . . 58 VAL HG11 . 50469 1 686 . 1 . 1 58 58 VAL HG21 H 1 0.9660 0.0000 . 2 . . . . . 58 VAL HG21 . 50469 1 687 . 1 . 1 58 58 VAL HG22 H 1 0.9660 0.0000 . 2 . . . . . 58 VAL HG21 . 50469 1 688 . 1 . 1 58 58 VAL HG23 H 1 0.9660 0.0000 . 2 . . . . . 58 VAL HG21 . 50469 1 689 . 1 . 1 58 58 VAL C C 13 176.2360 0.0000 . 1 . . . . . 58 VAL C . 50469 1 690 . 1 . 1 58 58 VAL CA C 13 62.3750 0.0000 . 1 . . . . . 58 VAL CA . 50469 1 691 . 1 . 1 58 58 VAL CB C 13 32.1330 0.0000 . 1 . . . . . 58 VAL CB . 50469 1 692 . 1 . 1 58 58 VAL CG1 C 13 20.9300 0.0000 . 2 . . . . . 58 VAL CG1 . 50469 1 693 . 1 . 1 58 58 VAL CG2 C 13 21.5600 0.0000 . 2 . . . . . 58 VAL CG2 . 50469 1 694 . 1 . 1 58 58 VAL N N 15 124.4360 0.0000 . 1 . . . . . 58 VAL N . 50469 1 695 . 1 . 1 59 59 GLY H H 1 8.4480 0.0000 . 1 . . . . . 59 GLY H . 50469 1 696 . 1 . 1 59 59 GLY HA2 H 1 4.4940 0.0000 . 2 . . . . . 59 GLY HA2 . 50469 1 697 . 1 . 1 59 59 GLY HA3 H 1 3.6940 0.0000 . 2 . . . . . 59 GLY HA3 . 50469 1 698 . 1 . 1 59 59 GLY C C 13 171.7510 0.0000 . 1 . . . . . 59 GLY C . 50469 1 699 . 1 . 1 59 59 GLY CA C 13 43.9520 0.0000 . 1 . . . . . 59 GLY CA . 50469 1 700 . 1 . 1 59 59 GLY N N 15 116.2700 0.0000 . 1 . . . . . 59 GLY N . 50469 1 701 . 1 . 1 60 60 PRO HA H 1 4.3490 0.0000 . 1 . . . . . 60 PRO HA . 50469 1 702 . 1 . 1 60 60 PRO HB2 H 1 2.2790 0.0000 . 2 . . . . . 60 PRO HB2 . 50469 1 703 . 1 . 1 60 60 PRO HB3 H 1 1.8290 0.0000 . 2 . . . . . 60 PRO HB3 . 50469 1 704 . 1 . 1 60 60 PRO HG2 H 1 1.9800 0.0000 . 2 . . . . . 60 PRO HG2 . 50469 1 705 . 1 . 1 60 60 PRO HG3 H 1 1.9800 0.0000 . 2 . . . . . 60 PRO HG3 . 50469 1 706 . 1 . 1 60 60 PRO HD2 H 1 3.5830 0.0000 . 2 . . . . . 60 PRO HD2 . 50469 1 707 . 1 . 1 60 60 PRO HD3 H 1 3.4960 0.0000 . 2 . . . . . 60 PRO HD3 . 50469 1 708 . 1 . 1 60 60 PRO C C 13 177.5020 0.0000 . 1 . . . . . 60 PRO C . 50469 1 709 . 1 . 1 60 60 PRO CA C 13 63.3200 0.0000 . 1 . . . . . 60 PRO CA . 50469 1 710 . 1 . 1 60 60 PRO CB C 13 31.8500 0.0000 . 1 . . . . . 60 PRO CB . 50469 1 711 . 1 . 1 60 60 PRO CG C 13 26.9900 0.0000 . 1 . . . . . 60 PRO CG . 50469 1 712 . 1 . 1 60 60 PRO CD C 13 49.7100 0.0000 . 1 . . . . . 60 PRO CD . 50469 1 713 . 1 . 1 61 61 ASN H H 1 9.0480 0.0000 . 1 . . . . . 61 ASN H . 50469 1 714 . 1 . 1 61 61 ASN HA H 1 4.4210 0.0000 . 1 . . . . . 61 ASN HA . 50469 1 715 . 1 . 1 61 61 ASN HB2 H 1 2.9440 0.0000 . 2 . . . . . 61 ASN HB2 . 50469 1 716 . 1 . 1 61 61 ASN HB3 H 1 2.8220 0.0000 . 2 . . . . . 61 ASN HB3 . 50469 1 717 . 1 . 1 61 61 ASN HD21 H 1 7.6790 0.0000 . 2 . . . . . 61 ASN HD21 . 50469 1 718 . 1 . 1 61 61 ASN HD22 H 1 6.8260 0.0000 . 2 . . . . . 61 ASN HD22 . 50469 1 719 . 1 . 1 61 61 ASN C C 13 174.6500 0.0000 . 1 . . . . . 61 ASN C . 50469 1 720 . 1 . 1 61 61 ASN CA C 13 53.8580 0.0000 . 1 . . . . . 61 ASN CA . 50469 1 721 . 1 . 1 61 61 ASN CB C 13 37.2460 0.0000 . 1 . . . . . 61 ASN CB . 50469 1 722 . 1 . 1 61 61 ASN N N 15 117.6590 0.0000 . 1 . . . . . 61 ASN N . 50469 1 723 . 1 . 1 61 61 ASN ND2 N 15 113.5150 0.0000 . 1 . . . . . 61 ASN ND2 . 50469 1 724 . 1 . 1 62 62 ASN H H 1 8.5080 0.0000 . 1 . . . . . 62 ASN H . 50469 1 725 . 1 . 1 62 62 ASN HA H 1 4.3300 0.0000 . 1 . . . . . 62 ASN HA . 50469 1 726 . 1 . 1 62 62 ASN HB2 H 1 3.1310 0.0000 . 2 . . . . . 62 ASN HB2 . 50469 1 727 . 1 . 1 62 62 ASN HB3 H 1 2.7180 0.0000 . 2 . . . . . 62 ASN HB3 . 50469 1 728 . 1 . 1 62 62 ASN HD21 H 1 7.7210 0.0000 . 2 . . . . . 62 ASN HD21 . 50469 1 729 . 1 . 1 62 62 ASN HD22 H 1 6.9470 0.0000 . 2 . . . . . 62 ASN HD22 . 50469 1 730 . 1 . 1 62 62 ASN C C 13 174.8620 0.0000 . 1 . . . . . 62 ASN C . 50469 1 731 . 1 . 1 62 62 ASN CA C 13 54.2570 0.0000 . 1 . . . . . 62 ASN CA . 50469 1 732 . 1 . 1 62 62 ASN CB C 13 37.5170 0.0000 . 1 . . . . . 62 ASN CB . 50469 1 733 . 1 . 1 62 62 ASN N N 15 112.9680 0.0000 . 1 . . . . . 62 ASN N . 50469 1 734 . 1 . 1 62 62 ASN ND2 N 15 113.5320 0.0000 . 1 . . . . . 62 ASN ND2 . 50469 1 735 . 1 . 1 63 63 THR H H 1 7.1020 0.0000 . 1 . . . . . 63 THR H . 50469 1 736 . 1 . 1 63 63 THR HA H 1 4.3710 0.0000 . 1 . . . . . 63 THR HA . 50469 1 737 . 1 . 1 63 63 THR HB H 1 4.1050 0.0000 . 1 . . . . . 63 THR HB . 50469 1 738 . 1 . 1 63 63 THR HG21 H 1 1.2410 0.0000 . 1 . . . . . 63 THR HG21 . 50469 1 739 . 1 . 1 63 63 THR HG22 H 1 1.2410 0.0000 . 1 . . . . . 63 THR HG21 . 50469 1 740 . 1 . 1 63 63 THR HG23 H 1 1.2410 0.0000 . 1 . . . . . 63 THR HG21 . 50469 1 741 . 1 . 1 63 63 THR C C 13 174.7270 0.0000 . 1 . . . . . 63 THR C . 50469 1 742 . 1 . 1 63 63 THR CA C 13 61.5560 0.0000 . 1 . . . . . 63 THR CA . 50469 1 743 . 1 . 1 63 63 THR CB C 13 70.7210 0.0000 . 1 . . . . . 63 THR CB . 50469 1 744 . 1 . 1 63 63 THR CG2 C 13 21.4810 0.0000 . 1 . . . . . 63 THR CG2 . 50469 1 745 . 1 . 1 63 63 THR N N 15 110.8960 0.0000 . 1 . . . . . 63 THR N . 50469 1 746 . 1 . 1 64 64 ARG H H 1 8.5970 0.0000 . 1 . . . . . 64 ARG H . 50469 1 747 . 1 . 1 64 64 ARG HA H 1 5.0300 0.0000 . 1 . . . . . 64 ARG HA . 50469 1 748 . 1 . 1 64 64 ARG HB2 H 1 1.7400 0.0000 . 2 . . . . . 64 ARG HB2 . 50469 1 749 . 1 . 1 64 64 ARG HB3 H 1 1.5500 0.0000 . 2 . . . . . 64 ARG HB3 . 50469 1 750 . 1 . 1 64 64 ARG HG2 H 1 1.6600 0.0000 . 2 . . . . . 64 ARG HG2 . 50469 1 751 . 1 . 1 64 64 ARG HG3 H 1 1.5100 0.0000 . 2 . . . . . 64 ARG HG3 . 50469 1 752 . 1 . 1 64 64 ARG HD2 H 1 3.1600 0.0000 . 2 . . . . . 64 ARG HD2 . 50469 1 753 . 1 . 1 64 64 ARG HD3 H 1 3.1400 0.0000 . 2 . . . . . 64 ARG HD3 . 50469 1 754 . 1 . 1 64 64 ARG C C 13 174.3060 0.0000 . 1 . . . . . 64 ARG C . 50469 1 755 . 1 . 1 64 64 ARG CA C 13 55.1020 0.0000 . 1 . . . . . 64 ARG CA . 50469 1 756 . 1 . 1 64 64 ARG CB C 13 33.0650 0.0000 . 1 . . . . . 64 ARG CB . 50469 1 757 . 1 . 1 64 64 ARG CG C 13 27.7000 0.0000 . 1 . . . . . 64 ARG CG . 50469 1 758 . 1 . 1 64 64 ARG CD C 13 43.6300 0.0000 . 1 . . . . . 64 ARG CD . 50469 1 759 . 1 . 1 64 64 ARG N N 15 122.7450 0.0000 . 1 . . . . . 64 ARG N . 50469 1 760 . 1 . 1 65 65 SER H H 1 8.1400 0.0000 . 1 . . . . . 65 SER H . 50469 1 761 . 1 . 1 65 65 SER HA H 1 4.0380 0.0000 . 1 . . . . . 65 SER HA . 50469 1 762 . 1 . 1 65 65 SER HB2 H 1 3.5700 0.0000 . 2 . . . . . 65 SER HB2 . 50469 1 763 . 1 . 1 65 65 SER HB3 H 1 3.5700 0.0000 . 2 . . . . . 65 SER HB3 . 50469 1 764 . 1 . 1 65 65 SER C C 13 173.1130 0.0000 . 1 . . . . . 65 SER C . 50469 1 765 . 1 . 1 65 65 SER CA C 13 56.2400 0.0000 . 1 . . . . . 65 SER CA . 50469 1 766 . 1 . 1 65 65 SER CB C 13 65.3080 0.0000 . 1 . . . . . 65 SER CB . 50469 1 767 . 1 . 1 65 65 SER N N 15 114.4880 0.0000 . 1 . . . . . 65 SER N . 50469 1 768 . 1 . 1 66 66 ILE H H 1 8.2770 0.0000 . 1 . . . . . 66 ILE H . 50469 1 769 . 1 . 1 66 66 ILE HA H 1 3.4110 0.0000 . 1 . . . . . 66 ILE HA . 50469 1 770 . 1 . 1 66 66 ILE HB H 1 1.3150 0.0000 . 1 . . . . . 66 ILE HB . 50469 1 771 . 1 . 1 66 66 ILE HG12 H 1 1.5140 0.0000 . 2 . . . . . 66 ILE HG12 . 50469 1 772 . 1 . 1 66 66 ILE HG13 H 1 0.4170 0.0000 . 2 . . . . . 66 ILE HG13 . 50469 1 773 . 1 . 1 66 66 ILE HG21 H 1 0.5630 0.0000 . 1 . . . . . 66 ILE HG21 . 50469 1 774 . 1 . 1 66 66 ILE HG22 H 1 0.5630 0.0000 . 1 . . . . . 66 ILE HG21 . 50469 1 775 . 1 . 1 66 66 ILE HG23 H 1 0.5630 0.0000 . 1 . . . . . 66 ILE HG21 . 50469 1 776 . 1 . 1 66 66 ILE HD11 H 1 0.1830 0.0000 . 1 . . . . . 66 ILE HD11 . 50469 1 777 . 1 . 1 66 66 ILE HD12 H 1 0.1830 0.0000 . 1 . . . . . 66 ILE HD11 . 50469 1 778 . 1 . 1 66 66 ILE HD13 H 1 0.1830 0.0000 . 1 . . . . . 66 ILE HD11 . 50469 1 779 . 1 . 1 66 66 ILE C C 13 175.4770 0.0000 . 1 . . . . . 66 ILE C . 50469 1 780 . 1 . 1 66 66 ILE CA C 13 63.8600 0.0000 . 1 . . . . . 66 ILE CA . 50469 1 781 . 1 . 1 66 66 ILE CB C 13 39.1200 0.0000 . 1 . . . . . 66 ILE CB . 50469 1 782 . 1 . 1 66 66 ILE CG1 C 13 29.3460 0.0000 . 1 . . . . . 66 ILE CG1 . 50469 1 783 . 1 . 1 66 66 ILE CG2 C 13 17.4900 0.0000 . 1 . . . . . 66 ILE CG2 . 50469 1 784 . 1 . 1 66 66 ILE CD1 C 13 12.8800 0.0000 . 1 . . . . . 66 ILE CD1 . 50469 1 785 . 1 . 1 66 66 ILE N N 15 121.9590 0.0000 . 1 . . . . . 66 ILE N . 50469 1 786 . 1 . 1 67 67 ARG H H 1 8.4740 0.0000 . 1 . . . . . 67 ARG H . 50469 1 787 . 1 . 1 67 67 ARG HA H 1 3.9180 0.0000 . 1 . . . . . 67 ARG HA . 50469 1 788 . 1 . 1 67 67 ARG HB2 H 1 1.2820 0.0000 . 2 . . . . . 67 ARG HB2 . 50469 1 789 . 1 . 1 67 67 ARG HB3 H 1 1.0520 0.0000 . 2 . . . . . 67 ARG HB3 . 50469 1 790 . 1 . 1 67 67 ARG HG2 H 1 0.9180 0.0000 . 2 . . . . . 67 ARG HG2 . 50469 1 791 . 1 . 1 67 67 ARG HG3 H 1 0.3120 0.0000 . 2 . . . . . 67 ARG HG3 . 50469 1 792 . 1 . 1 67 67 ARG HD2 H 1 2.3950 0.0000 . 2 . . . . . 67 ARG HD2 . 50469 1 793 . 1 . 1 67 67 ARG HD3 H 1 2.3950 0.0000 . 2 . . . . . 67 ARG HD3 . 50469 1 794 . 1 . 1 67 67 ARG HH12 H 1 6.8360 0.0000 . 9 . . . . . 67 ARG HH12 . 50469 1 795 . 1 . 1 67 67 ARG C C 13 173.6550 0.0000 . 1 . . . . . 67 ARG C . 50469 1 796 . 1 . 1 67 67 ARG CA C 13 56.5030 0.0000 . 1 . . . . . 67 ARG CA . 50469 1 797 . 1 . 1 67 67 ARG CB C 13 29.9310 0.0000 . 1 . . . . . 67 ARG CB . 50469 1 798 . 1 . 1 67 67 ARG CG C 13 26.5290 0.0000 . 1 . . . . . 67 ARG CG . 50469 1 799 . 1 . 1 67 67 ARG CD C 13 43.7850 0.0000 . 1 . . . . . 67 ARG CD . 50469 1 800 . 1 . 1 67 67 ARG N N 15 128.4960 0.0000 . 1 . . . . . 67 ARG N . 50469 1 801 . 1 . 1 68 68 LYS H H 1 8.2830 0.0000 . 1 . . . . . 68 LYS H . 50469 1 802 . 1 . 1 68 68 LYS HA H 1 4.7070 0.0000 . 1 . . . . . 68 LYS HA . 50469 1 803 . 1 . 1 68 68 LYS HB2 H 1 1.7100 0.0000 . 2 . . . . . 68 LYS HB2 . 50469 1 804 . 1 . 1 68 68 LYS HB3 H 1 1.4560 0.0000 . 2 . . . . . 68 LYS HB3 . 50469 1 805 . 1 . 1 68 68 LYS HG2 H 1 1.2310 0.0000 . 2 . . . . . 68 LYS HG2 . 50469 1 806 . 1 . 1 68 68 LYS HG3 H 1 1.0870 0.0000 . 2 . . . . . 68 LYS HG3 . 50469 1 807 . 1 . 1 68 68 LYS HD2 H 1 1.5540 0.0000 . 2 . . . . . 68 LYS HD2 . 50469 1 808 . 1 . 1 68 68 LYS HD3 H 1 1.4810 0.0000 . 2 . . . . . 68 LYS HD3 . 50469 1 809 . 1 . 1 68 68 LYS HE2 H 1 2.7410 0.0000 . 2 . . . . . 68 LYS HE2 . 50469 1 810 . 1 . 1 68 68 LYS HE3 H 1 2.6520 0.0000 . 2 . . . . . 68 LYS HE3 . 50469 1 811 . 1 . 1 68 68 LYS C C 13 175.8450 0.0000 . 1 . . . . . 68 LYS C . 50469 1 812 . 1 . 1 68 68 LYS CA C 13 54.9400 0.0000 . 1 . . . . . 68 LYS CA . 50469 1 813 . 1 . 1 68 68 LYS CB C 13 33.2800 0.0000 . 1 . . . . . 68 LYS CB . 50469 1 814 . 1 . 1 68 68 LYS CG C 13 24.5330 0.0000 . 1 . . . . . 68 LYS CG . 50469 1 815 . 1 . 1 68 68 LYS CD C 13 28.9940 0.0000 . 1 . . . . . 68 LYS CD . 50469 1 816 . 1 . 1 68 68 LYS CE C 13 42.0240 0.0000 . 1 . . . . . 68 LYS CE . 50469 1 817 . 1 . 1 68 68 LYS N N 15 127.0460 0.0000 . 1 . . . . . 68 LYS N . 50469 1 818 . 1 . 1 69 69 PHE H H 1 9.4090 0.0000 . 1 . . . . . 69 PHE H . 50469 1 819 . 1 . 1 69 69 PHE HA H 1 4.7950 0.0000 . 1 . . . . . 69 PHE HA . 50469 1 820 . 1 . 1 69 69 PHE HB2 H 1 3.2210 0.0000 . 2 . . . . . 69 PHE HB2 . 50469 1 821 . 1 . 1 69 69 PHE HB3 H 1 2.7380 0.0000 . 2 . . . . . 69 PHE HB3 . 50469 1 822 . 1 . 1 69 69 PHE HD1 H 1 7.1220 0.0000 . 3 . . . . . 69 PHE HD1 . 50469 1 823 . 1 . 1 69 69 PHE HD2 H 1 7.1220 0.0000 . 3 . . . . . 69 PHE HD2 . 50469 1 824 . 1 . 1 69 69 PHE C C 13 176.3010 0.0000 . 1 . . . . . 69 PHE C . 50469 1 825 . 1 . 1 69 69 PHE CA C 13 56.3580 0.0000 . 1 . . . . . 69 PHE CA . 50469 1 826 . 1 . 1 69 69 PHE CB C 13 41.5650 0.0000 . 1 . . . . . 69 PHE CB . 50469 1 827 . 1 . 1 69 69 PHE CD1 C 13 133.9300 0.0000 . 3 . . . . . 69 PHE CD1 . 50469 1 828 . 1 . 1 69 69 PHE CD2 C 13 132.0100 0.0000 . 3 . . . . . 69 PHE CD2 . 50469 1 829 . 1 . 1 69 69 PHE N N 15 121.5870 0.0000 . 1 . . . . . 69 PHE N . 50469 1 830 . 1 . 1 70 70 ASN H H 1 9.0420 0.0000 . 1 . . . . . 70 ASN H . 50469 1 831 . 1 . 1 70 70 ASN HA H 1 4.8110 0.0000 . 1 . . . . . 70 ASN HA . 50469 1 832 . 1 . 1 70 70 ASN HB2 H 1 3.0540 0.0000 . 2 . . . . . 70 ASN HB2 . 50469 1 833 . 1 . 1 70 70 ASN HB3 H 1 2.9880 0.0000 . 2 . . . . . 70 ASN HB3 . 50469 1 834 . 1 . 1 70 70 ASN HD21 H 1 7.6120 0.0000 . 2 . . . . . 70 ASN HD21 . 50469 1 835 . 1 . 1 70 70 ASN HD22 H 1 6.9040 0.0000 . 2 . . . . . 70 ASN HD22 . 50469 1 836 . 1 . 1 70 70 ASN C C 13 175.9970 0.0000 . 1 . . . . . 70 ASN C . 50469 1 837 . 1 . 1 70 70 ASN CA C 13 55.6020 0.0000 . 1 . . . . . 70 ASN CA . 50469 1 838 . 1 . 1 70 70 ASN CB C 13 39.5580 0.0000 . 1 . . . . . 70 ASN CB . 50469 1 839 . 1 . 1 70 70 ASN N N 15 119.1830 0.0000 . 1 . . . . . 70 ASN N . 50469 1 840 . 1 . 1 70 70 ASN ND2 N 15 112.8010 0.0000 . 1 . . . . . 70 ASN ND2 . 50469 1 841 . 1 . 1 71 71 THR H H 1 7.3960 0.0000 . 1 . . . . . 71 THR H . 50469 1 842 . 1 . 1 71 71 THR HA H 1 4.5480 0.0000 . 1 . . . . . 71 THR HA . 50469 1 843 . 1 . 1 71 71 THR HB H 1 4.3880 0.0000 . 1 . . . . . 71 THR HB . 50469 1 844 . 1 . 1 71 71 THR HG21 H 1 1.1860 0.0000 . 1 . . . . . 71 THR HG21 . 50469 1 845 . 1 . 1 71 71 THR HG22 H 1 1.1860 0.0000 . 1 . . . . . 71 THR HG21 . 50469 1 846 . 1 . 1 71 71 THR HG23 H 1 1.1860 0.0000 . 1 . . . . . 71 THR HG21 . 50469 1 847 . 1 . 1 71 71 THR C C 13 173.4810 0.0000 . 1 . . . . . 71 THR C . 50469 1 848 . 1 . 1 71 71 THR CA C 13 58.8400 0.0000 . 1 . . . . . 71 THR CA . 50469 1 849 . 1 . 1 71 71 THR CB C 13 72.8430 0.0000 . 1 . . . . . 71 THR CB . 50469 1 850 . 1 . 1 71 71 THR CG2 C 13 21.3640 0.0000 . 1 . . . . . 71 THR CG2 . 50469 1 851 . 1 . 1 71 71 THR N N 15 105.3600 0.0000 . 1 . . . . . 71 THR N . 50469 1 852 . 1 . 1 72 72 MET H H 1 7.9580 0.0000 . 1 . . . . . 72 MET H . 50469 1 853 . 1 . 1 72 72 MET HA H 1 3.3450 0.0000 . 1 . . . . . 72 MET HA . 50469 1 854 . 1 . 1 72 72 MET HB2 H 1 1.6630 0.0000 . 2 . . . . . 72 MET HB2 . 50469 1 855 . 1 . 1 72 72 MET HB3 H 1 1.4070 0.0000 . 2 . . . . . 72 MET HB3 . 50469 1 856 . 1 . 1 72 72 MET HG2 H 1 2.4270 0.0000 . 2 . . . . . 72 MET HG2 . 50469 1 857 . 1 . 1 72 72 MET HG3 H 1 2.2510 0.0000 . 2 . . . . . 72 MET HG3 . 50469 1 858 . 1 . 1 72 72 MET HE1 H 1 2.1640 0.0000 . 1 . . . . . 72 MET HE1 . 50469 1 859 . 1 . 1 72 72 MET HE2 H 1 2.1640 0.0000 . 1 . . . . . 72 MET HE1 . 50469 1 860 . 1 . 1 72 72 MET HE3 H 1 2.1640 0.0000 . 1 . . . . . 72 MET HE1 . 50469 1 861 . 1 . 1 72 72 MET C C 13 178.0350 0.0000 . 1 . . . . . 72 MET C . 50469 1 862 . 1 . 1 72 72 MET CA C 13 57.5000 0.0000 . 1 . . . . . 72 MET CA . 50469 1 863 . 1 . 1 72 72 MET CB C 13 30.9220 0.0000 . 1 . . . . . 72 MET CB . 50469 1 864 . 1 . 1 72 72 MET CG C 13 32.1680 0.0000 . 1 . . . . . 72 MET CG . 50469 1 865 . 1 . 1 72 72 MET CE C 13 17.5360 0.0000 . 1 . . . . . 72 MET CE . 50469 1 866 . 1 . 1 72 72 MET N N 15 121.8750 0.0000 . 1 . . . . . 72 MET N . 50469 1 867 . 1 . 1 73 73 GLN H H 1 8.3780 0.0000 . 1 . . . . . 73 GLN H . 50469 1 868 . 1 . 1 73 73 GLN HA H 1 3.6170 0.0000 . 1 . . . . . 73 GLN HA . 50469 1 869 . 1 . 1 73 73 GLN HB2 H 1 2.0760 0.0000 . 2 . . . . . 73 GLN HB2 . 50469 1 870 . 1 . 1 73 73 GLN HB3 H 1 1.7760 0.0000 . 2 . . . . . 73 GLN HB3 . 50469 1 871 . 1 . 1 73 73 GLN HG2 H 1 2.3280 0.0000 . 2 . . . . . 73 GLN HG2 . 50469 1 872 . 1 . 1 73 73 GLN HG3 H 1 2.3260 0.0000 . 2 . . . . . 73 GLN HG3 . 50469 1 873 . 1 . 1 73 73 GLN HE21 H 1 7.4620 0.0000 . 2 . . . . . 73 GLN HE21 . 50469 1 874 . 1 . 1 73 73 GLN HE22 H 1 6.8350 0.0000 . 2 . . . . . 73 GLN HE22 . 50469 1 875 . 1 . 1 73 73 GLN C C 13 177.1680 0.0000 . 1 . . . . . 73 GLN C . 50469 1 876 . 1 . 1 73 73 GLN CA C 13 58.4760 0.0000 . 1 . . . . . 73 GLN CA . 50469 1 877 . 1 . 1 73 73 GLN CB C 13 27.9470 0.0000 . 1 . . . . . 73 GLN CB . 50469 1 878 . 1 . 1 73 73 GLN CG C 13 33.4550 0.0000 . 1 . . . . . 73 GLN CG . 50469 1 879 . 1 . 1 73 73 GLN N N 15 118.0780 0.0000 . 1 . . . . . 73 GLN N . 50469 1 880 . 1 . 1 73 73 GLN NE2 N 15 111.7820 0.0000 . 1 . . . . . 73 GLN NE2 . 50469 1 881 . 1 . 1 74 74 GLN H H 1 7.7610 0.0000 . 1 . . . . . 74 GLN H . 50469 1 882 . 1 . 1 74 74 GLN HA H 1 4.0310 0.0000 . 1 . . . . . 74 GLN HA . 50469 1 883 . 1 . 1 74 74 GLN HB2 H 1 2.2080 0.0000 . 2 . . . . . 74 GLN HB2 . 50469 1 884 . 1 . 1 74 74 GLN HB3 H 1 2.2080 0.0000 . 2 . . . . . 74 GLN HB3 . 50469 1 885 . 1 . 1 74 74 GLN HG2 H 1 2.5370 0.0000 . 2 . . . . . 74 GLN HG2 . 50469 1 886 . 1 . 1 74 74 GLN HG3 H 1 2.5080 0.0000 . 2 . . . . . 74 GLN HG3 . 50469 1 887 . 1 . 1 74 74 GLN HE21 H 1 7.5670 0.0000 . 2 . . . . . 74 GLN HE21 . 50469 1 888 . 1 . 1 74 74 GLN HE22 H 1 7.0960 0.0000 . 2 . . . . . 74 GLN HE22 . 50469 1 889 . 1 . 1 74 74 GLN C C 13 178.1000 0.0000 . 1 . . . . . 74 GLN C . 50469 1 890 . 1 . 1 74 74 GLN CA C 13 58.9490 0.0000 . 1 . . . . . 74 GLN CA . 50469 1 891 . 1 . 1 74 74 GLN CB C 13 29.1180 0.0000 . 1 . . . . . 74 GLN CB . 50469 1 892 . 1 . 1 74 74 GLN CG C 13 34.6280 0.0000 . 1 . . . . . 74 GLN CG . 50469 1 893 . 1 . 1 74 74 GLN N N 15 117.1580 0.0000 . 1 . . . . . 74 GLN N . 50469 1 894 . 1 . 1 74 74 GLN NE2 N 15 111.5790 0.0000 . 1 . . . . . 74 GLN NE2 . 50469 1 895 . 1 . 1 75 75 CYS H H 1 7.0300 0.0000 . 1 . . . . . 75 CYS H . 50469 1 896 . 1 . 1 75 75 CYS HA H 1 2.1830 0.0000 . 1 . . . . . 75 CYS HA . 50469 1 897 . 1 . 1 75 75 CYS HB2 H 1 3.3050 0.0000 . 2 . . . . . 75 CYS HB2 . 50469 1 898 . 1 . 1 75 75 CYS HB3 H 1 2.4620 0.0000 . 2 . . . . . 75 CYS HB3 . 50469 1 899 . 1 . 1 75 75 CYS C C 13 176.6480 0.0000 . 1 . . . . . 75 CYS C . 50469 1 900 . 1 . 1 75 75 CYS CA C 13 59.8440 0.0000 . 1 . . . . . 75 CYS CA . 50469 1 901 . 1 . 1 75 75 CYS CB C 13 40.8150 0.0000 . 1 . . . . . 75 CYS CB . 50469 1 902 . 1 . 1 75 75 CYS N N 15 118.1760 0.0000 . 1 . . . . . 75 CYS N . 50469 1 903 . 1 . 1 76 76 ILE H H 1 8.5650 0.0000 . 1 . . . . . 76 ILE H . 50469 1 904 . 1 . 1 76 76 ILE HA H 1 3.4760 0.0000 . 1 . . . . . 76 ILE HA . 50469 1 905 . 1 . 1 76 76 ILE HB H 1 1.8320 0.0000 . 1 . . . . . 76 ILE HB . 50469 1 906 . 1 . 1 76 76 ILE HG12 H 1 1.6420 0.0000 . 2 . . . . . 76 ILE HG12 . 50469 1 907 . 1 . 1 76 76 ILE HG13 H 1 1.1090 0.0000 . 2 . . . . . 76 ILE HG13 . 50469 1 908 . 1 . 1 76 76 ILE HG21 H 1 0.9080 0.0000 . 1 . . . . . 76 ILE HG21 . 50469 1 909 . 1 . 1 76 76 ILE HG22 H 1 0.9080 0.0000 . 1 . . . . . 76 ILE HG21 . 50469 1 910 . 1 . 1 76 76 ILE HG23 H 1 0.9080 0.0000 . 1 . . . . . 76 ILE HG21 . 50469 1 911 . 1 . 1 76 76 ILE HD11 H 1 0.7910 0.0000 . 1 . . . . . 76 ILE HD11 . 50469 1 912 . 1 . 1 76 76 ILE HD12 H 1 0.7910 0.0000 . 1 . . . . . 76 ILE HD11 . 50469 1 913 . 1 . 1 76 76 ILE HD13 H 1 0.7910 0.0000 . 1 . . . . . 76 ILE HD11 . 50469 1 914 . 1 . 1 76 76 ILE C C 13 178.5120 0.0000 . 1 . . . . . 76 ILE C . 50469 1 915 . 1 . 1 76 76 ILE CA C 13 65.0170 0.0000 . 1 . . . . . 76 ILE CA . 50469 1 916 . 1 . 1 76 76 ILE CB C 13 37.7290 0.0000 . 1 . . . . . 76 ILE CB . 50469 1 917 . 1 . 1 76 76 ILE CG1 C 13 28.4070 0.0000 . 1 . . . . . 76 ILE CG1 . 50469 1 918 . 1 . 1 76 76 ILE CG2 C 13 16.9030 0.0000 . 1 . . . . . 76 ILE CG2 . 50469 1 919 . 1 . 1 76 76 ILE CD1 C 13 13.1290 0.0000 . 1 . . . . . 76 ILE CD1 . 50469 1 920 . 1 . 1 76 76 ILE N N 15 125.7450 0.0000 . 1 . . . . . 76 ILE N . 50469 1 921 . 1 . 1 77 77 ASP H H 1 8.6520 0.0000 . 1 . . . . . 77 ASP H . 50469 1 922 . 1 . 1 77 77 ASP HA H 1 4.3050 0.0000 . 1 . . . . . 77 ASP HA . 50469 1 923 . 1 . 1 77 77 ASP HB2 H 1 2.6680 0.0000 . 2 . . . . . 77 ASP HB2 . 50469 1 924 . 1 . 1 77 77 ASP HB3 H 1 2.5270 0.0000 . 2 . . . . . 77 ASP HB3 . 50469 1 925 . 1 . 1 77 77 ASP C C 13 178.5340 0.0000 . 1 . . . . . 77 ASP C . 50469 1 926 . 1 . 1 77 77 ASP CA C 13 57.2310 0.0000 . 1 . . . . . 77 ASP CA . 50469 1 927 . 1 . 1 77 77 ASP CB C 13 40.0440 0.0000 . 1 . . . . . 77 ASP CB . 50469 1 928 . 1 . 1 77 77 ASP N N 15 120.2920 0.0000 . 1 . . . . . 77 ASP N . 50469 1 929 . 1 . 1 78 78 PHE H H 1 7.5460 0.0000 . 1 . . . . . 78 PHE H . 50469 1 930 . 1 . 1 78 78 PHE HA H 1 4.2470 0.0000 . 1 . . . . . 78 PHE HA . 50469 1 931 . 1 . 1 78 78 PHE HB2 H 1 3.0440 0.0000 . 2 . . . . . 78 PHE HB2 . 50469 1 932 . 1 . 1 78 78 PHE HB3 H 1 3.0440 0.0000 . 2 . . . . . 78 PHE HB3 . 50469 1 933 . 1 . 1 78 78 PHE HD1 H 1 7.2960 0.0000 . 3 . . . . . 78 PHE HD1 . 50469 1 934 . 1 . 1 78 78 PHE HD2 H 1 7.2960 0.0000 . 3 . . . . . 78 PHE HD2 . 50469 1 935 . 1 . 1 78 78 PHE HE1 H 1 7.3810 0.0000 . 3 . . . . . 78 PHE HE1 . 50469 1 936 . 1 . 1 78 78 PHE HE2 H 1 7.3810 0.0000 . 3 . . . . . 78 PHE HE2 . 50469 1 937 . 1 . 1 78 78 PHE C C 13 177.2550 0.0000 . 1 . . . . . 78 PHE C . 50469 1 938 . 1 . 1 78 78 PHE CA C 13 60.6680 0.0000 . 1 . . . . . 78 PHE CA . 50469 1 939 . 1 . 1 78 78 PHE CB C 13 40.1810 0.0000 . 1 . . . . . 78 PHE CB . 50469 1 940 . 1 . 1 78 78 PHE CD1 C 13 132.0700 0.0000 . 3 . . . . . 78 PHE CD1 . 50469 1 941 . 1 . 1 78 78 PHE CD2 C 13 129.9100 0.0000 . 3 . . . . . 78 PHE CD2 . 50469 1 942 . 1 . 1 78 78 PHE CE1 C 13 130.4100 0.0000 . 3 . . . . . 78 PHE CE1 . 50469 1 943 . 1 . 1 78 78 PHE CE2 C 13 130.4100 0.0000 . 3 . . . . . 78 PHE CE2 . 50469 1 944 . 1 . 1 78 78 PHE N N 15 118.2980 0.0000 . 1 . . . . . 78 PHE N . 50469 1 945 . 1 . 1 79 79 THR H H 1 7.9400 0.0000 . 1 . . . . . 79 THR H . 50469 1 946 . 1 . 1 79 79 THR HA H 1 3.7210 0.0000 . 1 . . . . . 79 THR HA . 50469 1 947 . 1 . 1 79 79 THR HB H 1 3.8990 0.0000 . 1 . . . . . 79 THR HB . 50469 1 948 . 1 . 1 79 79 THR HG21 H 1 0.7680 0.0000 . 1 . . . . . 79 THR HG21 . 50469 1 949 . 1 . 1 79 79 THR HG22 H 1 0.7680 0.0000 . 1 . . . . . 79 THR HG21 . 50469 1 950 . 1 . 1 79 79 THR HG23 H 1 0.7680 0.0000 . 1 . . . . . 79 THR HG21 . 50469 1 951 . 1 . 1 79 79 THR C C 13 174.3710 0.0000 . 1 . . . . . 79 THR C . 50469 1 952 . 1 . 1 79 79 THR CA C 13 65.2980 0.0000 . 1 . . . . . 79 THR CA . 50469 1 953 . 1 . 1 79 79 THR CB C 13 69.5730 0.0000 . 1 . . . . . 79 THR CB . 50469 1 954 . 1 . 1 79 79 THR CG2 C 13 21.4810 0.0000 . 1 . . . . . 79 THR CG2 . 50469 1 955 . 1 . 1 79 79 THR N N 15 114.8170 0.0000 . 1 . . . . . 79 THR N . 50469 1 956 . 1 . 1 80 80 PHE H H 1 7.6940 0.0000 . 1 . . . . . 80 PHE H . 50469 1 957 . 1 . 1 80 80 PHE HA H 1 4.6040 0.0000 . 1 . . . . . 80 PHE HA . 50469 1 958 . 1 . 1 80 80 PHE HB2 H 1 3.3070 0.0000 . 2 . . . . . 80 PHE HB2 . 50469 1 959 . 1 . 1 80 80 PHE HB3 H 1 2.8940 0.0000 . 2 . . . . . 80 PHE HB3 . 50469 1 960 . 1 . 1 80 80 PHE HD1 H 1 7.3100 0.0000 . 3 . . . . . 80 PHE HD1 . 50469 1 961 . 1 . 1 80 80 PHE HD2 H 1 7.3100 0.0000 . 3 . . . . . 80 PHE HD2 . 50469 1 962 . 1 . 1 80 80 PHE HE1 H 1 6.9200 0.0000 . 3 . . . . . 80 PHE HE1 . 50469 1 963 . 1 . 1 80 80 PHE HE2 H 1 6.9200 0.0000 . 3 . . . . . 80 PHE HE2 . 50469 1 964 . 1 . 1 80 80 PHE HZ H 1 7.0560 0.0000 . 1 . . . . . 80 PHE HZ . 50469 1 965 . 1 . 1 80 80 PHE C C 13 175.5890 0.0000 . 1 . . . . . 80 PHE C . 50469 1 966 . 1 . 1 80 80 PHE CA C 13 57.8520 0.0000 . 1 . . . . . 80 PHE CA . 50469 1 967 . 1 . 1 80 80 PHE CB C 13 38.3940 0.0000 . 1 . . . . . 80 PHE CB . 50469 1 968 . 1 . 1 80 80 PHE CD1 C 13 132.2300 0.0000 . 3 . . . . . 80 PHE CD1 . 50469 1 969 . 1 . 1 80 80 PHE CD2 C 13 129.9600 0.0000 . 3 . . . . . 80 PHE CD2 . 50469 1 970 . 1 . 1 80 80 PHE CE1 C 13 133.4200 0.0000 . 3 . . . . . 80 PHE CE1 . 50469 1 971 . 1 . 1 80 80 PHE CE2 C 13 133.4200 0.0000 . 3 . . . . . 80 PHE CE2 . 50469 1 972 . 1 . 1 80 80 PHE CZ C 13 131.3100 0.0000 . 1 . . . . . 80 PHE CZ . 50469 1 973 . 1 . 1 80 80 PHE N N 15 118.4590 0.0000 . 1 . . . . . 80 PHE N . 50469 1 974 . 1 . 1 81 81 SER H H 1 7.4830 0.0000 . 1 . . . . . 81 SER H . 50469 1 975 . 1 . 1 81 81 SER HA H 1 4.4300 0.0000 . 1 . . . . . 81 SER HA . 50469 1 976 . 1 . 1 81 81 SER HB2 H 1 3.8480 0.0000 . 2 . . . . . 81 SER HB2 . 50469 1 977 . 1 . 1 81 81 SER HB3 H 1 3.8480 0.0000 . 2 . . . . . 81 SER HB3 . 50469 1 978 . 1 . 1 81 81 SER C C 13 173.9870 0.0000 . 1 . . . . . 81 SER C . 50469 1 979 . 1 . 1 81 81 SER CA C 13 58.6050 0.0000 . 1 . . . . . 81 SER CA . 50469 1 980 . 1 . 1 81 81 SER CB C 13 64.1560 0.0000 . 1 . . . . . 81 SER CB . 50469 1 981 . 1 . 1 81 81 SER N N 15 115.1570 0.0000 . 1 . . . . . 81 SER N . 50469 1 982 . 1 . 1 82 82 ASP H H 1 8.2840 0.0000 . 1 . . . . . 82 ASP H . 50469 1 983 . 1 . 1 82 82 ASP HA H 1 4.5950 0.0000 . 1 . . . . . 82 ASP HA . 50469 1 984 . 1 . 1 82 82 ASP HB2 H 1 2.6680 0.0000 . 2 . . . . . 82 ASP HB2 . 50469 1 985 . 1 . 1 82 82 ASP HB3 H 1 2.5740 0.0000 . 2 . . . . . 82 ASP HB3 . 50469 1 986 . 1 . 1 82 82 ASP C C 13 176.2770 0.0000 . 1 . . . . . 82 ASP C . 50469 1 987 . 1 . 1 82 82 ASP CA C 13 54.4510 0.0000 . 1 . . . . . 82 ASP CA . 50469 1 988 . 1 . 1 82 82 ASP CB C 13 40.8180 0.0000 . 1 . . . . . 82 ASP CB . 50469 1 989 . 1 . 1 82 82 ASP N N 15 121.2300 0.0000 . 1 . . . . . 82 ASP N . 50469 1 990 . 1 . 1 83 83 VAL H H 1 7.8850 0.0000 . 1 . . . . . 83 VAL H . 50469 1 991 . 1 . 1 83 83 VAL HA H 1 4.0780 0.0000 . 1 . . . . . 83 VAL HA . 50469 1 992 . 1 . 1 83 83 VAL HB H 1 2.0670 0.0000 . 1 . . . . . 83 VAL HB . 50469 1 993 . 1 . 1 83 83 VAL HG11 H 1 0.8430 0.0000 . 2 . . . . . 83 VAL HG11 . 50469 1 994 . 1 . 1 83 83 VAL HG12 H 1 0.8430 0.0000 . 2 . . . . . 83 VAL HG11 . 50469 1 995 . 1 . 1 83 83 VAL HG13 H 1 0.8430 0.0000 . 2 . . . . . 83 VAL HG11 . 50469 1 996 . 1 . 1 83 83 VAL HG21 H 1 0.7910 0.0000 . 2 . . . . . 83 VAL HG21 . 50469 1 997 . 1 . 1 83 83 VAL HG22 H 1 0.7910 0.0000 . 2 . . . . . 83 VAL HG21 . 50469 1 998 . 1 . 1 83 83 VAL HG23 H 1 0.7910 0.0000 . 2 . . . . . 83 VAL HG21 . 50469 1 999 . 1 . 1 83 83 VAL C C 13 176.2140 0.0000 . 1 . . . . . 83 VAL C . 50469 1 1000 . 1 . 1 83 83 VAL CA C 13 62.2940 0.0000 . 1 . . . . . 83 VAL CA . 50469 1 1001 . 1 . 1 83 83 VAL CB C 13 32.1600 0.0000 . 1 . . . . . 83 VAL CB . 50469 1 1002 . 1 . 1 83 83 VAL CG1 C 13 21.2460 0.0000 . 2 . . . . . 83 VAL CG1 . 50469 1 1003 . 1 . 1 83 83 VAL CG2 C 13 20.1900 0.0000 . 2 . . . . . 83 VAL CG2 . 50469 1 1004 . 1 . 1 83 83 VAL N N 15 117.8240 0.0000 . 1 . . . . . 83 VAL N . 50469 1 1005 . 1 . 1 84 84 ILE H H 1 7.7610 0.0000 . 1 . . . . . 84 ILE H . 50469 1 1006 . 1 . 1 84 84 ILE HA H 1 4.0500 0.0000 . 1 . . . . . 84 ILE HA . 50469 1 1007 . 1 . 1 84 84 ILE HB H 1 1.7470 0.0000 . 1 . . . . . 84 ILE HB . 50469 1 1008 . 1 . 1 84 84 ILE HG12 H 1 1.2670 0.0000 . 2 . . . . . 84 ILE HG12 . 50469 1 1009 . 1 . 1 84 84 ILE HG13 H 1 1.0890 0.0000 . 1 . . . . . 84 ILE HG13 . 50469 1 1010 . 1 . 1 84 84 ILE HG21 H 1 0.7900 0.0000 . 1 . . . . . 84 ILE HG21 . 50469 1 1011 . 1 . 1 84 84 ILE HG22 H 1 0.7900 0.0000 . 1 . . . . . 84 ILE HG21 . 50469 1 1012 . 1 . 1 84 84 ILE HG23 H 1 0.7900 0.0000 . 1 . . . . . 84 ILE HG21 . 50469 1 1013 . 1 . 1 84 84 ILE HD11 H 1 0.7330 0.0000 . 1 . . . . . 84 ILE HD11 . 50469 1 1014 . 1 . 1 84 84 ILE HD12 H 1 0.7330 0.0000 . 1 . . . . . 84 ILE HD11 . 50469 1 1015 . 1 . 1 84 84 ILE HD13 H 1 0.7330 0.0000 . 1 . . . . . 84 ILE HD11 . 50469 1 1016 . 1 . 1 84 84 ILE C C 13 175.6870 0.0000 . 1 . . . . . 84 ILE C . 50469 1 1017 . 1 . 1 84 84 ILE CA C 13 61.4370 0.0000 . 1 . . . . . 84 ILE CA . 50469 1 1018 . 1 . 1 84 84 ILE CB C 13 38.6700 0.0000 . 1 . . . . . 84 ILE CB . 50469 1 1019 . 1 . 1 84 84 ILE CG1 C 13 27.1160 0.0000 . 1 . . . . . 84 ILE CG1 . 50469 1 1020 . 1 . 1 84 84 ILE CG2 C 13 17.3730 0.0000 . 1 . . . . . 84 ILE CG2 . 50469 1 1021 . 1 . 1 84 84 ILE CD1 C 13 13.3810 0.0000 . 1 . . . . . 84 ILE CD1 . 50469 1 1022 . 1 . 1 84 84 ILE N N 15 121.4100 0.0000 . 1 . . . . . 84 ILE N . 50469 1 1023 . 1 . 1 85 85 ASN H H 1 8.2370 0.0000 . 1 . . . . . 85 ASN H . 50469 1 1024 . 1 . 1 85 85 ASN HA H 1 4.6980 0.0000 . 1 . . . . . 85 ASN HA . 50469 1 1025 . 1 . 1 85 85 ASN HB2 H 1 2.7620 0.0000 . 2 . . . . . 85 ASN HB2 . 50469 1 1026 . 1 . 1 85 85 ASN HB3 H 1 2.6870 0.0000 . 2 . . . . . 85 ASN HB3 . 50469 1 1027 . 1 . 1 85 85 ASN HD21 H 1 7.6120 0.0000 . 2 . . . . . 85 ASN HD21 . 50469 1 1028 . 1 . 1 85 85 ASN HD22 H 1 6.9350 0.0000 . 2 . . . . . 85 ASN HD22 . 50469 1 1029 . 1 . 1 85 85 ASN C C 13 174.7480 0.0000 . 1 . . . . . 85 ASN C . 50469 1 1030 . 1 . 1 85 85 ASN CA C 13 53.2210 0.0000 . 1 . . . . . 85 ASN CA . 50469 1 1031 . 1 . 1 85 85 ASN CB C 13 38.6830 0.0000 . 1 . . . . . 85 ASN CB . 50469 1 1032 . 1 . 1 85 85 ASN N N 15 120.3600 0.0000 . 1 . . . . . 85 ASN N . 50469 1 1033 . 1 . 1 85 85 ASN ND2 N 15 113.6510 0.0000 . 1 . . . . . 85 ASN ND2 . 50469 1 1034 . 1 . 1 86 86 ILE H H 1 7.8330 0.0000 . 1 . . . . . 86 ILE H . 50469 1 1035 . 1 . 1 86 86 ILE HA H 1 4.0900 0.0000 . 1 . . . . . 86 ILE HA . 50469 1 1036 . 1 . 1 86 86 ILE HB H 1 1.8000 0.0000 . 1 . . . . . 86 ILE HB . 50469 1 1037 . 1 . 1 86 86 ILE HG12 H 1 1.3570 0.0000 . 2 . . . . . 86 ILE HG12 . 50469 1 1038 . 1 . 1 86 86 ILE HG13 H 1 0.9840 0.0000 . 2 . . . . . 86 ILE HG13 . 50469 1 1039 . 1 . 1 86 86 ILE HG21 H 1 0.7280 0.0000 . 1 . . . . . 86 ILE HG21 . 50469 1 1040 . 1 . 1 86 86 ILE HG22 H 1 0.7280 0.0000 . 1 . . . . . 86 ILE HG21 . 50469 1 1041 . 1 . 1 86 86 ILE HG23 H 1 0.7280 0.0000 . 1 . . . . . 86 ILE HG21 . 50469 1 1042 . 1 . 1 86 86 ILE HD11 H 1 0.6400 0.0000 . 1 . . . . . 86 ILE HD11 . 50469 1 1043 . 1 . 1 86 86 ILE HD12 H 1 0.6400 0.0000 . 1 . . . . . 86 ILE HD11 . 50469 1 1044 . 1 . 1 86 86 ILE HD13 H 1 0.6400 0.0000 . 1 . . . . . 86 ILE HD11 . 50469 1 1045 . 1 . 1 86 86 ILE C C 13 175.6210 0.0000 . 1 . . . . . 86 ILE C . 50469 1 1046 . 1 . 1 86 86 ILE CA C 13 61.6640 0.0000 . 1 . . . . . 86 ILE CA . 50469 1 1047 . 1 . 1 86 86 ILE CB C 13 38.8580 0.0000 . 1 . . . . . 86 ILE CB . 50469 1 1048 . 1 . 1 86 86 ILE CG1 C 13 27.3800 0.0000 . 1 . . . . . 86 ILE CG1 . 50469 1 1049 . 1 . 1 86 86 ILE CG2 C 13 17.4300 0.0000 . 1 . . . . . 86 ILE CG2 . 50469 1 1050 . 1 . 1 86 86 ILE CD1 C 13 13.0600 0.0000 . 1 . . . . . 86 ILE CD1 . 50469 1 1051 . 1 . 1 86 86 ILE N N 15 119.7080 0.0000 . 1 . . . . . 86 ILE N . 50469 1 1052 . 1 . 1 87 87 ASN H H 1 8.6380 0.0000 . 1 . . . . . 87 ASN H . 50469 1 1053 . 1 . 1 87 87 ASN HA H 1 4.9240 0.0000 . 1 . . . . . 87 ASN HA . 50469 1 1054 . 1 . 1 87 87 ASN HB2 H 1 2.7620 0.0000 . 2 . . . . . 87 ASN HB2 . 50469 1 1055 . 1 . 1 87 87 ASN HB3 H 1 2.5370 0.0000 . 2 . . . . . 87 ASN HB3 . 50469 1 1056 . 1 . 1 87 87 ASN HD21 H 1 7.7900 0.0000 . 2 . . . . . 87 ASN HD21 . 50469 1 1057 . 1 . 1 87 87 ASN HD22 H 1 7.0910 0.0000 . 2 . . . . . 87 ASN HD22 . 50469 1 1058 . 1 . 1 87 87 ASN C C 13 173.5820 0.0000 . 1 . . . . . 87 ASN C . 50469 1 1059 . 1 . 1 87 87 ASN CA C 13 52.8020 0.0000 . 1 . . . . . 87 ASN CA . 50469 1 1060 . 1 . 1 87 87 ASN CB C 13 39.8420 0.0000 . 1 . . . . . 87 ASN CB . 50469 1 1061 . 1 . 1 87 87 ASN N N 15 123.6290 0.0000 . 1 . . . . . 87 ASN N . 50469 1 1062 . 1 . 1 87 87 ASN ND2 N 15 114.0920 0.0000 . 1 . . . . . 87 ASN ND2 . 50469 1 1063 . 1 . 1 88 88 ILE H H 1 8.5040 0.0000 . 1 . . . . . 88 ILE H . 50469 1 1064 . 1 . 1 88 88 ILE HA H 1 4.7120 0.0000 . 1 . . . . . 88 ILE HA . 50469 1 1065 . 1 . 1 88 88 ILE HB H 1 1.7580 0.0000 . 1 . . . . . 88 ILE HB . 50469 1 1066 . 1 . 1 88 88 ILE HG12 H 1 1.5790 0.0000 . 2 . . . . . 88 ILE HG12 . 50469 1 1067 . 1 . 1 88 88 ILE HG13 H 1 1.0510 0.0000 . 2 . . . . . 88 ILE HG13 . 50469 1 1068 . 1 . 1 88 88 ILE HG21 H 1 0.8900 0.0000 . 1 . . . . . 88 ILE HG21 . 50469 1 1069 . 1 . 1 88 88 ILE HG22 H 1 0.8900 0.0000 . 1 . . . . . 88 ILE HG21 . 50469 1 1070 . 1 . 1 88 88 ILE HG23 H 1 0.8900 0.0000 . 1 . . . . . 88 ILE HG21 . 50469 1 1071 . 1 . 1 88 88 ILE HD11 H 1 0.9320 0.0000 . 1 . . . . . 88 ILE HD11 . 50469 1 1072 . 1 . 1 88 88 ILE HD12 H 1 0.9320 0.0000 . 1 . . . . . 88 ILE HD11 . 50469 1 1073 . 1 . 1 88 88 ILE HD13 H 1 0.9320 0.0000 . 1 . . . . . 88 ILE HD11 . 50469 1 1074 . 1 . 1 88 88 ILE C C 13 175.2820 0.0000 . 1 . . . . . 88 ILE C . 50469 1 1075 . 1 . 1 88 88 ILE CA C 13 60.9170 0.0000 . 1 . . . . . 88 ILE CA . 50469 1 1076 . 1 . 1 88 88 ILE CB C 13 40.9460 0.0000 . 1 . . . . . 88 ILE CB . 50469 1 1077 . 1 . 1 88 88 ILE CG1 C 13 27.7100 0.0000 . 1 . . . . . 88 ILE CG1 . 50469 1 1078 . 1 . 1 88 88 ILE CG2 C 13 18.7400 0.0000 . 1 . . . . . 88 ILE CG2 . 50469 1 1079 . 1 . 1 88 88 ILE CD1 C 13 13.8600 0.0000 . 1 . . . . . 88 ILE CD1 . 50469 1 1080 . 1 . 1 88 88 ILE N N 15 123.0440 0.0000 . 1 . . . . . 88 ILE N . 50469 1 1081 . 1 . 1 89 89 TYR H H 1 9.3900 0.0000 . 1 . . . . . 89 TYR H . 50469 1 1082 . 1 . 1 89 89 TYR HA H 1 5.0030 0.0000 . 1 . . . . . 89 TYR HA . 50469 1 1083 . 1 . 1 89 89 TYR HB2 H 1 2.8200 0.0000 . 2 . . . . . 89 TYR HB2 . 50469 1 1084 . 1 . 1 89 89 TYR HB3 H 1 2.7220 0.0000 . 2 . . . . . 89 TYR HB3 . 50469 1 1085 . 1 . 1 89 89 TYR HD1 H 1 7.1540 0.0000 . 3 . . . . . 89 TYR HD1 . 50469 1 1086 . 1 . 1 89 89 TYR HD2 H 1 7.1540 0.0000 . 3 . . . . . 89 TYR HD2 . 50469 1 1087 . 1 . 1 89 89 TYR HE1 H 1 6.9440 0.0000 . 3 . . . . . 89 TYR HE1 . 50469 1 1088 . 1 . 1 89 89 TYR HE2 H 1 6.9440 0.0000 . 3 . . . . . 89 TYR HE2 . 50469 1 1089 . 1 . 1 89 89 TYR C C 13 173.0160 0.0000 . 1 . . . . . 89 TYR C . 50469 1 1090 . 1 . 1 89 89 TYR CA C 13 55.6680 0.0000 . 1 . . . . . 89 TYR CA . 50469 1 1091 . 1 . 1 89 89 TYR CB C 13 41.7070 0.0000 . 1 . . . . . 89 TYR CB . 50469 1 1092 . 1 . 1 89 89 TYR CD1 C 13 133.6000 0.0000 . 3 . . . . . 89 TYR CD1 . 50469 1 1093 . 1 . 1 89 89 TYR CD2 C 13 133.6000 0.0000 . 3 . . . . . 89 TYR CD2 . 50469 1 1094 . 1 . 1 89 89 TYR CE1 C 13 120.1900 0.0000 . 3 . . . . . 89 TYR CE1 . 50469 1 1095 . 1 . 1 89 89 TYR CE2 C 13 120.1900 0.0000 . 3 . . . . . 89 TYR CE2 . 50469 1 1096 . 1 . 1 89 89 TYR N N 15 128.1950 0.0000 . 1 . . . . . 89 TYR N . 50469 1 1097 . 1 . 1 90 90 ASN H H 1 9.1400 0.0000 . 1 . . . . . 90 ASN H . 50469 1 1098 . 1 . 1 90 90 ASN HA H 1 5.3100 0.0000 . 1 . . . . . 90 ASN HA . 50469 1 1099 . 1 . 1 90 90 ASN HB2 H 1 3.1300 0.0000 . 2 . . . . . 90 ASN HB2 . 50469 1 1100 . 1 . 1 90 90 ASN HB3 H 1 2.8900 0.0000 . 2 . . . . . 90 ASN HB3 . 50469 1 1101 . 1 . 1 90 90 ASN HD21 H 1 7.6890 0.0000 . 2 . . . . . 90 ASN HD21 . 50469 1 1102 . 1 . 1 90 90 ASN HD22 H 1 6.9230 0.0000 . 2 . . . . . 90 ASN HD22 . 50469 1 1103 . 1 . 1 90 90 ASN C C 13 173.5460 0.0000 . 1 . . . . . 90 ASN C . 50469 1 1104 . 1 . 1 90 90 ASN CA C 13 48.3910 0.0000 . 1 . . . . . 90 ASN CA . 50469 1 1105 . 1 . 1 90 90 ASN CB C 13 39.1620 0.0000 . 1 . . . . . 90 ASN CB . 50469 1 1106 . 1 . 1 90 90 ASN N N 15 127.3680 0.0000 . 1 . . . . . 90 ASN N . 50469 1 1107 . 1 . 1 90 90 ASN ND2 N 15 113.6510 0.0000 . 1 . . . . . 90 ASN ND2 . 50469 1 1108 . 1 . 1 91 91 PRO HA H 1 4.2510 0.0000 . 1 . . . . . 91 PRO HA . 50469 1 1109 . 1 . 1 91 91 PRO C C 13 175.8500 0.0000 . 1 . . . . . 91 PRO C . 50469 1 1110 . 1 . 1 91 91 PRO CA C 13 62.6600 0.0000 . 1 . . . . . 91 PRO CA . 50469 1 1111 . 1 . 1 91 91 PRO CB C 13 32.1800 0.0000 . 1 . . . . . 91 PRO CB . 50469 1 1112 . 1 . 1 92 92 CYS H H 1 8.1900 0.0000 . 1 . . . . . 92 CYS H . 50469 1 1113 . 1 . 1 92 92 CYS HA H 1 4.7530 0.0000 . 1 . . . . . 92 CYS HA . 50469 1 1114 . 1 . 1 92 92 CYS HB2 H 1 3.2820 0.0000 . 2 . . . . . 92 CYS HB2 . 50469 1 1115 . 1 . 1 92 92 CYS HB3 H 1 2.9980 0.0000 . 2 . . . . . 92 CYS HB3 . 50469 1 1116 . 1 . 1 92 92 CYS C C 13 174.6390 0.0000 . 1 . . . . . 92 CYS C . 50469 1 1117 . 1 . 1 92 92 CYS CA C 13 53.6200 0.0000 . 1 . . . . . 92 CYS CA . 50469 1 1118 . 1 . 1 92 92 CYS CB C 13 41.2500 0.0000 . 1 . . . . . 92 CYS CB . 50469 1 1119 . 1 . 1 92 92 CYS N N 15 115.5400 0.0000 . 1 . . . . . 92 CYS N . 50469 1 1120 . 1 . 1 93 93 VAL H H 1 7.2080 0.0000 . 1 . . . . . 93 VAL H . 50469 1 1121 . 1 . 1 93 93 VAL HA H 1 4.5500 0.0000 . 1 . . . . . 93 VAL HA . 50469 1 1122 . 1 . 1 93 93 VAL HB H 1 2.1330 0.0000 . 1 . . . . . 93 VAL HB . 50469 1 1123 . 1 . 1 93 93 VAL HG11 H 1 0.8790 0.0000 . 2 . . . . . 93 VAL HG11 . 50469 1 1124 . 1 . 1 93 93 VAL HG12 H 1 0.8790 0.0000 . 2 . . . . . 93 VAL HG11 . 50469 1 1125 . 1 . 1 93 93 VAL HG13 H 1 0.8790 0.0000 . 2 . . . . . 93 VAL HG11 . 50469 1 1126 . 1 . 1 93 93 VAL HG21 H 1 0.8350 0.0000 . 2 . . . . . 93 VAL HG21 . 50469 1 1127 . 1 . 1 93 93 VAL HG22 H 1 0.8350 0.0000 . 2 . . . . . 93 VAL HG21 . 50469 1 1128 . 1 . 1 93 93 VAL HG23 H 1 0.8350 0.0000 . 2 . . . . . 93 VAL HG21 . 50469 1 1129 . 1 . 1 93 93 VAL C C 13 174.6810 0.0000 . 1 . . . . . 93 VAL C . 50469 1 1130 . 1 . 1 93 93 VAL CA C 13 59.5120 0.0000 . 1 . . . . . 93 VAL CA . 50469 1 1131 . 1 . 1 93 93 VAL CB C 13 35.2820 0.0000 . 1 . . . . . 93 VAL CB . 50469 1 1132 . 1 . 1 93 93 VAL CG1 C 13 21.2400 0.0000 . 2 . . . . . 93 VAL CG1 . 50469 1 1133 . 1 . 1 93 93 VAL CG2 C 13 19.3100 0.0000 . 2 . . . . . 93 VAL CG2 . 50469 1 1134 . 1 . 1 93 93 VAL N N 15 115.4650 0.0000 . 1 . . . . . 93 VAL N . 50469 1 1135 . 1 . 1 94 94 VAL HA H 1 4.55900 0.0000 . 1 . . . . . 94 VAL HA . 50469 1 1136 . 1 . 1 94 94 VAL HB H 1 2.1330 0.0000 . 1 . . . . . 94 VAL HB . 50469 1 1137 . 1 . 1 94 94 VAL CA C 13 59.5000 0.0000 . 1 . . . . . 94 VAL CA . 50469 1 1138 . 1 . 1 94 94 VAL CB C 13 32.7200 0.0000 . 1 . . . . . 94 VAL CB . 50469 1 1139 . 1 . 1 95 95 PRO HA H 1 4.8280 0.0000 . 1 . . . . . 95 PRO HA . 50469 1 1140 . 1 . 1 95 95 PRO HB2 H 1 2.4470 0.0000 . 2 . . . . . 95 PRO HB2 . 50469 1 1141 . 1 . 1 95 95 PRO HB3 H 1 2.1130 0.0000 . 2 . . . . . 95 PRO HB3 . 50469 1 1142 . 1 . 1 95 95 PRO HG2 H 1 2.0270 0.0000 . 2 . . . . . 95 PRO HG2 . 50469 1 1143 . 1 . 1 95 95 PRO HG3 H 1 1.7220 0.0000 . 2 . . . . . 95 PRO HG3 . 50469 1 1144 . 1 . 1 95 95 PRO C C 13 175.5350 0.0000 . 1 . . . . . 95 PRO C . 50469 1 1145 . 1 . 1 95 95 PRO CA C 13 63.7500 0.0000 . 1 . . . . . 95 PRO CA . 50469 1 1146 . 1 . 1 95 95 PRO CB C 13 32.9700 0.0000 . 1 . . . . . 95 PRO CB . 50469 1 1147 . 1 . 1 95 95 PRO CG C 13 24.1500 0.0000 . 1 . . . . . 95 PRO CG . 50469 1 1148 . 1 . 1 96 96 ASN H H 1 8.6370 0.0000 . 1 . . . . . 96 ASN H . 50469 1 1149 . 1 . 1 96 96 ASN HA H 1 5.0900 0.0000 . 1 . . . . . 96 ASN HA . 50469 1 1150 . 1 . 1 96 96 ASN HB2 H 1 2.9880 0.0000 . 2 . . . . . 96 ASN HB2 . 50469 1 1151 . 1 . 1 96 96 ASN HB3 H 1 2.7260 0.0000 . 2 . . . . . 96 ASN HB3 . 50469 1 1152 . 1 . 1 96 96 ASN HD21 H 1 7.7930 0.0000 . 2 . . . . . 96 ASN HD21 . 50469 1 1153 . 1 . 1 96 96 ASN HD22 H 1 7.0950 0.0000 . 2 . . . . . 96 ASN HD22 . 50469 1 1154 . 1 . 1 96 96 ASN C C 13 174.0410 0.0000 . 1 . . . . . 96 ASN C . 50469 1 1155 . 1 . 1 96 96 ASN CA C 13 52.9600 0.0000 . 1 . . . . . 96 ASN CA . 50469 1 1156 . 1 . 1 96 96 ASN CB C 13 39.4590 0.0000 . 1 . . . . . 96 ASN CB . 50469 1 1157 . 1 . 1 96 96 ASN N N 15 122.1300 0.0000 . 1 . . . . . 96 ASN N . 50469 1 1158 . 1 . 1 96 96 ASN ND2 N 15 113.4130 0.0000 . 1 . . . . . 96 ASN ND2 . 50469 1 1159 . 1 . 1 97 97 ILE H H 1 7.6040 0.0000 . 1 . . . . . 97 ILE H . 50469 1 1160 . 1 . 1 97 97 ILE HA H 1 3.8500 0.0000 . 1 . . . . . 97 ILE HA . 50469 1 1161 . 1 . 1 97 97 ILE HB H 1 1.6900 0.0000 . 1 . . . . . 97 ILE HB . 50469 1 1162 . 1 . 1 97 97 ILE HG12 H 1 1.3440 0.0000 . 2 . . . . . 97 ILE HG12 . 50469 1 1163 . 1 . 1 97 97 ILE HG13 H 1 0.7440 0.0000 . 2 . . . . . 97 ILE HG13 . 50469 1 1164 . 1 . 1 97 97 ILE HG21 H 1 0.8100 0.0000 . 1 . . . . . 97 ILE HG21 . 50469 1 1165 . 1 . 1 97 97 ILE HG22 H 1 0.8100 0.0000 . 1 . . . . . 97 ILE HG21 . 50469 1 1166 . 1 . 1 97 97 ILE HG23 H 1 0.8100 0.0000 . 1 . . . . . 97 ILE HG21 . 50469 1 1167 . 1 . 1 97 97 ILE HD11 H 1 0.7500 0.0000 . 1 . . . . . 97 ILE HD11 . 50469 1 1168 . 1 . 1 97 97 ILE HD12 H 1 0.7500 0.0000 . 1 . . . . . 97 ILE HD11 . 50469 1 1169 . 1 . 1 97 97 ILE HD13 H 1 0.7500 0.0000 . 1 . . . . . 97 ILE HD11 . 50469 1 1170 . 1 . 1 97 97 ILE C C 13 177.3770 0.0000 . 1 . . . . . 97 ILE C . 50469 1 1171 . 1 . 1 97 97 ILE CA C 13 61.9140 0.0000 . 1 . . . . . 97 ILE CA . 50469 1 1172 . 1 . 1 97 97 ILE CB C 13 37.4790 0.0000 . 1 . . . . . 97 ILE CB . 50469 1 1173 . 1 . 1 97 97 ILE CG1 C 13 28.5500 0.0000 . 1 . . . . . 97 ILE CG1 . 50469 1 1174 . 1 . 1 97 97 ILE CG2 C 13 16.7200 0.0000 . 1 . . . . . 97 ILE CG2 . 50469 1 1175 . 1 . 1 97 97 ILE CD1 C 13 12.6300 0.0000 . 1 . . . . . 97 ILE CD1 . 50469 1 1176 . 1 . 1 97 97 ILE N N 15 119.6010 0.0000 . 1 . . . . . 97 ILE N . 50469 1 1177 . 1 . 1 98 98 ASN H H 1 8.9270 0.0000 . 1 . . . . . 98 ASN H . 50469 1 1178 . 1 . 1 98 98 ASN HA H 1 4.8030 0.0000 . 1 . . . . . 98 ASN HA . 50469 1 1179 . 1 . 1 98 98 ASN HB2 H 1 3.1900 0.0000 . 2 . . . . . 98 ASN HB2 . 50469 1 1180 . 1 . 1 98 98 ASN HB3 H 1 2.7810 0.0000 . 2 . . . . . 98 ASN HB3 . 50469 1 1181 . 1 . 1 98 98 ASN HD21 H 1 6.5730 0.0000 . 2 . . . . . 98 ASN HD21 . 50469 1 1182 . 1 . 1 98 98 ASN HD22 H 1 5.2110 0.0000 . 2 . . . . . 98 ASN HD22 . 50469 1 1183 . 1 . 1 98 98 ASN C C 13 175.0820 0.0000 . 1 . . . . . 98 ASN C . 50469 1 1184 . 1 . 1 98 98 ASN CA C 13 53.4610 0.0000 . 1 . . . . . 98 ASN CA . 50469 1 1185 . 1 . 1 98 98 ASN CB C 13 53.4610 0.0000 . 1 . . . . . 98 ASN CB . 50469 1 1186 . 1 . 1 98 98 ASN N N 15 126.5610 0.0000 . 1 . . . . . 98 ASN N . 50469 1 1187 . 1 . 1 98 98 ASN ND2 N 15 112.5040 0.0000 . 1 . . . . . 98 ASN ND2 . 50469 1 1188 . 1 . 1 100 100 ALA HA H 1 4.2120 0.0000 . 1 . . . . . 100 ALA HA . 50469 1 1189 . 1 . 1 100 100 ALA HB1 H 1 1.5620 0.0000 . 1 . . . . . 100 ALA HB1 . 50469 1 1190 . 1 . 1 100 100 ALA HB2 H 1 1.5620 0.0000 . 1 . . . . . 100 ALA HB1 . 50469 1 1191 . 1 . 1 100 100 ALA HB3 H 1 1.5620 0.0000 . 1 . . . . . 100 ALA HB1 . 50469 1 1192 . 1 . 1 100 100 ALA C C 13 181.5170 0.0000 . 1 . . . . . 100 ALA C . 50469 1 1193 . 1 . 1 100 100 ALA CA C 13 55.7180 0.0000 . 1 . . . . . 100 ALA CA . 50469 1 1194 . 1 . 1 100 100 ALA CB C 13 18.1840 0.0000 . 1 . . . . . 100 ALA CB . 50469 1 1195 . 1 . 1 101 101 GLU H H 1 8.2760 0.0000 . 1 . . . . . 101 GLU H . 50469 1 1196 . 1 . 1 101 101 GLU HA H 1 4.301 0.0000 . 1 . . . . . 101 GLU HA . 50469 1 1197 . 1 . 1 101 101 GLU HB2 H 1 2.2830 0.0000 . 2 . . . . . 101 GLU HB2 . 50469 1 1198 . 1 . 1 101 101 GLU HB3 H 1 2.0760 0.0000 . 2 . . . . . 101 GLU HB3 . 50469 1 1199 . 1 . 1 101 101 GLU HG2 H 1 2.4390 0.0000 . 2 . . . . . 101 GLU HG2 . 50469 1 1200 . 1 . 1 101 101 GLU HG3 H 1 2.2670 0.0000 . 2 . . . . . 101 GLU HG3 . 50469 1 1201 . 1 . 1 101 101 GLU C C 13 178.8380 0.0000 . 1 . . . . . 101 GLU C . 50469 1 1202 . 1 . 1 101 101 GLU CA C 13 59.4600 0.0000 . 1 . . . . . 101 GLU CA . 50469 1 1203 . 1 . 1 101 101 GLU CB C 13 30.5900 0.0000 . 1 . . . . . 101 GLU CB . 50469 1 1204 . 1 . 1 101 101 GLU CG C 13 36.5600 0.0000 . 1 . . . . . 101 GLU CG . 50469 1 1205 . 1 . 1 101 101 GLU N N 15 119.0760 0.0000 . 1 . . . . . 101 GLU N . 50469 1 1206 . 1 . 1 102 102 CYS H H 1 8.8000 0.0000 . 1 . . . . . 102 CYS H . 50469 1 1207 . 1 . 1 102 102 CYS HA H 1 4.2730 0.0000 . 1 . . . . . 102 CYS HA . 50469 1 1208 . 1 . 1 102 102 CYS HB2 H 1 3.2700 0.0000 . 2 . . . . . 102 CYS HB2 . 50469 1 1209 . 1 . 1 102 102 CYS HB3 H 1 2.9130 0.0000 . 2 . . . . . 102 CYS HB3 . 50469 1 1210 . 1 . 1 102 102 CYS C C 13 175.6960 0.0000 . 1 . . . . . 102 CYS C . 50469 1 1211 . 1 . 1 102 102 CYS CA C 13 59.6400 0.0000 . 1 . . . . . 102 CYS CA . 50469 1 1212 . 1 . 1 102 102 CYS CB C 13 40.3000 0.0000 . 1 . . . . . 102 CYS CB . 50469 1 1213 . 1 . 1 102 102 CYS N N 15 118.8200 0.0000 . 1 . . . . . 102 CYS N . 50469 1 1214 . 1 . 1 103 103 GLN H H 1 8.5960 0.0000 . 1 . . . . . 103 GLN H . 50469 1 1215 . 1 . 1 103 103 GLN HA H 1 3.9490 0.0000 . 1 . . . . . 103 GLN HA . 50469 1 1216 . 1 . 1 103 103 GLN HB2 H 1 2.2210 0.0000 . 2 . . . . . 103 GLN HB2 . 50469 1 1217 . 1 . 1 103 103 GLN HB3 H 1 2.1760 0.0000 . 2 . . . . . 103 GLN HB3 . 50469 1 1218 . 1 . 1 103 103 GLN HG2 H 1 2.5260 0.0000 . 2 . . . . . 103 GLN HG2 . 50469 1 1219 . 1 . 1 103 103 GLN HG3 H 1 2.4740 0.0000 . 2 . . . . . 103 GLN HG3 . 50469 1 1220 . 1 . 1 103 103 GLN HE21 H 1 7.9640 0.0000 . 2 . . . . . 103 GLN HE21 . 50469 1 1221 . 1 . 1 103 103 GLN HE22 H 1 6.8340 0.0000 . 2 . . . . . 103 GLN HE22 . 50469 1 1222 . 1 . 1 103 103 GLN C C 13 179.2570 0.0000 . 1 . . . . . 103 GLN C . 50469 1 1223 . 1 . 1 103 103 GLN CA C 13 59.0510 0.0000 . 1 . . . . . 103 GLN CA . 50469 1 1224 . 1 . 1 103 103 GLN CB C 13 28.0290 0.0000 . 1 . . . . . 103 GLN CB . 50469 1 1225 . 1 . 1 103 103 GLN CG C 13 33.9800 0.0000 . 1 . . . . . 103 GLN CG . 50469 1 1226 . 1 . 1 103 103 GLN N N 15 118.1600 0.0000 . 1 . . . . . 103 GLN N . 50469 1 1227 . 1 . 1 103 103 GLN NE2 N 15 116.4310 0.0000 . 1 . . . . . 103 GLN NE2 . 50469 1 1228 . 1 . 1 104 104 PHE H H 1 8.0390 0.0000 . 1 . . . . . 104 PHE H . 50469 1 1229 . 1 . 1 104 104 PHE HA H 1 4.3620 0.0000 . 1 . . . . . 104 PHE HA . 50469 1 1230 . 1 . 1 104 104 PHE HB2 H 1 3.3550 0.0000 . 2 . . . . . 104 PHE HB2 . 50469 1 1231 . 1 . 1 104 104 PHE HB3 H 1 3.1450 0.0000 . 2 . . . . . 104 PHE HB3 . 50469 1 1232 . 1 . 1 104 104 PHE HD1 H 1 7.3620 0.0000 . 3 . . . . . 104 PHE HD1 . 50469 1 1233 . 1 . 1 104 104 PHE HD2 H 1 7.3620 0.0000 . 3 . . . . . 104 PHE HD2 . 50469 1 1234 . 1 . 1 104 104 PHE HE1 H 1 7.0220 0.0000 . 3 . . . . . 104 PHE HE1 . 50469 1 1235 . 1 . 1 104 104 PHE HE2 H 1 7.0220 0.0000 . 3 . . . . . 104 PHE HE2 . 50469 1 1236 . 1 . 1 104 104 PHE C C 13 178.2470 0.0000 . 1 . . . . . 104 PHE C . 50469 1 1237 . 1 . 1 104 104 PHE CA C 13 61.2190 0.0000 . 1 . . . . . 104 PHE CA . 50469 1 1238 . 1 . 1 104 104 PHE CB C 13 38.5740 0.0000 . 1 . . . . . 104 PHE CB . 50469 1 1239 . 1 . 1 104 104 PHE CD1 C 13 131.5400 0.0000 . 3 . . . . . 104 PHE CD1 . 50469 1 1240 . 1 . 1 104 104 PHE CD2 C 13 130.8500 0.0000 . 3 . . . . . 104 PHE CD2 . 50469 1 1241 . 1 . 1 104 104 PHE CE1 C 13 131.2400 0.0000 . 3 . . . . . 104 PHE CE1 . 50469 1 1242 . 1 . 1 104 104 PHE CE2 C 13 131.2400 0.0000 . 3 . . . . . 104 PHE CE2 . 50469 1 1243 . 1 . 1 104 104 PHE N N 15 119.9090 0.0000 . 1 . . . . . 104 PHE N . 50469 1 1244 . 1 . 1 105 105 LEU H H 1 8.3800 0.0000 . 1 . . . . . 105 LEU H . 50469 1 1245 . 1 . 1 105 105 LEU HA H 1 3.5540 0.0000 . 1 . . . . . 105 LEU HA . 50469 1 1246 . 1 . 1 105 105 LEU HB2 H 1 2.1350 0.0000 . 2 . . . . . 105 LEU HB2 . 50469 1 1247 . 1 . 1 105 105 LEU HB3 H 1 1.6190 0.0000 . 2 . . . . . 105 LEU HB3 . 50469 1 1248 . 1 . 1 105 105 LEU HG H 1 1.2060 0.0000 . 1 . . . . . 105 LEU HG . 50469 1 1249 . 1 . 1 105 105 LEU HD11 H 1 0.6510 0.0000 . 2 . . . . . 105 LEU HD11 . 50469 1 1250 . 1 . 1 105 105 LEU HD12 H 1 0.6510 0.0000 . 2 . . . . . 105 LEU HD11 . 50469 1 1251 . 1 . 1 105 105 LEU HD13 H 1 0.6510 0.0000 . 2 . . . . . 105 LEU HD11 . 50469 1 1252 . 1 . 1 105 105 LEU HD21 H 1 0.1730 0.0000 . 2 . . . . . 105 LEU HD21 . 50469 1 1253 . 1 . 1 105 105 LEU HD22 H 1 0.1730 0.0000 . 2 . . . . . 105 LEU HD21 . 50469 1 1254 . 1 . 1 105 105 LEU HD23 H 1 0.1730 0.0000 . 2 . . . . . 105 LEU HD21 . 50469 1 1255 . 1 . 1 105 105 LEU C C 13 177.6070 0.0000 . 1 . . . . . 105 LEU C . 50469 1 1256 . 1 . 1 105 105 LEU CA C 13 57.9900 0.0000 . 1 . . . . . 105 LEU CA . 50469 1 1257 . 1 . 1 105 105 LEU CB C 13 40.7900 0.0000 . 1 . . . . . 105 LEU CB . 50469 1 1258 . 1 . 1 105 105 LEU CG C 13 26.6400 0.0000 . 1 . . . . . 105 LEU CG . 50469 1 1259 . 1 . 1 105 105 LEU CD1 C 13 26.1500 0.0000 . 2 . . . . . 105 LEU CD1 . 50469 1 1260 . 1 . 1 105 105 LEU CD2 C 13 21.2600 0.0000 . 2 . . . . . 105 LEU CD2 . 50469 1 1261 . 1 . 1 105 105 LEU N N 15 122.4500 0.0000 . 1 . . . . . 105 LEU N . 50469 1 1262 . 1 . 1 106 106 LYS H H 1 8.1220 0.0000 . 1 . . . . . 106 LYS H . 50469 1 1263 . 1 . 1 106 106 LYS HA H 1 3.7110 0.0000 . 1 . . . . . 106 LYS HA . 50469 1 1264 . 1 . 1 106 106 LYS HB2 H 1 1.7850 0.0000 . 2 . . . . . 106 LYS HB2 . 50469 1 1265 . 1 . 1 106 106 LYS HB3 H 1 1.7850 0.0000 . 2 . . . . . 106 LYS HB3 . 50469 1 1266 . 1 . 1 106 106 LYS HG2 H 1 1.4020 0.0000 . 2 . . . . . 106 LYS HG2 . 50469 1 1267 . 1 . 1 106 106 LYS HG3 H 1 1.4020 0.0000 . 2 . . . . . 106 LYS HG3 . 50469 1 1268 . 1 . 1 106 106 LYS HD2 H 1 1.6730 0.0000 . 2 . . . . . 106 LYS HD2 . 50469 1 1269 . 1 . 1 106 106 LYS HD3 H 1 1.6210 0.0000 . 2 . . . . . 106 LYS HD3 . 50469 1 1270 . 1 . 1 106 106 LYS HE2 H 1 2.9480 0.0000 . 2 . . . . . 106 LYS HE2 . 50469 1 1271 . 1 . 1 106 106 LYS HE3 H 1 2.9480 0.0000 . 2 . . . . . 106 LYS HE3 . 50469 1 1272 . 1 . 1 106 106 LYS C C 13 178.8360 0.0000 . 1 . . . . . 106 LYS C . 50469 1 1273 . 1 . 1 106 106 LYS CA C 13 59.2120 0.0000 . 1 . . . . . 106 LYS CA . 50469 1 1274 . 1 . 1 106 106 LYS CB C 13 33.9700 0.0000 . 1 . . . . . 106 LYS CB . 50469 1 1275 . 1 . 1 106 106 LYS CG C 13 25.7300 0.0000 . 1 . . . . . 106 LYS CG . 50469 1 1276 . 1 . 1 106 106 LYS CD C 13 29.3000 0.0000 . 1 . . . . . 106 LYS CD . 50469 1 1277 . 1 . 1 106 106 LYS CE C 13 42.2200 0.0000 . 1 . . . . . 106 LYS CE . 50469 1 1278 . 1 . 1 106 106 LYS N N 15 113.2570 0.0000 . 1 . . . . . 106 LYS N . 50469 1 1279 . 1 . 1 107 107 SER H H 1 7.7620 0.0000 . 1 . . . . . 107 SER H . 50469 1 1280 . 1 . 1 107 107 SER HA H 1 4.3320 0.0000 . 1 . . . . . 107 SER HA . 50469 1 1281 . 1 . 1 107 107 SER HB2 H 1 3.9840 0.0000 . 2 . . . . . 107 SER HB2 . 50469 1 1282 . 1 . 1 107 107 SER HB3 H 1 3.9840 0.0000 . 2 . . . . . 107 SER HB3 . 50469 1 1283 . 1 . 1 107 107 SER C C 13 175.2950 0.0000 . 1 . . . . . 107 SER C . 50469 1 1284 . 1 . 1 107 107 SER CA C 13 60.4140 0.0000 . 1 . . . . . 107 SER CA . 50469 1 1285 . 1 . 1 107 107 SER CB C 13 63.6080 0.0000 . 1 . . . . . 107 SER CB . 50469 1 1286 . 1 . 1 107 107 SER N N 15 113.8270 0.0000 . 1 . . . . . 107 SER N . 50469 1 1287 . 1 . 1 108 108 VAL H H 1 7.1890 0.0000 . 1 . . . . . 108 VAL H . 50469 1 1288 . 1 . 1 108 108 VAL HA H 1 4.4450 0.0000 . 1 . . . . . 108 VAL HA . 50469 1 1289 . 1 . 1 108 108 VAL HB H 1 2.2070 0.0000 . 1 . . . . . 108 VAL HB . 50469 1 1290 . 1 . 1 108 108 VAL HG11 H 1 0.8440 0.0000 . 2 . . . . . 108 VAL HG11 . 50469 1 1291 . 1 . 1 108 108 VAL HG12 H 1 0.8440 0.0000 . 2 . . . . . 108 VAL HG11 . 50469 1 1292 . 1 . 1 108 108 VAL HG13 H 1 0.8440 0.0000 . 2 . . . . . 108 VAL HG11 . 50469 1 1293 . 1 . 1 108 108 VAL HG21 H 1 0.5790 0.0000 . 2 . . . . . 108 VAL HG21 . 50469 1 1294 . 1 . 1 108 108 VAL HG22 H 1 0.5790 0.0000 . 2 . . . . . 108 VAL HG21 . 50469 1 1295 . 1 . 1 108 108 VAL HG23 H 1 0.5790 0.0000 . 2 . . . . . 108 VAL HG21 . 50469 1 1296 . 1 . 1 108 108 VAL C C 13 175.9890 0.0000 . 1 . . . . . 108 VAL C . 50469 1 1297 . 1 . 1 108 108 VAL CA C 13 62.1000 0.0000 . 1 . . . . . 108 VAL CA . 50469 1 1298 . 1 . 1 108 108 VAL CB C 13 32.4400 0.0000 . 1 . . . . . 108 VAL CB . 50469 1 1299 . 1 . 1 108 108 VAL CG1 C 13 18.1800 0.0000 . 2 . . . . . 108 VAL CG1 . 50469 1 1300 . 1 . 1 108 108 VAL CG2 C 13 21.3800 0.0000 . 2 . . . . . 108 VAL CG2 . 50469 1 1301 . 1 . 1 108 108 VAL N N 15 115.2300 0.0000 . 1 . . . . . 108 VAL N . 50469 1 1302 . 1 . 1 109 109 LEU H H 1 6.6840 0.0000 . 1 . . . . . 109 LEU H . 50469 1 1303 . 1 . 1 109 109 LEU HA H 1 4.0510 0.0000 . 1 . . . . . 109 LEU HA . 50469 1 1304 . 1 . 1 109 109 LEU HB2 H 1 1.5110 0.0000 . 2 . . . . . 109 LEU HB2 . 50469 1 1305 . 1 . 1 109 109 LEU HB3 H 1 1.3250 0.0000 . 2 . . . . . 109 LEU HB3 . 50469 1 1306 . 1 . 1 109 109 LEU HG H 1 1.7650 0.0000 . 1 . . . . . 109 LEU HG . 50469 1 1307 . 1 . 1 109 109 LEU HD11 H 1 0.5330 0.0000 . 2 . . . . . 109 LEU HD11 . 50469 1 1308 . 1 . 1 109 109 LEU HD12 H 1 0.5330 0.0000 . 2 . . . . . 109 LEU HD11 . 50469 1 1309 . 1 . 1 109 109 LEU HD13 H 1 0.5330 0.0000 . 2 . . . . . 109 LEU HD11 . 50469 1 1310 . 1 . 1 109 109 LEU HD21 H 1 0.4110 0.0000 . 2 . . . . . 109 LEU HD21 . 50469 1 1311 . 1 . 1 109 109 LEU HD22 H 1 0.4110 0.0000 . 2 . . . . . 109 LEU HD21 . 50469 1 1312 . 1 . 1 109 109 LEU HD23 H 1 0.4110 0.0000 . 2 . . . . . 109 LEU HD21 . 50469 1 1313 . 1 . 1 109 109 LEU C C 13 181.9560 0.0000 . 1 . . . . . 109 LEU C . 50469 1 1314 . 1 . 1 109 109 LEU CA C 13 56.0110 0.0000 . 1 . . . . . 109 LEU CA . 50469 1 1315 . 1 . 1 109 109 LEU CB C 13 43.0790 0.0000 . 1 . . . . . 109 LEU CB . 50469 1 1316 . 1 . 1 109 109 LEU CG C 13 25.6200 0.0000 . 1 . . . . . 109 LEU CG . 50469 1 1317 . 1 . 1 109 109 LEU CD1 C 13 26.1400 0.0000 . 2 . . . . . 109 LEU CD1 . 50469 1 1318 . 1 . 1 109 109 LEU CD2 C 13 21.4700 0.0000 . 2 . . . . . 109 LEU CD2 . 50469 1 1319 . 1 . 1 109 109 LEU N N 15 126.9490 0.0000 . 1 . . . . . 109 LEU N . 50469 1 stop_ save_