data_25380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25380 _Entry.Title ; Solution structure of HP0268 from Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-05 _Entry.Accession_date 2014-12-05 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ki-Young Lee . . . 25380 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25380 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SMR domain-like' . 25380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 25380 '15N chemical shifts' 80 25380 '1H chemical shifts' 459 25380 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-07 . original BMRB . 25380 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MX0 'BMRB Entry Tracking System' 25380 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25380 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25916841 _Citation.Full_citation . _Citation.Title ; Structure-based functional identification of Helicobacter pylori HP0268 as a nuclease with both DNA nicking and RNase activities ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 10 _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 5194 _Citation.Page_last 5207 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ki-Young Lee . . . 25380 1 2 Kyu-Yeon Lee . . . 25380 1 3 Ji-Hun Kim . . . 25380 1 4 In-Gyun Lee . . . 25380 1 5 Sung-Hee Lee . . . 25380 1 6 Dae-Won Sim . . . 25380 1 7 Hyung-Sik Won . . . 25380 1 8 Bong-Jin Lee . . . 25380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25380 _Assembly.ID 1 _Assembly.Name 'HP0268 from Helicobacter pylori' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP0268 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMKLVLAKNTRKSDAKSVE LEDLYHEFSEDKRSIFYFAP TNAHKDMLKAVDFFKEKGHT AYLDEVRVSTDEKDFLYELH II ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9700.074 _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 . SER . 25380 1 2 . HIS . 25380 1 3 . MET . 25380 1 4 . LYS . 25380 1 5 . LEU . 25380 1 6 . VAL . 25380 1 7 . LEU . 25380 1 8 . ALA . 25380 1 9 . LYS . 25380 1 10 . ASN . 25380 1 11 . THR . 25380 1 12 . ARG . 25380 1 13 . LYS . 25380 1 14 . SER . 25380 1 15 . ASP . 25380 1 16 . ALA . 25380 1 17 . LYS . 25380 1 18 . SER . 25380 1 19 . VAL . 25380 1 20 . GLU . 25380 1 21 . LEU . 25380 1 22 . GLU . 25380 1 23 . ASP . 25380 1 24 . LEU . 25380 1 25 . TYR . 25380 1 26 . HIS . 25380 1 27 . GLU . 25380 1 28 . PHE . 25380 1 29 . SER . 25380 1 30 . GLU . 25380 1 31 . ASP . 25380 1 32 . LYS . 25380 1 33 . ARG . 25380 1 34 . SER . 25380 1 35 . ILE . 25380 1 36 . PHE . 25380 1 37 . TYR . 25380 1 38 . PHE . 25380 1 39 . ALA . 25380 1 40 . PRO . 25380 1 41 . THR . 25380 1 42 . ASN . 25380 1 43 . ALA . 25380 1 44 . HIS . 25380 1 45 . LYS . 25380 1 46 . ASP . 25380 1 47 . MET . 25380 1 48 . LEU . 25380 1 49 . LYS . 25380 1 50 . ALA . 25380 1 51 . VAL . 25380 1 52 . ASP . 25380 1 53 . PHE . 25380 1 54 . PHE . 25380 1 55 . LYS . 25380 1 56 . GLU . 25380 1 57 . LYS . 25380 1 58 . GLY . 25380 1 59 . HIS . 25380 1 60 . THR . 25380 1 61 . ALA . 25380 1 62 . TYR . 25380 1 63 . LEU . 25380 1 64 . ASP . 25380 1 65 . GLU . 25380 1 66 . VAL . 25380 1 67 . ARG . 25380 1 68 . VAL . 25380 1 69 . SER . 25380 1 70 . THR . 25380 1 71 . ASP . 25380 1 72 . GLU . 25380 1 73 . LYS . 25380 1 74 . ASP . 25380 1 75 . PHE . 25380 1 76 . LEU . 25380 1 77 . TYR . 25380 1 78 . GLU . 25380 1 79 . LEU . 25380 1 80 . HIS . 25380 1 81 . ILE . 25380 1 82 . ILE . 25380 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 . SER 1 1 25380 1 . HIS 2 2 25380 1 . MET 3 3 25380 1 . LYS 4 4 25380 1 . LEU 5 5 25380 1 . VAL 6 6 25380 1 . LEU 7 7 25380 1 . ALA 8 8 25380 1 . LYS 9 9 25380 1 . ASN 10 10 25380 1 . THR 11 11 25380 1 . ARG 12 12 25380 1 . LYS 13 13 25380 1 . SER 14 14 25380 1 . ASP 15 15 25380 1 . ALA 16 16 25380 1 . LYS 17 17 25380 1 . SER 18 18 25380 1 . VAL 19 19 25380 1 . GLU 20 20 25380 1 . LEU 21 21 25380 1 . GLU 22 22 25380 1 . ASP 23 23 25380 1 . LEU 24 24 25380 1 . TYR 25 25 25380 1 . HIS 26 26 25380 1 . GLU 27 27 25380 1 . PHE 28 28 25380 1 . SER 29 29 25380 1 . GLU 30 30 25380 1 . ASP 31 31 25380 1 . LYS 32 32 25380 1 . ARG 33 33 25380 1 . SER 34 34 25380 1 . ILE 35 35 25380 1 . PHE 36 36 25380 1 . TYR 37 37 25380 1 . PHE 38 38 25380 1 . ALA 39 39 25380 1 . PRO 40 40 25380 1 . THR 41 41 25380 1 . ASN 42 42 25380 1 . ALA 43 43 25380 1 . HIS 44 44 25380 1 . LYS 45 45 25380 1 . ASP 46 46 25380 1 . MET 47 47 25380 1 . LEU 48 48 25380 1 . LYS 49 49 25380 1 . ALA 50 50 25380 1 . VAL 51 51 25380 1 . ASP 52 52 25380 1 . PHE 53 53 25380 1 . PHE 54 54 25380 1 . LYS 55 55 25380 1 . GLU 56 56 25380 1 . LYS 57 57 25380 1 . GLY 58 58 25380 1 . HIS 59 59 25380 1 . THR 60 60 25380 1 . ALA 61 61 25380 1 . TYR 62 62 25380 1 . LEU 63 63 25380 1 . ASP 64 64 25380 1 . GLU 65 65 25380 1 . VAL 66 66 25380 1 . ARG 67 67 25380 1 . VAL 68 68 25380 1 . SER 69 69 25380 1 . THR 70 70 25380 1 . ASP 71 71 25380 1 . GLU 72 72 25380 1 . LYS 73 73 25380 1 . ASP 74 74 25380 1 . PHE 75 75 25380 1 . LEU 76 76 25380 1 . TYR 77 77 25380 1 . GLU 78 78 25380 1 . LEU 79 79 25380 1 . HIS 80 80 25380 1 . ILE 81 81 25380 1 . ILE 82 82 25380 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25380 _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 . 210 organism . 'Helicobacter pylori' e-proteobacteria . . Bacteria . Helicobacter pylori . . . . . . . . . . . . . 25380 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25380 _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 . 'recombinant technology' 'Helicobacter pylori' . . . Helicobacter pylori . . . . . . pET28a . . . 25380 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25380 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.8-1 . . mM . . . . 25380 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25380 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25380 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25380 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 25380 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25380 1 pH 6.0 . pH 25380 1 pressure 1 . atm 25380 1 temperature 298 . K 25380 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25380 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25380 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25380 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25380 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 25380 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25380 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144952 . . . . . . . . . 25380 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 25380 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . . . . . 25380 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 2 '3D HNCO' . . . 25380 1 3 '3D HNCACB' . . . 25380 1 4 '3D HBHA(CO)NH' . . . 25380 1 5 '3D CBCA(CO)NH' . . . 25380 1 6 '3D C(CO)NH' . . . 25380 1 7 '3D HCCH-TOCSY' . . . 25380 1 9 '3D 1H-15N NOESY' . . . 25380 1 10 '3D 1H-13C NOESY' . . . 25380 1 11 '3D HN(CA)CO' . . . 25380 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 SER HA H 1 4.2070 . . 1 . . . A 1 SER HA . 25380 1 2 . 1 1 1 1 SER HB2 H 1 1.8560 . . 1 . . . A 1 SER HB2 . 25380 1 3 . 1 1 1 1 SER HB3 H 1 1.8560 . . 1 . . . A 1 SER HB3 . 25380 1 4 . 1 1 1 1 SER C C 13 174.4470 . . 1 . . . A 1 SER C . 25380 1 5 . 1 1 1 1 SER CA C 13 58.5410 . . 1 . . . A 1 SER CA . 25380 1 6 . 1 1 1 1 SER CB C 13 63.8800 . . 1 . . . A 1 SER CB . 25380 1 7 . 1 1 1 1 SER N N 15 122.3770 . . 1 . . . A 1 SER N . 25380 1 8 . 1 1 2 2 HIS H H 1 8.6780 . . 1 . . . A 2 HIS H . 25380 1 9 . 1 1 2 2 HIS HA H 1 4.7350 . . 1 . . . A 2 HIS HA . 25380 1 10 . 1 1 2 2 HIS HB2 H 1 3.0040 . . 1 . . . A 2 HIS HB2 . 25380 1 11 . 1 1 2 2 HIS HB3 H 1 3.0040 . . 1 . . . A 2 HIS HB3 . 25380 1 12 . 1 1 2 2 HIS C C 13 173.8840 . . 1 . . . A 2 HIS C . 25380 1 13 . 1 1 2 2 HIS CA C 13 55.0520 . . 1 . . . A 2 HIS CA . 25380 1 14 . 1 1 2 2 HIS CB C 13 28.6660 . . 1 . . . A 2 HIS CB . 25380 1 15 . 1 1 2 2 HIS CG C 13 130.1800 . . 1 . . . A 2 HIS CG . 25380 1 16 . 1 1 2 2 HIS N N 15 120.4300 . . 1 . . . A 2 HIS N . 25380 1 17 . 1 1 3 3 MET H H 1 8.2400 . . 1 . . . A 3 MET H . 25380 1 18 . 1 1 3 3 MET HA H 1 4.2070 . . 1 . . . A 3 MET HA . 25380 1 19 . 1 1 3 3 MET HB2 H 1 1.8560 . . 1 . . . A 3 MET HB2 . 25380 1 20 . 1 1 3 3 MET HB3 H 1 1.8560 . . 1 . . . A 3 MET HB3 . 25380 1 21 . 1 1 3 3 MET C C 13 174.5840 . . 1 . . . A 3 MET C . 25380 1 22 . 1 1 3 3 MET CA C 13 56.5500 . . 1 . . . A 3 MET CA . 25380 1 23 . 1 1 3 3 MET CB C 13 33.4260 . . 1 . . . A 3 MET CB . 25380 1 24 . 1 1 3 3 MET N N 15 122.3770 . . 1 . . . A 3 MET N . 25380 1 25 . 1 1 4 4 LYS H H 1 8.3510 . . 1 . . . A 4 LYS H . 25380 1 26 . 1 1 4 4 LYS HA H 1 4.8390 . . 1 . . . A 4 LYS HA . 25380 1 27 . 1 1 4 4 LYS HB2 H 1 1.6330 . . 1 . . . A 4 LYS HB2 . 25380 1 28 . 1 1 4 4 LYS HB3 H 1 1.6330 . . 1 . . . A 4 LYS HB3 . 25380 1 29 . 1 1 4 4 LYS HG2 H 1 1.4600 . . 2 . . . A 4 LYS HG2 . 25380 1 30 . 1 1 4 4 LYS HG3 H 1 1.4690 . . 2 . . . A 4 LYS HG3 . 25380 1 31 . 1 1 4 4 LYS HD2 H 1 1.5430 . . 2 . . . A 4 LYS HD2 . 25380 1 32 . 1 1 4 4 LYS HD3 H 1 1.6000 . . 2 . . . A 4 LYS HD3 . 25380 1 33 . 1 1 4 4 LYS C C 13 175.9060 . . 1 . . . A 4 LYS C . 25380 1 34 . 1 1 4 4 LYS CA C 13 54.8000 . . 1 . . . A 4 LYS CA . 25380 1 35 . 1 1 4 4 LYS CB C 13 34.9000 . . 1 . . . A 4 LYS CB . 25380 1 36 . 1 1 4 4 LYS CG C 13 25.1200 . . 1 . . . A 4 LYS CG . 25380 1 37 . 1 1 4 4 LYS CD C 13 28.4900 . . 1 . . . A 4 LYS CD . 25380 1 38 . 1 1 4 4 LYS N N 15 123.5680 . . 1 . . . A 4 LYS N . 25380 1 39 . 1 1 5 5 LEU H H 1 8.2810 . . 1 . . . A 5 LEU H . 25380 1 40 . 1 1 5 5 LEU HA H 1 4.8390 . . 1 . . . A 5 LEU HA . 25380 1 41 . 1 1 5 5 LEU HB2 H 1 1.6330 . . 1 . . . A 5 LEU HB2 . 25380 1 42 . 1 1 5 5 LEU HB3 H 1 1.6330 . . 1 . . . A 5 LEU HB3 . 25380 1 43 . 1 1 5 5 LEU HG H 1 1.4900 . . 1 . . . A 5 LEU HG . 25380 1 44 . 1 1 5 5 LEU HD11 H 1 0.8760 . . 2 . . . A 5 LEU HD11 . 25380 1 45 . 1 1 5 5 LEU HD12 H 1 0.8760 . . 2 . . . A 5 LEU HD12 . 25380 1 46 . 1 1 5 5 LEU HD13 H 1 0.8760 . . 2 . . . A 5 LEU HD13 . 25380 1 47 . 1 1 5 5 LEU HD21 H 1 0.5280 . . 2 . . . A 5 LEU HD21 . 25380 1 48 . 1 1 5 5 LEU HD22 H 1 0.5280 . . 2 . . . A 5 LEU HD22 . 25380 1 49 . 1 1 5 5 LEU HD23 H 1 0.5280 . . 2 . . . A 5 LEU HD23 . 25380 1 50 . 1 1 5 5 LEU C C 13 175.9000 . . 1 . . . A 5 LEU C . 25380 1 51 . 1 1 5 5 LEU CA C 13 53.3500 . . 1 . . . A 5 LEU CA . 25380 1 52 . 1 1 5 5 LEU CB C 13 45.9000 . . 1 . . . A 5 LEU CB . 25380 1 53 . 1 1 5 5 LEU CG C 13 26.8300 . . 1 . . . A 5 LEU CG . 25380 1 54 . 1 1 5 5 LEU CD1 C 13 25.4300 . . 2 . . . A 5 LEU CD1 . 25380 1 55 . 1 1 5 5 LEU CD2 C 13 25.1700 . . 2 . . . A 5 LEU CD2 . 25380 1 56 . 1 1 5 5 LEU N N 15 123.5680 . . 1 . . . A 5 LEU N . 25380 1 57 . 1 1 6 6 VAL H H 1 9.2760 . . 1 . . . A 6 VAL H . 25380 1 58 . 1 1 6 6 VAL HA H 1 4.4260 . . 1 . . . A 6 VAL HA . 25380 1 59 . 1 1 6 6 VAL HB H 1 1.9140 . . 1 . . . A 6 VAL HB . 25380 1 60 . 1 1 6 6 VAL HG11 H 1 0.4690 . . 2 . . . A 6 VAL HG11 . 25380 1 61 . 1 1 6 6 VAL HG12 H 1 0.4690 . . 2 . . . A 6 VAL HG12 . 25380 1 62 . 1 1 6 6 VAL HG13 H 1 0.4690 . . 2 . . . A 6 VAL HG13 . 25380 1 63 . 1 1 6 6 VAL HG21 H 1 0.6990 . . 2 . . . A 6 VAL HG21 . 25380 1 64 . 1 1 6 6 VAL HG22 H 1 0.6990 . . 2 . . . A 6 VAL HG22 . 25380 1 65 . 1 1 6 6 VAL HG23 H 1 0.6990 . . 2 . . . A 6 VAL HG23 . 25380 1 66 . 1 1 6 6 VAL C C 13 178.2000 . . 1 . . . A 6 VAL C . 25380 1 67 . 1 1 6 6 VAL CA C 13 63.2000 . . 1 . . . A 6 VAL CA . 25380 1 68 . 1 1 6 6 VAL CB C 13 33.2000 . . 1 . . . A 6 VAL CB . 25380 1 69 . 1 1 6 6 VAL CG1 C 13 21.8500 . . 2 . . . A 6 VAL CG1 . 25380 1 70 . 1 1 6 6 VAL CG2 C 13 21.5900 . . 2 . . . A 6 VAL CG2 . 25380 1 71 . 1 1 6 6 VAL N N 15 121.5640 . . 1 . . . A 6 VAL N . 25380 1 72 . 1 1 7 7 LEU H H 1 9.2760 . . 1 . . . A 7 LEU H . 25380 1 73 . 1 1 7 7 LEU HA H 1 4.4260 . . 1 . . . A 7 LEU HA . 25380 1 74 . 1 1 7 7 LEU HB2 H 1 1.5150 . . 2 . . . A 7 LEU HB2 . 25380 1 75 . 1 1 7 7 LEU HB3 H 1 1.5230 . . 2 . . . A 7 LEU HB3 . 25380 1 76 . 1 1 7 7 LEU HG H 1 1.5210 . . 1 . . . A 7 LEU HG . 25380 1 77 . 1 1 7 7 LEU HD11 H 1 0.7720 . . 2 . . . A 7 LEU HD11 . 25380 1 78 . 1 1 7 7 LEU HD12 H 1 0.7720 . . 2 . . . A 7 LEU HD12 . 25380 1 79 . 1 1 7 7 LEU HD13 H 1 0.7720 . . 2 . . . A 7 LEU HD13 . 25380 1 80 . 1 1 7 7 LEU CA C 13 63.2000 . . 1 . . . A 7 LEU CA . 25380 1 81 . 1 1 7 7 LEU CB C 13 33.2000 . . 1 . . . A 7 LEU CB . 25380 1 82 . 1 1 7 7 LEU CG C 13 27.0500 . . 1 . . . A 7 LEU CG . 25380 1 83 . 1 1 7 7 LEU CD1 C 13 25.4500 . . 2 . . . A 7 LEU CD1 . 25380 1 84 . 1 1 7 7 LEU N N 15 121.5640 . . 1 . . . A 7 LEU N . 25380 1 85 . 1 1 8 8 ALA C C 13 177.0400 . . 1 . . . A 8 ALA C . 25380 1 86 . 1 1 8 8 ALA CA C 13 51.7010 . . 1 . . . A 8 ALA CA . 25380 1 87 . 1 1 8 8 ALA CB C 13 20.8640 . . 1 . . . A 8 ALA CB . 25380 1 88 . 1 1 9 9 LYS H H 1 8.5450 . . 1 . . . A 9 LYS H . 25380 1 89 . 1 1 9 9 LYS HA H 1 4.1280 . . 1 . . . A 9 LYS HA . 25380 1 90 . 1 1 9 9 LYS HB2 H 1 1.7410 . . 1 . . . A 9 LYS HB2 . 25380 1 91 . 1 1 9 9 LYS HB3 H 1 1.7410 . . 1 . . . A 9 LYS HB3 . 25380 1 92 . 1 1 9 9 LYS HG2 H 1 1.8660 . . 2 . . . A 9 LYS HG2 . 25380 1 93 . 1 1 9 9 LYS HG3 H 1 1.7500 . . 2 . . . A 9 LYS HG3 . 25380 1 94 . 1 1 9 9 LYS HD2 H 1 1.6140 . . 2 . . . A 9 LYS HD2 . 25380 1 95 . 1 1 9 9 LYS HD3 H 1 1.7030 . . 2 . . . A 9 LYS HD3 . 25380 1 96 . 1 1 9 9 LYS C C 13 176.0750 . . 1 . . . A 9 LYS C . 25380 1 97 . 1 1 9 9 LYS CA C 13 56.7610 . . 1 . . . A 9 LYS CA . 25380 1 98 . 1 1 9 9 LYS CB C 13 32.9190 . . 1 . . . A 9 LYS CB . 25380 1 99 . 1 1 9 9 LYS CG C 13 24.6000 . . 1 . . . A 9 LYS CG . 25380 1 100 . 1 1 9 9 LYS CD C 13 28.8000 . . 1 . . . A 9 LYS CD . 25380 1 101 . 1 1 9 9 LYS N N 15 119.8450 . . 1 . . . A 9 LYS N . 25380 1 102 . 1 1 10 10 ASN H H 1 8.5920 . . 1 . . . A 10 ASN H . 25380 1 103 . 1 1 10 10 ASN HA H 1 4.6450 . . 1 . . . A 10 ASN HA . 25380 1 104 . 1 1 10 10 ASN HB2 H 1 2.7680 . . 1 . . . A 10 ASN HB2 . 25380 1 105 . 1 1 10 10 ASN HB3 H 1 2.7680 . . 1 . . . A 10 ASN HB3 . 25380 1 106 . 1 1 10 10 ASN C C 13 175.4430 . . 1 . . . A 10 ASN C . 25380 1 107 . 1 1 10 10 ASN CA C 13 53.6570 . . 1 . . . A 10 ASN CA . 25380 1 108 . 1 1 10 10 ASN CB C 13 38.7770 . . 1 . . . A 10 ASN CB . 25380 1 109 . 1 1 10 10 ASN N N 15 119.2790 . . 1 . . . A 10 ASN N . 25380 1 110 . 1 1 11 11 THR H H 1 8.0580 . . 1 . . . A 11 THR H . 25380 1 111 . 1 1 11 11 THR HA H 1 4.3110 . . 1 . . . A 11 THR HA . 25380 1 112 . 1 1 11 11 THR HB H 1 3.9350 . . 1 . . . A 11 THR HB . 25380 1 113 . 1 1 11 11 THR HG21 H 1 1.2100 . . 1 . . . A 11 THR HG21 . 25380 1 114 . 1 1 11 11 THR HG22 H 1 1.2100 . . 1 . . . A 11 THR HG22 . 25380 1 115 . 1 1 11 11 THR HG23 H 1 1.2100 . . 1 . . . A 11 THR HG23 . 25380 1 116 . 1 1 11 11 THR C C 13 174.6660 . . 1 . . . A 11 THR C . 25380 1 117 . 1 1 11 11 THR CA C 13 62.0440 . . 1 . . . A 11 THR CA . 25380 1 118 . 1 1 11 11 THR CB C 13 69.8950 . . 1 . . . A 11 THR CB . 25380 1 119 . 1 1 11 11 THR CG2 C 13 21.7400 . . 1 . . . A 11 THR CG2 . 25380 1 120 . 1 1 11 11 THR N N 15 111.8760 . . 1 . . . A 11 THR N . 25380 1 121 . 1 1 12 12 ARG H H 1 8.2910 . . 1 . . . A 12 ARG H . 25380 1 122 . 1 1 12 12 ARG HA H 1 4.2620 . . 1 . . . A 12 ARG HA . 25380 1 123 . 1 1 12 12 ARG HB2 H 1 1.8060 . . 1 . . . A 12 ARG HB2 . 25380 1 124 . 1 1 12 12 ARG HB3 H 1 1.8060 . . 1 . . . A 12 ARG HB3 . 25380 1 125 . 1 1 12 12 ARG HG2 H 1 1.5340 . . 2 . . . A 12 ARG HG2 . 25380 1 126 . 1 1 12 12 ARG HG3 H 1 1.6430 . . 2 . . . A 12 ARG HG3 . 25380 1 127 . 1 1 12 12 ARG C C 13 176.7140 . . 1 . . . A 12 ARG C . 25380 1 128 . 1 1 12 12 ARG CA C 13 56.8220 . . 1 . . . A 12 ARG CA . 25380 1 129 . 1 1 12 12 ARG CB C 13 30.7020 . . 1 . . . A 12 ARG CB . 25380 1 130 . 1 1 12 12 ARG CG C 13 27.1800 . . 1 . . . A 12 ARG CG . 25380 1 131 . 1 1 12 12 ARG N N 15 121.1520 . . 1 . . . A 12 ARG N . 25380 1 132 . 1 1 13 13 LYS H H 1 8.2860 . . 1 . . . A 13 LYS H . 25380 1 133 . 1 1 13 13 LYS HA H 1 3.8960 . . 1 . . . A 13 LYS HA . 25380 1 134 . 1 1 13 13 LYS HB2 H 1 1.1780 . . 2 . . . A 13 LYS HB2 . 25380 1 135 . 1 1 13 13 LYS HB3 H 1 1.9300 . . 2 . . . A 13 LYS HB3 . 25380 1 136 . 1 1 13 13 LYS HG2 H 1 1.4600 . . 2 . . . A 13 LYS HG2 . 25380 1 137 . 1 1 13 13 LYS HG3 H 1 1.4600 . . 2 . . . A 13 LYS HG3 . 25380 1 138 . 1 1 13 13 LYS HD2 H 1 1.7100 . . 2 . . . A 13 LYS HD2 . 25380 1 139 . 1 1 13 13 LYS HD3 H 1 1.7100 . . 2 . . . A 13 LYS HD3 . 25380 1 140 . 1 1 13 13 LYS C C 13 176.6820 . . 1 . . . A 13 LYS C . 25380 1 141 . 1 1 13 13 LYS CA C 13 56.9780 . . 1 . . . A 13 LYS CA . 25380 1 142 . 1 1 13 13 LYS CB C 13 32.4980 . . 1 . . . A 13 LYS CB . 25380 1 143 . 1 1 13 13 LYS CG C 13 24.9400 . . 1 . . . A 13 LYS CG . 25380 1 144 . 1 1 13 13 LYS CD C 13 29.1700 . . 1 . . . A 13 LYS CD . 25380 1 145 . 1 1 13 13 LYS N N 15 120.4590 . . 1 . . . A 13 LYS N . 25380 1 146 . 1 1 14 14 SER H H 1 7.9570 . . 1 . . . A 14 SER H . 25380 1 147 . 1 1 14 14 SER HA H 1 4.3710 . . 1 . . . A 14 SER HA . 25380 1 148 . 1 1 14 14 SER HB2 H 1 3.8750 . . 1 . . . A 14 SER HB2 . 25380 1 149 . 1 1 14 14 SER HB3 H 1 3.8750 . . 1 . . . A 14 SER HB3 . 25380 1 150 . 1 1 14 14 SER C C 13 173.9900 . . 1 . . . A 14 SER C . 25380 1 151 . 1 1 14 14 SER CA C 13 58.6170 . . 1 . . . A 14 SER CA . 25380 1 152 . 1 1 14 14 SER CB C 13 63.9330 . . 1 . . . A 14 SER CB . 25380 1 153 . 1 1 14 14 SER N N 15 114.5680 . . 1 . . . A 14 SER N . 25380 1 154 . 1 1 15 15 ASP H H 1 8.1660 . . 1 . . . A 15 ASP H . 25380 1 155 . 1 1 15 15 ASP HA H 1 4.6010 . . 1 . . . A 15 ASP HA . 25380 1 156 . 1 1 15 15 ASP HB2 H 1 2.6210 . . 1 . . . A 15 ASP HB2 . 25380 1 157 . 1 1 15 15 ASP HB3 H 1 2.6210 . . 1 . . . A 15 ASP HB3 . 25380 1 158 . 1 1 15 15 ASP C C 13 175.6840 . . 1 . . . A 15 ASP C . 25380 1 159 . 1 1 15 15 ASP CA C 13 54.1490 . . 1 . . . A 15 ASP CA . 25380 1 160 . 1 1 15 15 ASP CB C 13 41.2290 . . 1 . . . A 15 ASP CB . 25380 1 161 . 1 1 15 15 ASP N N 15 121.5650 . . 1 . . . A 15 ASP N . 25380 1 162 . 1 1 16 16 ALA H H 1 8.1630 . . 1 . . . A 16 ALA H . 25380 1 163 . 1 1 16 16 ALA HA H 1 4.3710 . . 1 . . . A 16 ALA HA . 25380 1 164 . 1 1 16 16 ALA HB1 H 1 1.3630 . . 1 . . . A 16 ALA HB1 . 25380 1 165 . 1 1 16 16 ALA HB2 H 1 1.3630 . . 1 . . . A 16 ALA HB2 . 25380 1 166 . 1 1 16 16 ALA HB3 H 1 1.3630 . . 1 . . . A 16 ALA HB3 . 25380 1 167 . 1 1 16 16 ALA C C 13 177.1840 . . 1 . . . A 16 ALA C . 25380 1 168 . 1 1 16 16 ALA CA C 13 52.3370 . . 1 . . . A 16 ALA CA . 25380 1 169 . 1 1 16 16 ALA CB C 13 19.3590 . . 1 . . . A 16 ALA CB . 25380 1 170 . 1 1 16 16 ALA N N 15 124.1730 . . 1 . . . A 16 ALA N . 25380 1 171 . 1 1 17 17 LYS H H 1 8.3630 . . 1 . . . A 17 LYS H . 25380 1 172 . 1 1 17 17 LYS HA H 1 4.4260 . . 1 . . . A 17 LYS HA . 25380 1 173 . 1 1 17 17 LYS HB2 H 1 1.8010 . . 1 . . . A 17 LYS HB2 . 25380 1 174 . 1 1 17 17 LYS HB3 H 1 1.8010 . . 1 . . . A 17 LYS HB3 . 25380 1 175 . 1 1 17 17 LYS HG2 H 1 1.6900 . . 2 . . . A 17 LYS HG2 . 25380 1 176 . 1 1 17 17 LYS HG3 H 1 1.6900 . . 2 . . . A 17 LYS HG3 . 25380 1 177 . 1 1 17 17 LYS HD2 H 1 1.6500 . . 2 . . . A 17 LYS HD2 . 25380 1 178 . 1 1 17 17 LYS C C 13 175.4880 . . 1 . . . A 17 LYS C . 25380 1 179 . 1 1 17 17 LYS CA C 13 56.2050 . . 1 . . . A 17 LYS CA . 25380 1 180 . 1 1 17 17 LYS CB C 13 34.2960 . . 1 . . . A 17 LYS CB . 25380 1 181 . 1 1 17 17 LYS CG C 13 29.2100 . . 1 . . . A 17 LYS CG . 25380 1 182 . 1 1 17 17 LYS CD C 13 29.2130 . . 1 . . . A 17 LYS CD . 25380 1 183 . 1 1 17 17 LYS N N 15 121.1520 . . 1 . . . A 17 LYS N . 25380 1 184 . 1 1 18 18 SER H H 1 8.2060 . . 1 . . . A 18 SER H . 25380 1 185 . 1 1 18 18 SER HA H 1 5.3550 . . 1 . . . A 18 SER HA . 25380 1 186 . 1 1 18 18 SER HB2 H 1 3.6720 . . 1 . . . A 18 SER HB2 . 25380 1 187 . 1 1 18 18 SER HB3 H 1 3.6720 . . 1 . . . A 18 SER HB3 . 25380 1 188 . 1 1 18 18 SER C C 13 173.8870 . . 1 . . . A 18 SER C . 25380 1 189 . 1 1 18 18 SER CA C 13 57.2480 . . 1 . . . A 18 SER CA . 25380 1 190 . 1 1 18 18 SER CB C 13 64.9620 . . 1 . . . A 18 SER CB . 25380 1 191 . 1 1 18 18 SER N N 15 116.4480 . . 1 . . . A 18 SER N . 25380 1 192 . 1 1 19 19 VAL H H 1 9.0860 . . 1 . . . A 19 VAL H . 25380 1 193 . 1 1 19 19 VAL HA H 1 3.6200 . . 1 . . . A 19 VAL HA . 25380 1 194 . 1 1 19 19 VAL HB H 1 2.2960 . . 1 . . . A 19 VAL HB . 25380 1 195 . 1 1 19 19 VAL HG21 H 1 0.7500 . . 2 . . . A 19 VAL HG21 . 25380 1 196 . 1 1 19 19 VAL HG22 H 1 0.7500 . . 2 . . . A 19 VAL HG22 . 25380 1 197 . 1 1 19 19 VAL HG23 H 1 0.7500 . . 2 . . . A 19 VAL HG23 . 25380 1 198 . 1 1 19 19 VAL C C 13 174.1690 . . 1 . . . A 19 VAL C . 25380 1 199 . 1 1 19 19 VAL CA C 13 59.5460 . . 1 . . . A 19 VAL CA . 25380 1 200 . 1 1 19 19 VAL CB C 13 35.9020 . . 1 . . . A 19 VAL CB . 25380 1 201 . 1 1 19 19 VAL CG2 C 13 21.9900 . . 2 . . . A 19 VAL CG2 . 25380 1 202 . 1 1 19 19 VAL N N 15 117.8670 . . 1 . . . A 19 VAL N . 25380 1 203 . 1 1 20 20 GLU H H 1 8.8410 . . 1 . . . A 20 GLU H . 25380 1 204 . 1 1 20 20 GLU HA H 1 4.8680 . . 1 . . . A 20 GLU HA . 25380 1 205 . 1 1 20 20 GLU HB2 H 1 1.8050 . . 1 . . . A 20 GLU HB2 . 25380 1 206 . 1 1 20 20 GLU HB3 H 1 1.8050 . . 1 . . . A 20 GLU HB3 . 25380 1 207 . 1 1 20 20 GLU HG2 H 1 2.1180 . . 2 . . . A 20 GLU HG2 . 25380 1 208 . 1 1 20 20 GLU HG3 H 1 2.1180 . . 2 . . . A 20 GLU HG3 . 25380 1 209 . 1 1 20 20 GLU C C 13 178.7470 . . 1 . . . A 20 GLU C . 25380 1 210 . 1 1 20 20 GLU CA C 13 54.5520 . . 1 . . . A 20 GLU CA . 25380 1 211 . 1 1 20 20 GLU CB C 13 31.0990 . . 1 . . . A 20 GLU CB . 25380 1 212 . 1 1 20 20 GLU CG C 13 35.8400 . . 1 . . . A 20 GLU CG . 25380 1 213 . 1 1 20 20 GLU N N 15 120.8430 . . 1 . . . A 20 GLU N . 25380 1 214 . 1 1 21 21 LEU H H 1 8.7440 . . 1 . . . A 21 LEU H . 25380 1 215 . 1 1 21 21 LEU HA H 1 3.4430 . . 1 . . . A 21 LEU HA . 25380 1 216 . 1 1 21 21 LEU HB2 H 1 1.6200 . . 2 . . . A 21 LEU HB2 . 25380 1 217 . 1 1 21 21 LEU HB3 H 1 1.5500 . . 2 . . . A 21 LEU HB3 . 25380 1 218 . 1 1 21 21 LEU HG H 1 1.3410 . . 1 . . . A 21 LEU HG . 25380 1 219 . 1 1 21 21 LEU HD11 H 1 0.5640 . . 2 . . . A 21 LEU HD11 . 25380 1 220 . 1 1 21 21 LEU HD12 H 1 0.5640 . . 2 . . . A 21 LEU HD12 . 25380 1 221 . 1 1 21 21 LEU HD13 H 1 0.5640 . . 2 . . . A 21 LEU HD13 . 25380 1 222 . 1 1 21 21 LEU HD21 H 1 0.5100 . . 2 . . . A 21 LEU HD21 . 25380 1 223 . 1 1 21 21 LEU HD22 H 1 0.5100 . . 2 . . . A 21 LEU HD22 . 25380 1 224 . 1 1 21 21 LEU HD23 H 1 0.5100 . . 2 . . . A 21 LEU HD23 . 25380 1 225 . 1 1 21 21 LEU C C 13 178.7990 . . 1 . . . A 21 LEU C . 25380 1 226 . 1 1 21 21 LEU CA C 13 58.7070 . . 1 . . . A 21 LEU CA . 25380 1 227 . 1 1 21 21 LEU CB C 13 38.5710 . . 1 . . . A 21 LEU CB . 25380 1 228 . 1 1 21 21 LEU CG C 13 26.6820 . . 1 . . . A 21 LEU CG . 25380 1 229 . 1 1 21 21 LEU CD1 C 13 24.8500 . . 2 . . . A 21 LEU CD1 . 25380 1 230 . 1 1 21 21 LEU CD2 C 13 23.3200 . . 2 . . . A 21 LEU CD2 . 25380 1 231 . 1 1 21 21 LEU N N 15 122.6530 . . 1 . . . A 21 LEU N . 25380 1 232 . 1 1 22 22 GLU H H 1 8.7440 . . 1 . . . A 22 GLU H . 25380 1 233 . 1 1 22 22 GLU HA H 1 3.9890 . . 1 . . . A 22 GLU HA . 25380 1 234 . 1 1 22 22 GLU HB2 H 1 2.0530 . . 2 . . . A 22 GLU HB2 . 25380 1 235 . 1 1 22 22 GLU HB3 H 1 2.0110 . . 2 . . . A 22 GLU HB3 . 25380 1 236 . 1 1 22 22 GLU HG2 H 1 2.1600 . . 2 . . . A 22 GLU HG2 . 25380 1 237 . 1 1 22 22 GLU HG3 H 1 2.1600 . . 2 . . . A 22 GLU HG3 . 25380 1 238 . 1 1 22 22 GLU C C 13 179.3280 . . 1 . . . A 22 GLU C . 25380 1 239 . 1 1 22 22 GLU CA C 13 60.0800 . . 1 . . . A 22 GLU CA . 25380 1 240 . 1 1 22 22 GLU CB C 13 28.8340 . . 1 . . . A 22 GLU CB . 25380 1 241 . 1 1 22 22 GLU CG C 13 36.4500 . . 1 . . . A 22 GLU CG . 25380 1 242 . 1 1 22 22 GLU N N 15 115.3920 . . 1 . . . A 22 GLU N . 25380 1 243 . 1 1 23 23 ASP H H 1 7.0980 . . 1 . . . A 23 ASP H . 25380 1 244 . 1 1 23 23 ASP HA H 1 4.6110 . . 1 . . . A 23 ASP HA . 25380 1 245 . 1 1 23 23 ASP HB2 H 1 3.0250 . . 1 . . . A 23 ASP HB2 . 25380 1 246 . 1 1 23 23 ASP HB3 H 1 3.0250 . . 1 . . . A 23 ASP HB3 . 25380 1 247 . 1 1 23 23 ASP C C 13 179.1390 . . 1 . . . A 23 ASP C . 25380 1 248 . 1 1 23 23 ASP CA C 13 57.5190 . . 1 . . . A 23 ASP CA . 25380 1 249 . 1 1 23 23 ASP CB C 13 40.4420 . . 1 . . . A 23 ASP CB . 25380 1 250 . 1 1 23 23 ASP N N 15 118.5970 . . 1 . . . A 23 ASP N . 25380 1 251 . 1 1 24 24 LEU H H 1 7.5760 . . 1 . . . A 24 LEU H . 25380 1 252 . 1 1 24 24 LEU HA H 1 3.9340 . . 1 . . . A 24 LEU HA . 25380 1 253 . 1 1 24 24 LEU HB2 H 1 2.0200 . . 1 . . . A 24 LEU HB2 . 25380 1 254 . 1 1 24 24 LEU HB3 H 1 2.0200 . . 1 . . . A 24 LEU HB3 . 25380 1 255 . 1 1 24 24 LEU HD11 H 1 0.8550 . . 2 . . . A 24 LEU HD11 . 25380 1 256 . 1 1 24 24 LEU HD12 H 1 0.8550 . . 2 . . . A 24 LEU HD12 . 25380 1 257 . 1 1 24 24 LEU HD13 H 1 0.8550 . . 2 . . . A 24 LEU HD13 . 25380 1 258 . 1 1 24 24 LEU C C 13 179.0450 . . 1 . . . A 24 LEU C . 25380 1 259 . 1 1 24 24 LEU CA C 13 57.5490 . . 1 . . . A 24 LEU CA . 25380 1 260 . 1 1 24 24 LEU CB C 13 41.5500 . . 1 . . . A 24 LEU CB . 25380 1 261 . 1 1 24 24 LEU CD1 C 13 24.6480 . . 2 . . . A 24 LEU CD1 . 25380 1 262 . 1 1 24 24 LEU N N 15 119.8690 . . 1 . . . A 24 LEU N . 25380 1 263 . 1 1 25 25 TYR H H 1 8.3200 . . 1 . . . A 25 TYR H . 25380 1 264 . 1 1 25 25 TYR HA H 1 4.3670 . . 1 . . . A 25 TYR HA . 25380 1 265 . 1 1 25 25 TYR HB2 H 1 3.2270 . . 1 . . . A 25 TYR HB2 . 25380 1 266 . 1 1 25 25 TYR HB3 H 1 3.2270 . . 1 . . . A 25 TYR HB3 . 25380 1 267 . 1 1 25 25 TYR HD2 H 1 6.9800 . . 3 . . . A 25 TYR HD2 . 25380 1 268 . 1 1 25 25 TYR HE2 H 1 6.6100 . . 3 . . . A 25 TYR HE2 . 25380 1 269 . 1 1 25 25 TYR C C 13 177.9450 . . 1 . . . A 25 TYR C . 25380 1 270 . 1 1 25 25 TYR CA C 13 62.6060 . . 1 . . . A 25 TYR CA . 25380 1 271 . 1 1 25 25 TYR CB C 13 37.9480 . . 1 . . . A 25 TYR CB . 25380 1 272 . 1 1 25 25 TYR CG C 13 130.8900 . . 1 . . . A 25 TYR CG . 25380 1 273 . 1 1 25 25 TYR CD2 C 13 132.9600 . . 2 . . . A 25 TYR CD2 . 25380 1 274 . 1 1 25 25 TYR CE2 C 13 117.7700 . . 2 . . . A 25 TYR CE2 . 25380 1 275 . 1 1 25 25 TYR N N 15 118.1000 . . 1 . . . A 25 TYR N . 25380 1 276 . 1 1 26 26 HIS H H 1 8.3830 . . 1 . . . A 26 HIS H . 25380 1 277 . 1 1 26 26 HIS HA H 1 4.3710 . . 1 . . . A 26 HIS HA . 25380 1 278 . 1 1 26 26 HIS HB2 H 1 3.5510 . . 1 . . . A 26 HIS HB2 . 25380 1 279 . 1 1 26 26 HIS HB3 H 1 3.5510 . . 1 . . . A 26 HIS HB3 . 25380 1 280 . 1 1 26 26 HIS HD2 H 1 7.0420 . . 1 . . . A 26 HIS HD2 . 25380 1 281 . 1 1 26 26 HIS C C 13 176.5590 . . 1 . . . A 26 HIS C . 25380 1 282 . 1 1 26 26 HIS CA C 13 59.5190 . . 1 . . . A 26 HIS CA . 25380 1 283 . 1 1 26 26 HIS CB C 13 28.1280 . . 1 . . . A 26 HIS CB . 25380 1 284 . 1 1 26 26 HIS CG C 13 132.1300 . . 1 . . . A 26 HIS CG . 25380 1 285 . 1 1 26 26 HIS CD2 C 13 120.1200 . . 1 . . . A 26 HIS CD2 . 25380 1 286 . 1 1 26 26 HIS N N 15 119.4400 . . 1 . . . A 26 HIS N . 25380 1 287 . 1 1 27 27 GLU H H 1 8.2880 . . 1 . . . A 27 GLU H . 25380 1 288 . 1 1 27 27 GLU HA H 1 4.2580 . . 1 . . . A 27 GLU HA . 25380 1 289 . 1 1 27 27 GLU HB2 H 1 2.5030 . . 1 . . . A 27 GLU HB2 . 25380 1 290 . 1 1 27 27 GLU HB3 H 1 2.5030 . . 1 . . . A 27 GLU HB3 . 25380 1 291 . 1 1 27 27 GLU HG2 H 1 2.3100 . . 2 . . . A 27 GLU HG2 . 25380 1 292 . 1 1 27 27 GLU HG3 H 1 2.3100 . . 2 . . . A 27 GLU HG3 . 25380 1 293 . 1 1 27 27 GLU C C 13 179.1630 . . 1 . . . A 27 GLU C . 25380 1 294 . 1 1 27 27 GLU CA C 13 60.0750 . . 1 . . . A 27 GLU CA . 25380 1 295 . 1 1 27 27 GLU CB C 13 29.5350 . . 1 . . . A 27 GLU CB . 25380 1 296 . 1 1 27 27 GLU CG C 13 35.9950 . . 1 . . . A 27 GLU CG . 25380 1 297 . 1 1 27 27 GLU N N 15 119.9150 . . 1 . . . A 27 GLU N . 25380 1 298 . 1 1 28 28 PHE H H 1 8.5680 . . 1 . . . A 28 PHE H . 25380 1 299 . 1 1 28 28 PHE HA H 1 4.9720 . . 1 . . . A 28 PHE HA . 25380 1 300 . 1 1 28 28 PHE HB2 H 1 3.1350 . . 1 . . . A 28 PHE HB2 . 25380 1 301 . 1 1 28 28 PHE HB3 H 1 3.1350 . . 1 . . . A 28 PHE HB3 . 25380 1 302 . 1 1 28 28 PHE HD2 H 1 7.2600 . . 3 . . . A 28 PHE HD2 . 25380 1 303 . 1 1 28 28 PHE HE2 H 1 7.1900 . . 3 . . . A 28 PHE HE2 . 25380 1 304 . 1 1 28 28 PHE C C 13 177.3860 . . 1 . . . A 28 PHE C . 25380 1 305 . 1 1 28 28 PHE CA C 13 60.4010 . . 1 . . . A 28 PHE CA . 25380 1 306 . 1 1 28 28 PHE CB C 13 39.5680 . . 1 . . . A 28 PHE CB . 25380 1 307 . 1 1 28 28 PHE CD2 C 13 131.8490 . . 2 . . . A 28 PHE CD2 . 25380 1 308 . 1 1 28 28 PHE CE2 C 13 131.1220 . . 2 . . . A 28 PHE CE2 . 25380 1 309 . 1 1 28 28 PHE N N 15 120.5000 . . 1 . . . A 28 PHE N . 25380 1 310 . 1 1 29 29 SER H H 1 8.4790 . . 1 . . . A 29 SER H . 25380 1 311 . 1 1 29 29 SER HA H 1 4.2880 . . 1 . . . A 29 SER HA . 25380 1 312 . 1 1 29 29 SER HB2 H 1 3.5500 . . 1 . . . A 29 SER HB2 . 25380 1 313 . 1 1 29 29 SER HB3 H 1 3.5500 . . 1 . . . A 29 SER HB3 . 25380 1 314 . 1 1 29 29 SER C C 13 175.6560 . . 1 . . . A 29 SER C . 25380 1 315 . 1 1 29 29 SER CA C 13 61.0580 . . 1 . . . A 29 SER CA . 25380 1 316 . 1 1 29 29 SER CB C 13 63.5550 . . 1 . . . A 29 SER CB . 25380 1 317 . 1 1 29 29 SER N N 15 114.3060 . . 1 . . . A 29 SER N . 25380 1 318 . 1 1 30 30 GLU H H 1 8.4280 . . 1 . . . A 30 GLU H . 25380 1 319 . 1 1 30 30 GLU HA H 1 4.0920 . . 1 . . . A 30 GLU HA . 25380 1 320 . 1 1 30 30 GLU HB2 H 1 2.0800 . . 2 . . . A 30 GLU HB2 . 25380 1 321 . 1 1 30 30 GLU HB3 H 1 2.0680 . . 2 . . . A 30 GLU HB3 . 25380 1 322 . 1 1 30 30 GLU C C 13 177.3120 . . 1 . . . A 30 GLU C . 25380 1 323 . 1 1 30 30 GLU CA C 13 57.5800 . . 1 . . . A 30 GLU CA . 25380 1 324 . 1 1 30 30 GLU CB C 13 29.5770 . . 1 . . . A 30 GLU CB . 25380 1 325 . 1 1 30 30 GLU N N 15 118.3220 . . 1 . . . A 30 GLU N . 25380 1 326 . 1 1 31 31 ASP H H 1 7.3030 . . 1 . . . A 31 ASP H . 25380 1 327 . 1 1 31 31 ASP HA H 1 4.8100 . . 1 . . . A 31 ASP HA . 25380 1 328 . 1 1 31 31 ASP HB2 H 1 2.9500 . . 1 . . . A 31 ASP HB2 . 25380 1 329 . 1 1 31 31 ASP HB3 H 1 2.9500 . . 1 . . . A 31 ASP HB3 . 25380 1 330 . 1 1 31 31 ASP C C 13 175.7230 . . 1 . . . A 31 ASP C . 25380 1 331 . 1 1 31 31 ASP CA C 13 53.9740 . . 1 . . . A 31 ASP CA . 25380 1 332 . 1 1 31 31 ASP CB C 13 40.8180 . . 1 . . . A 31 ASP CB . 25380 1 333 . 1 1 31 31 ASP N N 15 115.6300 . . 1 . . . A 31 ASP N . 25380 1 334 . 1 1 32 32 LYS H H 1 7.1480 . . 1 . . . A 32 LYS H . 25380 1 335 . 1 1 32 32 LYS HA H 1 3.8270 . . 1 . . . A 32 LYS HA . 25380 1 336 . 1 1 32 32 LYS HB2 H 1 1.9100 . . 1 . . . A 32 LYS HB2 . 25380 1 337 . 1 1 32 32 LYS HB3 H 1 1.9100 . . 1 . . . A 32 LYS HB3 . 25380 1 338 . 1 1 32 32 LYS HD2 H 1 1.4300 . . 2 . . . A 32 LYS HD2 . 25380 1 339 . 1 1 32 32 LYS HD3 H 1 1.4300 . . 2 . . . A 32 LYS HD3 . 25380 1 340 . 1 1 32 32 LYS C C 13 175.7160 . . 1 . . . A 32 LYS C . 25380 1 341 . 1 1 32 32 LYS CA C 13 56.1620 . . 1 . . . A 32 LYS CA . 25380 1 342 . 1 1 32 32 LYS CB C 13 28.3810 . . 1 . . . A 32 LYS CB . 25380 1 343 . 1 1 32 32 LYS CD C 13 29.2300 . . 1 . . . A 32 LYS CD . 25380 1 344 . 1 1 32 32 LYS N N 15 114.3570 . . 1 . . . A 32 LYS N . 25380 1 345 . 1 1 33 33 ARG H H 1 7.3880 . . 1 . . . A 33 ARG H . 25380 1 346 . 1 1 33 33 ARG HA H 1 4.2010 . . 1 . . . A 33 ARG HA . 25380 1 347 . 1 1 33 33 ARG HB2 H 1 1.4700 . . 1 . . . A 33 ARG HB2 . 25380 1 348 . 1 1 33 33 ARG HB3 H 1 1.4700 . . 1 . . . A 33 ARG HB3 . 25380 1 349 . 1 1 33 33 ARG HG2 H 1 1.5100 . . 2 . . . A 33 ARG HG2 . 25380 1 350 . 1 1 33 33 ARG HG3 H 1 1.5100 . . 2 . . . A 33 ARG HG3 . 25380 1 351 . 1 1 33 33 ARG C C 13 173.9820 . . 1 . . . A 33 ARG C . 25380 1 352 . 1 1 33 33 ARG CA C 13 56.1940 . . 1 . . . A 33 ARG CA . 25380 1 353 . 1 1 33 33 ARG CB C 13 30.6420 . . 1 . . . A 33 ARG CB . 25380 1 354 . 1 1 33 33 ARG CG C 13 26.8090 . . 1 . . . A 33 ARG CG . 25380 1 355 . 1 1 33 33 ARG N N 15 120.9290 . . 1 . . . A 33 ARG N . 25380 1 356 . 1 1 34 34 SER H H 1 8.1730 . . 1 . . . A 34 SER H . 25380 1 357 . 1 1 34 34 SER HA H 1 5.3550 . . 1 . . . A 34 SER HA . 25380 1 358 . 1 1 34 34 SER HB2 H 1 3.6720 . . 1 . . . A 34 SER HB2 . 25380 1 359 . 1 1 34 34 SER HB3 H 1 3.6720 . . 1 . . . A 34 SER HB3 . 25380 1 360 . 1 1 34 34 SER C C 13 172.7540 . . 1 . . . A 34 SER C . 25380 1 361 . 1 1 34 34 SER CA C 13 58.2360 . . 1 . . . A 34 SER CA . 25380 1 362 . 1 1 34 34 SER CB C 13 65.2120 . . 1 . . . A 34 SER CB . 25380 1 363 . 1 1 34 34 SER N N 15 115.8670 . . 1 . . . A 34 SER N . 25380 1 364 . 1 1 35 35 ILE H H 1 6.7790 . . 1 . . . A 35 ILE H . 25380 1 365 . 1 1 35 35 ILE HA H 1 4.8630 . . 1 . . . A 35 ILE HA . 25380 1 366 . 1 1 35 35 ILE HB H 1 1.2620 . . 1 . . . A 35 ILE HB . 25380 1 367 . 1 1 35 35 ILE HG13 H 1 1.2800 . . 2 . . . A 35 ILE HG13 . 25380 1 368 . 1 1 35 35 ILE HG21 H 1 0.7680 . . 1 . . . A 35 ILE HG21 . 25380 1 369 . 1 1 35 35 ILE HG22 H 1 0.7680 . . 1 . . . A 35 ILE HG22 . 25380 1 370 . 1 1 35 35 ILE HG23 H 1 0.7680 . . 1 . . . A 35 ILE HG23 . 25380 1 371 . 1 1 35 35 ILE HD11 H 1 0.8500 . . 1 . . . A 35 ILE HD11 . 25380 1 372 . 1 1 35 35 ILE HD12 H 1 0.8500 . . 1 . . . A 35 ILE HD12 . 25380 1 373 . 1 1 35 35 ILE HD13 H 1 0.8500 . . 1 . . . A 35 ILE HD13 . 25380 1 374 . 1 1 35 35 ILE C C 13 174.0690 . . 1 . . . A 35 ILE C . 25380 1 375 . 1 1 35 35 ILE CA C 13 59.9560 . . 1 . . . A 35 ILE CA . 25380 1 376 . 1 1 35 35 ILE CB C 13 40.6550 . . 1 . . . A 35 ILE CB . 25380 1 377 . 1 1 35 35 ILE CG1 C 13 25.8700 . . 1 . . . A 35 ILE CG1 . 25380 1 378 . 1 1 35 35 ILE CG2 C 13 15.8200 . . 1 . . . A 35 ILE CG2 . 25380 1 379 . 1 1 35 35 ILE CD1 C 13 15.8700 . . 1 . . . A 35 ILE CD1 . 25380 1 380 . 1 1 35 35 ILE N N 15 119.6210 . . 1 . . . A 35 ILE N . 25380 1 381 . 1 1 36 36 PHE H H 1 8.4110 . . 1 . . . A 36 PHE H . 25380 1 382 . 1 1 36 36 PHE HA H 1 4.4530 . . 1 . . . A 36 PHE HA . 25380 1 383 . 1 1 36 36 PHE HB2 H 1 2.5150 . . 1 . . . A 36 PHE HB2 . 25380 1 384 . 1 1 36 36 PHE HB3 H 1 2.5150 . . 1 . . . A 36 PHE HB3 . 25380 1 385 . 1 1 36 36 PHE HD2 H 1 7.2140 . . 3 . . . A 36 PHE HD2 . 25380 1 386 . 1 1 36 36 PHE HE2 H 1 7.0100 . . 3 . . . A 36 PHE HE2 . 25380 1 387 . 1 1 36 36 PHE C C 13 173.2040 . . 1 . . . A 36 PHE C . 25380 1 388 . 1 1 36 36 PHE CA C 13 56.4160 . . 1 . . . A 36 PHE CA . 25380 1 389 . 1 1 36 36 PHE CB C 13 44.8170 . . 1 . . . A 36 PHE CB . 25380 1 390 . 1 1 36 36 PHE CD2 C 13 132.1100 . . 2 . . . A 36 PHE CD2 . 25380 1 391 . 1 1 36 36 PHE CE2 C 13 131.0560 . . 2 . . . A 36 PHE CE2 . 25380 1 392 . 1 1 36 36 PHE N N 15 124.3050 . . 1 . . . A 36 PHE N . 25380 1 393 . 1 1 37 37 TYR H H 1 8.3530 . . 1 . . . A 37 TYR H . 25380 1 394 . 1 1 37 37 TYR HA H 1 5.5700 . . 1 . . . A 37 TYR HA . 25380 1 395 . 1 1 37 37 TYR HB2 H 1 2.7810 . . 1 . . . A 37 TYR HB2 . 25380 1 396 . 1 1 37 37 TYR HB3 H 1 2.7810 . . 1 . . . A 37 TYR HB3 . 25380 1 397 . 1 1 37 37 TYR HD2 H 1 6.8670 . . 3 . . . A 37 TYR HD2 . 25380 1 398 . 1 1 37 37 TYR C C 13 175.4550 . . 1 . . . A 37 TYR C . 25380 1 399 . 1 1 37 37 TYR CA C 13 56.5180 . . 1 . . . A 37 TYR CA . 25380 1 400 . 1 1 37 37 TYR CB C 13 40.9910 . . 1 . . . A 37 TYR CB . 25380 1 401 . 1 1 37 37 TYR CG C 13 129.6500 . . 1 . . . A 37 TYR CG . 25380 1 402 . 1 1 37 37 TYR CD2 C 13 132.4400 . . 2 . . . A 37 TYR CD2 . 25380 1 403 . 1 1 37 37 TYR N N 15 118.7430 . . 1 . . . A 37 TYR N . 25380 1 404 . 1 1 38 38 PHE H H 1 9.7560 . . 1 . . . A 38 PHE H . 25380 1 405 . 1 1 38 38 PHE HA H 1 5.1600 . . 1 . . . A 38 PHE HA . 25380 1 406 . 1 1 38 38 PHE HB2 H 1 3.0050 . . 1 . . . A 38 PHE HB2 . 25380 1 407 . 1 1 38 38 PHE HB3 H 1 3.0050 . . 1 . . . A 38 PHE HB3 . 25380 1 408 . 1 1 38 38 PHE HD1 H 1 6.9600 . . 3 . . . A 38 PHE HD1 . 25380 1 409 . 1 1 38 38 PHE HE1 H 1 7.0100 . . 3 . . . A 38 PHE HE1 . 25380 1 410 . 1 1 38 38 PHE C C 13 174.6500 . . 1 . . . A 38 PHE C . 25380 1 411 . 1 1 38 38 PHE CA C 13 56.8420 . . 1 . . . A 38 PHE CA . 25380 1 412 . 1 1 38 38 PHE CB C 13 42.6190 . . 1 . . . A 38 PHE CB . 25380 1 413 . 1 1 38 38 PHE CG C 13 140.1600 . . 1 . . . A 38 PHE CG . 25380 1 414 . 1 1 38 38 PHE CD1 C 13 131.3700 . . 2 . . . A 38 PHE CD1 . 25380 1 415 . 1 1 38 38 PHE CE1 C 13 131.0800 . . 2 . . . A 38 PHE CE1 . 25380 1 416 . 1 1 38 38 PHE N N 15 119.2360 . . 1 . . . A 38 PHE N . 25380 1 417 . 1 1 39 39 ALA H H 1 7.7380 . . 1 . . . A 39 ALA H . 25380 1 418 . 1 1 39 39 ALA HA H 1 4.5400 . . 1 . . . A 39 ALA HA . 25380 1 419 . 1 1 39 39 ALA C C 13 177.0420 . . 1 . . . A 39 ALA C . 25380 1 420 . 1 1 39 39 ALA CA C 13 50.8430 . . 1 . . . A 39 ALA CA . 25380 1 421 . 1 1 39 39 ALA CB C 13 18.5780 . . 1 . . . A 39 ALA CB . 25380 1 422 . 1 1 39 39 ALA N N 15 122.5160 . . 1 . . . A 39 ALA N . 25380 1 423 . 1 1 40 40 PRO C C 13 175.4110 . . 1 . . . A 40 PRO C . 25380 1 424 . 1 1 40 40 PRO CA C 13 64.2880 . . 1 . . . A 40 PRO CA . 25380 1 425 . 1 1 40 40 PRO CB C 13 31.1040 . . 1 . . . A 40 PRO CB . 25380 1 426 . 1 1 41 41 THR H H 1 6.7150 . . 1 . . . A 41 THR H . 25380 1 427 . 1 1 41 41 THR HA H 1 4.1900 . . 1 . . . A 41 THR HA . 25380 1 428 . 1 1 41 41 THR HB H 1 4.2360 . . 1 . . . A 41 THR HB . 25380 1 429 . 1 1 41 41 THR C C 13 176.4000 . . 1 . . . A 41 THR C . 25380 1 430 . 1 1 41 41 THR CA C 13 61.9370 . . 1 . . . A 41 THR CA . 25380 1 431 . 1 1 41 41 THR CB C 13 68.3310 . . 1 . . . A 41 THR CB . 25380 1 432 . 1 1 41 41 THR N N 15 105.8780 . . 1 . . . A 41 THR N . 25380 1 433 . 1 1 42 42 ASN H H 1 7.1530 . . 1 . . . A 42 ASN H . 25380 1 434 . 1 1 42 42 ASN HA H 1 4.5350 . . 1 . . . A 42 ASN HA . 25380 1 435 . 1 1 42 42 ASN HB2 H 1 2.6070 . . 1 . . . A 42 ASN HB2 . 25380 1 436 . 1 1 42 42 ASN HB3 H 1 2.6070 . . 1 . . . A 42 ASN HB3 . 25380 1 437 . 1 1 42 42 ASN C C 13 173.7640 . . 1 . . . A 42 ASN C . 25380 1 438 . 1 1 42 42 ASN CA C 13 54.1760 . . 1 . . . A 42 ASN CA . 25380 1 439 . 1 1 42 42 ASN CB C 13 41.7150 . . 1 . . . A 42 ASN CB . 25380 1 440 . 1 1 42 42 ASN CG C 13 176.7400 . . 1 . . . A 42 ASN CG . 25380 1 441 . 1 1 42 42 ASN N N 15 118.8630 . . 1 . . . A 42 ASN N . 25380 1 442 . 1 1 43 43 ALA H H 1 9.4650 . . 1 . . . A 43 ALA H . 25380 1 443 . 1 1 43 43 ALA HA H 1 4.4250 . . 1 . . . A 43 ALA HA . 25380 1 444 . 1 1 43 43 ALA HB1 H 1 1.4680 . . 1 . . . A 43 ALA HB1 . 25380 1 445 . 1 1 43 43 ALA HB2 H 1 1.4680 . . 1 . . . A 43 ALA HB2 . 25380 1 446 . 1 1 43 43 ALA HB3 H 1 1.4680 . . 1 . . . A 43 ALA HB3 . 25380 1 447 . 1 1 43 43 ALA C C 13 179.3080 . . 1 . . . A 43 ALA C . 25380 1 448 . 1 1 43 43 ALA CA C 13 51.9820 . . 1 . . . A 43 ALA CA . 25380 1 449 . 1 1 43 43 ALA CB C 13 18.2940 . . 1 . . . A 43 ALA CB . 25380 1 450 . 1 1 43 43 ALA N N 15 126.1740 . . 1 . . . A 43 ALA N . 25380 1 451 . 1 1 44 44 HIS H H 1 9.4070 . . 1 . . . A 44 HIS H . 25380 1 452 . 1 1 44 44 HIS HA H 1 3.8270 . . 1 . . . A 44 HIS HA . 25380 1 453 . 1 1 44 44 HIS HB2 H 1 3.5570 . . 2 . . . A 44 HIS HB2 . 25380 1 454 . 1 1 44 44 HIS HB3 H 1 3.5570 . . 2 . . . A 44 HIS HB3 . 25380 1 455 . 1 1 44 44 HIS HD2 H 1 6.9400 . . 1 . . . A 44 HIS HD2 . 25380 1 456 . 1 1 44 44 HIS C C 13 177.4070 . . 1 . . . A 44 HIS C . 25380 1 457 . 1 1 44 44 HIS CA C 13 61.0250 . . 1 . . . A 44 HIS CA . 25380 1 458 . 1 1 44 44 HIS CB C 13 28.6300 . . 1 . . . A 44 HIS CB . 25380 1 459 . 1 1 44 44 HIS CD2 C 13 119.8000 . . 1 . . . A 44 HIS CD2 . 25380 1 460 . 1 1 44 44 HIS N N 15 126.2510 . . 1 . . . A 44 HIS N . 25380 1 461 . 1 1 45 45 LYS H H 1 8.9600 . . 1 . . . A 45 LYS H . 25380 1 462 . 1 1 45 45 LYS HA H 1 3.8830 . . 1 . . . A 45 LYS HA . 25380 1 463 . 1 1 45 45 LYS HB2 H 1 1.8510 . . 2 . . . A 45 LYS HB2 . 25380 1 464 . 1 1 45 45 LYS HB3 H 1 1.7700 . . 2 . . . A 45 LYS HB3 . 25380 1 465 . 1 1 45 45 LYS HG2 H 1 1.3530 . . 2 . . . A 45 LYS HG2 . 25380 1 466 . 1 1 45 45 LYS HG3 H 1 1.3530 . . 2 . . . A 45 LYS HG3 . 25380 1 467 . 1 1 45 45 LYS HD2 H 1 1.6800 . . 2 . . . A 45 LYS HD2 . 25380 1 468 . 1 1 45 45 LYS C C 13 178.2840 . . 1 . . . A 45 LYS C . 25380 1 469 . 1 1 45 45 LYS CA C 13 59.2490 . . 1 . . . A 45 LYS CA . 25380 1 470 . 1 1 45 45 LYS CB C 13 31.8340 . . 1 . . . A 45 LYS CB . 25380 1 471 . 1 1 45 45 LYS CG C 13 25.0900 . . 1 . . . A 45 LYS CG . 25380 1 472 . 1 1 45 45 LYS CD C 13 29.0900 . . 1 . . . A 45 LYS CD . 25380 1 473 . 1 1 45 45 LYS N N 15 114.9900 . . 1 . . . A 45 LYS N . 25380 1 474 . 1 1 46 46 ASP H H 1 6.7770 . . 1 . . . A 46 ASP H . 25380 1 475 . 1 1 46 46 ASP HA H 1 4.4260 . . 1 . . . A 46 ASP HA . 25380 1 476 . 1 1 46 46 ASP HB2 H 1 2.6760 . . 1 . . . A 46 ASP HB2 . 25380 1 477 . 1 1 46 46 ASP HB3 H 1 2.6760 . . 1 . . . A 46 ASP HB3 . 25380 1 478 . 1 1 46 46 ASP C C 13 177.7730 . . 1 . . . A 46 ASP C . 25380 1 479 . 1 1 46 46 ASP CA C 13 57.0160 . . 1 . . . A 46 ASP CA . 25380 1 480 . 1 1 46 46 ASP CB C 13 39.8970 . . 1 . . . A 46 ASP CB . 25380 1 481 . 1 1 46 46 ASP N N 15 120.4110 . . 1 . . . A 46 ASP N . 25380 1 482 . 1 1 47 47 MET H H 1 7.3670 . . 1 . . . A 47 MET H . 25380 1 483 . 1 1 47 47 MET HA H 1 3.8790 . . 1 . . . A 47 MET HA . 25380 1 484 . 1 1 47 47 MET HB2 H 1 1.6960 . . 1 . . . A 47 MET HB2 . 25380 1 485 . 1 1 47 47 MET HB3 H 1 1.6960 . . 1 . . . A 47 MET HB3 . 25380 1 486 . 1 1 47 47 MET HG2 H 1 2.4020 . . 2 . . . A 47 MET HG2 . 25380 1 487 . 1 1 47 47 MET HG3 H 1 2.4020 . . 2 . . . A 47 MET HG3 . 25380 1 488 . 1 1 47 47 MET C C 13 179.4990 . . 1 . . . A 47 MET C . 25380 1 489 . 1 1 47 47 MET CA C 13 56.0520 . . 1 . . . A 47 MET CA . 25380 1 490 . 1 1 47 47 MET CB C 13 29.6010 . . 1 . . . A 47 MET CB . 25380 1 491 . 1 1 47 47 MET N N 15 118.1780 . . 1 . . . A 47 MET N . 25380 1 492 . 1 1 48 48 LEU H H 1 7.6720 . . 1 . . . A 48 LEU H . 25380 1 493 . 1 1 48 48 LEU HA H 1 3.8470 . . 1 . . . A 48 LEU HA . 25380 1 494 . 1 1 48 48 LEU HB2 H 1 1.6870 . . 1 . . . A 48 LEU HB2 . 25380 1 495 . 1 1 48 48 LEU HB3 H 1 1.6870 . . 1 . . . A 48 LEU HB3 . 25380 1 496 . 1 1 48 48 LEU HG H 1 1.8100 . . 1 . . . A 48 LEU HG . 25380 1 497 . 1 1 48 48 LEU HD11 H 1 0.9370 . . 2 . . . A 48 LEU HD11 . 25380 1 498 . 1 1 48 48 LEU HD12 H 1 0.9370 . . 2 . . . A 48 LEU HD12 . 25380 1 499 . 1 1 48 48 LEU HD13 H 1 0.9370 . . 2 . . . A 48 LEU HD13 . 25380 1 500 . 1 1 48 48 LEU C C 13 179.8430 . . 1 . . . A 48 LEU C . 25380 1 501 . 1 1 48 48 LEU CA C 13 57.5800 . . 1 . . . A 48 LEU CA . 25380 1 502 . 1 1 48 48 LEU CB C 13 40.9530 . . 1 . . . A 48 LEU CB . 25380 1 503 . 1 1 48 48 LEU CG C 13 26.5690 . . 1 . . . A 48 LEU CG . 25380 1 504 . 1 1 48 48 LEU CD1 C 13 24.9160 . . 2 . . . A 48 LEU CD1 . 25380 1 505 . 1 1 48 48 LEU N N 15 117.6650 . . 1 . . . A 48 LEU N . 25380 1 506 . 1 1 49 49 LYS H H 1 7.4200 . . 1 . . . A 49 LYS H . 25380 1 507 . 1 1 49 49 LYS HA H 1 4.1270 . . 1 . . . A 49 LYS HA . 25380 1 508 . 1 1 49 49 LYS HB2 H 1 2.0790 . . 1 . . . A 49 LYS HB2 . 25380 1 509 . 1 1 49 49 LYS HB3 H 1 2.0790 . . 1 . . . A 49 LYS HB3 . 25380 1 510 . 1 1 49 49 LYS HG2 H 1 1.3700 . . 2 . . . A 49 LYS HG2 . 25380 1 511 . 1 1 49 49 LYS C C 13 179.6840 . . 1 . . . A 49 LYS C . 25380 1 512 . 1 1 49 49 LYS CA C 13 58.7990 . . 1 . . . A 49 LYS CA . 25380 1 513 . 1 1 49 49 LYS CB C 13 31.4530 . . 1 . . . A 49 LYS CB . 25380 1 514 . 1 1 49 49 LYS CG C 13 23.700 . . 1 . . . A 49 LYS CG . 25380 1 515 . 1 1 49 49 LYS N N 15 119.3260 . . 1 . . . A 49 LYS N . 25380 1 516 . 1 1 50 50 ALA H H 1 7.5510 . . 1 . . . A 50 ALA H . 25380 1 517 . 1 1 50 50 ALA HA H 1 4.0430 . . 1 . . . A 50 ALA HA . 25380 1 518 . 1 1 50 50 ALA HB1 H 1 1.2040 . . 1 . . . A 50 ALA HB1 . 25380 1 519 . 1 1 50 50 ALA HB2 H 1 1.2040 . . 1 . . . A 50 ALA HB2 . 25380 1 520 . 1 1 50 50 ALA HB3 H 1 1.2040 . . 1 . . . A 50 ALA HB3 . 25380 1 521 . 1 1 50 50 ALA C C 13 178.8180 . . 1 . . . A 50 ALA C . 25380 1 522 . 1 1 50 50 ALA CA C 13 55.1690 . . 1 . . . A 50 ALA CA . 25380 1 523 . 1 1 50 50 ALA CB C 13 17.3000 . . 1 . . . A 50 ALA CB . 25380 1 524 . 1 1 50 50 ALA N N 15 122.0220 . . 1 . . . A 50 ALA N . 25380 1 525 . 1 1 51 51 VAL H H 1 7.2260 . . 1 . . . A 51 VAL H . 25380 1 526 . 1 1 51 51 VAL HA H 1 3.4420 . . 1 . . . A 51 VAL HA . 25380 1 527 . 1 1 51 51 VAL HB H 1 2.3980 . . 1 . . . A 51 VAL HB . 25380 1 528 . 1 1 51 51 VAL HG11 H 1 1.0210 . . 2 . . . A 51 VAL HG11 . 25380 1 529 . 1 1 51 51 VAL HG12 H 1 1.0210 . . 2 . . . A 51 VAL HG12 . 25380 1 530 . 1 1 51 51 VAL HG13 H 1 1.0210 . . 2 . . . A 51 VAL HG13 . 25380 1 531 . 1 1 51 51 VAL HG21 H 1 0.9740 . . 2 . . . A 51 VAL HG21 . 25380 1 532 . 1 1 51 51 VAL HG22 H 1 0.9740 . . 2 . . . A 51 VAL HG22 . 25380 1 533 . 1 1 51 51 VAL HG23 H 1 0.9740 . . 2 . . . A 51 VAL HG23 . 25380 1 534 . 1 1 51 51 VAL C C 13 178.6460 . . 1 . . . A 51 VAL C . 25380 1 535 . 1 1 51 51 VAL CA C 13 67.2060 . . 1 . . . A 51 VAL CA . 25380 1 536 . 1 1 51 51 VAL CB C 13 31.4530 . . 1 . . . A 51 VAL CB . 25380 1 537 . 1 1 51 51 VAL CG1 C 13 22.0100 . . 2 . . . A 51 VAL CG1 . 25380 1 538 . 1 1 51 51 VAL CG2 C 13 21.8000 . . 2 . . . A 51 VAL CG2 . 25380 1 539 . 1 1 51 51 VAL N N 15 118.1650 . . 1 . . . A 51 VAL N . 25380 1 540 . 1 1 52 52 ASP H H 1 8.2320 . . 1 . . . A 52 ASP H . 25380 1 541 . 1 1 52 52 ASP HA H 1 4.3710 . . 1 . . . A 52 ASP HA . 25380 1 542 . 1 1 52 52 ASP HB2 H 1 2.6760 . . 1 . . . A 52 ASP HB2 . 25380 1 543 . 1 1 52 52 ASP HB3 H 1 2.6760 . . 1 . . . A 52 ASP HB3 . 25380 1 544 . 1 1 52 52 ASP C C 13 177.8980 . . 1 . . . A 52 ASP C . 25380 1 545 . 1 1 52 52 ASP CA C 13 57.5710 . . 1 . . . A 52 ASP CA . 25380 1 546 . 1 1 52 52 ASP CB C 13 40.3860 . . 1 . . . A 52 ASP CB . 25380 1 547 . 1 1 52 52 ASP N N 15 122.2980 . . 1 . . . A 52 ASP N . 25380 1 548 . 1 1 53 53 PHE H H 1 8.2400 . . 1 . . . A 53 PHE H . 25380 1 549 . 1 1 53 53 PHE HA H 1 4.3210 . . 1 . . . A 53 PHE HA . 25380 1 550 . 1 1 53 53 PHE HB2 H 1 1.2040 . . 1 . . . A 53 PHE HB2 . 25380 1 551 . 1 1 53 53 PHE HB3 H 1 1.2040 . . 1 . . . A 53 PHE HB3 . 25380 1 552 . 1 1 53 53 PHE HD2 H 1 6.9980 . . 3 . . . A 53 PHE HD2 . 25380 1 553 . 1 1 53 53 PHE C C 13 177.2240 . . 1 . . . A 53 PHE C . 25380 1 554 . 1 1 53 53 PHE CA C 13 61.0800 . . 1 . . . A 53 PHE CA . 25380 1 555 . 1 1 53 53 PHE CB C 13 39.7000 . . 1 . . . A 53 PHE CB . 25380 1 556 . 1 1 53 53 PHE CD2 C 13 131.7900 . . 2 . . . A 53 PHE CD2 . 25380 1 557 . 1 1 53 53 PHE N N 15 121.5410 . . 1 . . . A 53 PHE N . 25380 1 558 . 1 1 54 54 PHE H H 1 7.7550 . . 1 . . . A 54 PHE H . 25380 1 559 . 1 1 54 54 PHE HA H 1 3.6550 . . 1 . . . A 54 PHE HA . 25380 1 560 . 1 1 54 54 PHE HB2 H 1 2.8210 . . 1 . . . A 54 PHE HB2 . 25380 1 561 . 1 1 54 54 PHE HB3 H 1 2.8210 . . 1 . . . A 54 PHE HB3 . 25380 1 562 . 1 1 54 54 PHE HD2 H 1 7.1460 . . 3 . . . A 54 PHE HD2 . 25380 1 563 . 1 1 54 54 PHE C C 13 178.2690 . . 1 . . . A 54 PHE C . 25380 1 564 . 1 1 54 54 PHE CA C 13 64.2000 . . 1 . . . A 54 PHE CA . 25380 1 565 . 1 1 54 54 PHE CB C 13 38.5780 . . 1 . . . A 54 PHE CB . 25380 1 566 . 1 1 54 54 PHE CG C 13 138.7400 . . 1 . . . A 54 PHE CG . 25380 1 567 . 1 1 54 54 PHE CD2 C 13 131.8500 . . 2 . . . A 54 PHE CD2 . 25380 1 568 . 1 1 54 54 PHE N N 15 115.9250 . . 1 . . . A 54 PHE N . 25380 1 569 . 1 1 55 55 LYS H H 1 8.2130 . . 1 . . . A 55 LYS H . 25380 1 570 . 1 1 55 55 LYS HA H 1 4.4260 . . 1 . . . A 55 LYS HA . 25380 1 571 . 1 1 55 55 LYS HB2 H 1 2.0650 . . 1 . . . A 55 LYS HB2 . 25380 1 572 . 1 1 55 55 LYS HB3 H 1 2.0650 . . 1 . . . A 55 LYS HB3 . 25380 1 573 . 1 1 55 55 LYS HD2 H 1 1.6900 . . 2 . . . A 55 LYS HD2 . 25380 1 574 . 1 1 55 55 LYS HD3 H 1 1.6900 . . 2 . . . A 55 LYS HD3 . 25380 1 575 . 1 1 55 55 LYS C C 13 181.4840 . . 1 . . . A 55 LYS C . 25380 1 576 . 1 1 55 55 LYS CA C 13 59.6290 . . 1 . . . A 55 LYS CA . 25380 1 577 . 1 1 55 55 LYS CB C 13 31.7390 . . 1 . . . A 55 LYS CB . 25380 1 578 . 1 1 55 55 LYS CD C 13 29.1490 . . 1 . . . A 55 LYS CD . 25380 1 579 . 1 1 55 55 LYS N N 15 120.2510 . . 1 . . . A 55 LYS N . 25380 1 580 . 1 1 56 56 GLU H H 1 7.8500 . . 1 . . . A 56 GLU H . 25380 1 581 . 1 1 56 56 GLU HA H 1 3.9930 . . 1 . . . A 56 GLU HA . 25380 1 582 . 1 1 56 56 GLU HB2 H 1 1.9920 . . 1 . . . A 56 GLU HB2 . 25380 1 583 . 1 1 56 56 GLU HB3 H 1 1.9920 . . 1 . . . A 56 GLU HB3 . 25380 1 584 . 1 1 56 56 GLU HG2 H 1 2.2240 . . 2 . . . A 56 GLU HG2 . 25380 1 585 . 1 1 56 56 GLU HG3 H 1 2.2240 . . 2 . . . A 56 GLU HG3 . 25380 1 586 . 1 1 56 56 GLU C C 13 178.0850 . . 1 . . . A 56 GLU C . 25380 1 587 . 1 1 56 56 GLU CA C 13 58.7880 . . 1 . . . A 56 GLU CA . 25380 1 588 . 1 1 56 56 GLU CB C 13 28.5960 . . 1 . . . A 56 GLU CB . 25380 1 589 . 1 1 56 56 GLU CG C 13 36.2180 . . 1 . . . A 56 GLU CG . 25380 1 590 . 1 1 56 56 GLU N N 15 120.1460 . . 1 . . . A 56 GLU N . 25380 1 591 . 1 1 57 57 LYS H H 1 7.0190 . . 1 . . . A 57 LYS H . 25380 1 592 . 1 1 57 57 LYS HA H 1 4.1030 . . 1 . . . A 57 LYS HA . 25380 1 593 . 1 1 57 57 LYS HB2 H 1 1.6310 . . 1 . . . A 57 LYS HB2 . 25380 1 594 . 1 1 57 57 LYS HB3 H 1 1.6310 . . 1 . . . A 57 LYS HB3 . 25380 1 595 . 1 1 57 57 LYS HG2 H 1 1.4000 . . 2 . . . A 57 LYS HG2 . 25380 1 596 . 1 1 57 57 LYS HG3 H 1 1.4000 . . 2 . . . A 57 LYS HG3 . 25380 1 597 . 1 1 57 57 LYS HD2 H 1 1.6880 . . 2 . . . A 57 LYS HD2 . 25380 1 598 . 1 1 57 57 LYS HD3 H 1 1.6880 . . 2 . . . A 57 LYS HD3 . 25380 1 599 . 1 1 57 57 LYS C C 13 176.2250 . . 1 . . . A 57 LYS C . 25380 1 600 . 1 1 57 57 LYS CA C 13 54.5720 . . 1 . . . A 57 LYS CA . 25380 1 601 . 1 1 57 57 LYS CB C 13 32.0360 . . 1 . . . A 57 LYS CB . 25380 1 602 . 1 1 57 57 LYS CG C 13 24.8670 . . 1 . . . A 57 LYS CG . 25380 1 603 . 1 1 57 57 LYS CD C 13 29.1200 . . 1 . . . A 57 LYS CD . 25380 1 604 . 1 1 57 57 LYS N N 15 115.9400 . . 1 . . . A 57 LYS N . 25380 1 605 . 1 1 58 58 GLY H H 1 7.8830 . . 1 . . . A 58 GLY H . 25380 1 606 . 1 1 58 58 GLY HA2 H 1 3.7000 . . 1 . . . A 58 GLY HA2 . 25380 1 607 . 1 1 58 58 GLY HA3 H 1 4.0800 . . 1 . . . A 58 GLY HA3 . 25380 1 608 . 1 1 58 58 GLY C C 13 174.3500 . . 1 . . . A 58 GLY C . 25380 1 609 . 1 1 58 58 GLY CA C 13 45.5000 . . 1 . . . A 58 GLY CA . 25380 1 610 . 1 1 58 58 GLY N N 15 106.5930 . . 1 . . . A 58 GLY N . 25380 1 611 . 1 1 59 59 HIS H H 1 8.2180 . . 1 . . . A 59 HIS H . 25380 1 612 . 1 1 59 59 HIS HA H 1 4.8670 . . 1 . . . A 59 HIS HA . 25380 1 613 . 1 1 59 59 HIS HB2 H 1 2.5670 . . 1 . . . A 59 HIS HB2 . 25380 1 614 . 1 1 59 59 HIS HB3 H 1 2.5670 . . 1 . . . A 59 HIS HB3 . 25380 1 615 . 1 1 59 59 HIS C C 13 173.2710 . . 1 . . . A 59 HIS C . 25380 1 616 . 1 1 59 59 HIS CA C 13 54.7780 . . 1 . . . A 59 HIS CA . 25380 1 617 . 1 1 59 59 HIS CB C 13 31.6850 . . 1 . . . A 59 HIS CB . 25380 1 618 . 1 1 59 59 HIS N N 15 117.9620 . . 1 . . . A 59 HIS N . 25380 1 619 . 1 1 60 60 THR H H 1 8.7800 . . 1 . . . A 60 THR H . 25380 1 620 . 1 1 60 60 THR HA H 1 4.4300 . . 1 . . . A 60 THR HA . 25380 1 621 . 1 1 60 60 THR HB H 1 3.9900 . . 1 . . . A 60 THR HB . 25380 1 622 . 1 1 60 60 THR C C 13 171.4300 . . 1 . . . A 60 THR C . 25380 1 623 . 1 1 60 60 THR CA C 13 63.4800 . . 1 . . . A 60 THR CA . 25380 1 624 . 1 1 60 60 THR CB C 13 69.7610 . . 1 . . . A 60 THR CB . 25380 1 625 . 1 1 60 60 THR N N 15 119.6240 . . 1 . . . A 60 THR N . 25380 1 626 . 1 1 61 61 ALA H H 1 7.7950 . . 1 . . . A 61 ALA H . 25380 1 627 . 1 1 61 61 ALA HA H 1 5.2460 . . 1 . . . A 61 ALA HA . 25380 1 628 . 1 1 61 61 ALA HB1 H 1 1.0900 . . 1 . . . A 61 ALA HB1 . 25380 1 629 . 1 1 61 61 ALA HB2 H 1 1.0900 . . 1 . . . A 61 ALA HB2 . 25380 1 630 . 1 1 61 61 ALA HB3 H 1 1.0900 . . 1 . . . A 61 ALA HB3 . 25380 1 631 . 1 1 61 61 ALA C C 13 174.7530 . . 1 . . . A 61 ALA C . 25380 1 632 . 1 1 61 61 ALA CA C 13 49.7720 . . 1 . . . A 61 ALA CA . 25380 1 633 . 1 1 61 61 ALA CB C 13 22.8890 . . 1 . . . A 61 ALA CB . 25380 1 634 . 1 1 61 61 ALA N N 15 126.7060 . . 1 . . . A 61 ALA N . 25380 1 635 . 1 1 62 62 TYR H H 1 8.7110 . . 1 . . . A 62 TYR H . 25380 1 636 . 1 1 62 62 TYR HB2 H 1 2.7850 . . 1 . . . A 62 TYR HB2 . 25380 1 637 . 1 1 62 62 TYR HB3 H 1 2.7850 . . 1 . . . A 62 TYR HB3 . 25380 1 638 . 1 1 62 62 TYR HD2 H 1 7.0100 . . 3 . . . A 62 TYR HD2 . 25380 1 639 . 1 1 62 62 TYR C C 13 173.4310 . . 1 . . . A 62 TYR C . 25380 1 640 . 1 1 62 62 TYR CA C 13 56.6470 . . 1 . . . A 62 TYR CA . 25380 1 641 . 1 1 62 62 TYR CB C 13 40.5490 . . 1 . . . A 62 TYR CB . 25380 1 642 . 1 1 62 62 TYR CD2 C 13 132.9300 . . 2 . . . A 62 TYR CD2 . 25380 1 643 . 1 1 62 62 TYR N N 15 117.8590 . . 1 . . . A 62 TYR N . 25380 1 644 . 1 1 63 63 LEU H H 1 8.7460 . . 1 . . . A 63 LEU H . 25380 1 645 . 1 1 63 63 LEU HA H 1 5.4110 . . 1 . . . A 63 LEU HA . 25380 1 646 . 1 1 63 63 LEU HB2 H 1 1.8030 . . 1 . . . A 63 LEU HB2 . 25380 1 647 . 1 1 63 63 LEU HB3 H 1 1.8030 . . 1 . . . A 63 LEU HB3 . 25380 1 648 . 1 1 63 63 LEU HG H 1 1.3300 . . 1 . . . A 63 LEU HG . 25380 1 649 . 1 1 63 63 LEU HD11 H 1 0.9190 . . 2 . . . A 63 LEU HD11 . 25380 1 650 . 1 1 63 63 LEU HD12 H 1 0.9190 . . 2 . . . A 63 LEU HD12 . 25380 1 651 . 1 1 63 63 LEU HD13 H 1 0.9190 . . 2 . . . A 63 LEU HD13 . 25380 1 652 . 1 1 63 63 LEU C C 13 175.3190 . . 1 . . . A 63 LEU C . 25380 1 653 . 1 1 63 63 LEU CA C 13 53.2300 . . 1 . . . A 63 LEU CA . 25380 1 654 . 1 1 63 63 LEU CB C 13 45.7010 . . 1 . . . A 63 LEU CB . 25380 1 655 . 1 1 63 63 LEU CG C 13 26.8870 . . 1 . . . A 63 LEU CG . 25380 1 656 . 1 1 63 63 LEU CD1 C 13 25.3200 . . 2 . . . A 63 LEU CD1 . 25380 1 657 . 1 1 63 63 LEU N N 15 125.0440 . . 1 . . . A 63 LEU N . 25380 1 658 . 1 1 64 64 ASP H H 1 9.2930 . . 1 . . . A 64 ASP H . 25380 1 659 . 1 1 64 64 ASP HA H 1 5.1990 . . 1 . . . A 64 ASP HA . 25380 1 660 . 1 1 64 64 ASP HB2 H 1 2.7330 . . 1 . . . A 64 ASP HB2 . 25380 1 661 . 1 1 64 64 ASP HB3 H 1 2.7330 . . 1 . . . A 64 ASP HB3 . 25380 1 662 . 1 1 64 64 ASP C C 13 174.5120 . . 1 . . . A 64 ASP C . 25380 1 663 . 1 1 64 64 ASP CA C 13 52.7000 . . 1 . . . A 64 ASP CA . 25380 1 664 . 1 1 64 64 ASP CB C 13 43.9540 . . 1 . . . A 64 ASP CB . 25380 1 665 . 1 1 64 64 ASP N N 15 125.4630 . . 1 . . . A 64 ASP N . 25380 1 666 . 1 1 65 65 GLU H H 1 8.7150 . . 1 . . . A 65 GLU H . 25380 1 667 . 1 1 65 65 GLU HA H 1 5.0670 . . 1 . . . A 65 GLU HA . 25380 1 668 . 1 1 65 65 GLU HB2 H 1 1.8360 . . 1 . . . A 65 GLU HB2 . 25380 1 669 . 1 1 65 65 GLU HB3 H 1 1.8360 . . 1 . . . A 65 GLU HB3 . 25380 1 670 . 1 1 65 65 GLU C C 13 175.6520 . . 1 . . . A 65 GLU C . 25380 1 671 . 1 1 65 65 GLU CA C 13 55.6430 . . 1 . . . A 65 GLU CA . 25380 1 672 . 1 1 65 65 GLU CB C 13 30.4550 . . 1 . . . A 65 GLU CB . 25380 1 673 . 1 1 65 65 GLU N N 15 120.7110 . . 1 . . . A 65 GLU N . 25380 1 674 . 1 1 66 66 VAL H H 1 9.1560 . . 1 . . . A 66 VAL H . 25380 1 675 . 1 1 66 66 VAL HA H 1 4.4300 . . 1 . . . A 66 VAL HA . 25380 1 676 . 1 1 66 66 VAL HB H 1 2.0160 . . 1 . . . A 66 VAL HB . 25380 1 677 . 1 1 66 66 VAL HG11 H 1 0.5010 . . 2 . . . A 66 VAL HG11 . 25380 1 678 . 1 1 66 66 VAL HG12 H 1 0.5010 . . 2 . . . A 66 VAL HG12 . 25380 1 679 . 1 1 66 66 VAL HG13 H 1 0.5010 . . 2 . . . A 66 VAL HG13 . 25380 1 680 . 1 1 66 66 VAL HG21 H 1 0.5010 . . 2 . . . A 66 VAL HG21 . 25380 1 681 . 1 1 66 66 VAL HG22 H 1 0.5010 . . 2 . . . A 66 VAL HG22 . 25380 1 682 . 1 1 66 66 VAL HG23 H 1 0.5010 . . 2 . . . A 66 VAL HG23 . 25380 1 683 . 1 1 66 66 VAL C C 13 175.0650 . . 1 . . . A 66 VAL C . 25380 1 684 . 1 1 66 66 VAL CA C 13 60.9910 . . 1 . . . A 66 VAL CA . 25380 1 685 . 1 1 66 66 VAL CB C 13 34.2800 . . 1 . . . A 66 VAL CB . 25380 1 686 . 1 1 66 66 VAL CG1 C 13 21.5570 . . 2 . . . A 66 VAL CG1 . 25380 1 687 . 1 1 66 66 VAL CG2 C 13 21.2790 . . 2 . . . A 66 VAL CG2 . 25380 1 688 . 1 1 66 66 VAL N N 15 122.9360 . . 1 . . . A 66 VAL N . 25380 1 689 . 1 1 67 67 ARG H H 1 8.7340 . . 1 . . . A 67 ARG H . 25380 1 690 . 1 1 67 67 ARG HA H 1 4.5410 . . 1 . . . A 67 ARG HA . 25380 1 691 . 1 1 67 67 ARG HB2 H 1 1.8070 . . 1 . . . A 67 ARG HB2 . 25380 1 692 . 1 1 67 67 ARG HB3 H 1 1.8070 . . 1 . . . A 67 ARG HB3 . 25380 1 693 . 1 1 67 67 ARG HG2 H 1 1.5680 . . 2 . . . A 67 ARG HG2 . 25380 1 694 . 1 1 67 67 ARG HG3 H 1 1.5680 . . 2 . . . A 67 ARG HG3 . 25380 1 695 . 1 1 67 67 ARG C C 13 176.7080 . . 1 . . . A 67 ARG C . 25380 1 696 . 1 1 67 67 ARG CA C 13 56.0800 . . 1 . . . A 67 ARG CA . 25380 1 697 . 1 1 67 67 ARG CB C 13 30.9080 . . 1 . . . A 67 ARG CB . 25380 1 698 . 1 1 67 67 ARG CG C 13 27.4060 . . 1 . . . A 67 ARG CG . 25380 1 699 . 1 1 67 67 ARG N N 15 126.1040 . . 1 . . . A 67 ARG N . 25380 1 700 . 1 1 68 68 VAL H H 1 8.3840 . . 1 . . . A 68 VAL H . 25380 1 701 . 1 1 68 68 VAL HA H 1 4.1520 . . 1 . . . A 68 VAL HA . 25380 1 702 . 1 1 68 68 VAL HB H 1 1.8010 . . 1 . . . A 68 VAL HB . 25380 1 703 . 1 1 68 68 VAL HG21 H 1 0.7430 . . 2 . . . A 68 VAL HG21 . 25380 1 704 . 1 1 68 68 VAL HG22 H 1 0.7430 . . 2 . . . A 68 VAL HG22 . 25380 1 705 . 1 1 68 68 VAL HG23 H 1 0.7430 . . 2 . . . A 68 VAL HG23 . 25380 1 706 . 1 1 68 68 VAL C C 13 175.9310 . . 1 . . . A 68 VAL C . 25380 1 707 . 1 1 68 68 VAL CA C 13 62.7760 . . 1 . . . A 68 VAL CA . 25380 1 708 . 1 1 68 68 VAL CB C 13 32.4890 . . 1 . . . A 68 VAL CB . 25380 1 709 . 1 1 68 68 VAL CG2 C 13 21.1500 . . 2 . . . A 68 VAL CG2 . 25380 1 710 . 1 1 68 68 VAL N N 15 120.7070 . . 1 . . . A 68 VAL N . 25380 1 711 . 1 1 69 69 SER H H 1 8.0670 . . 1 . . . A 69 SER H . 25380 1 712 . 1 1 69 69 SER HA H 1 4.6930 . . 1 . . . A 69 SER HA . 25380 1 713 . 1 1 69 69 SER HB2 H 1 3.8800 . . 1 . . . A 69 SER HB2 . 25380 1 714 . 1 1 69 69 SER HB3 H 1 3.8800 . . 1 . . . A 69 SER HB3 . 25380 1 715 . 1 1 69 69 SER C C 13 174.5440 . . 1 . . . A 69 SER C . 25380 1 716 . 1 1 69 69 SER CA C 13 57.7540 . . 1 . . . A 69 SER CA . 25380 1 717 . 1 1 69 69 SER CB C 13 64.8310 . . 1 . . . A 69 SER CB . 25380 1 718 . 1 1 69 69 SER N N 15 116.1560 . . 1 . . . A 69 SER N . 25380 1 719 . 1 1 70 70 THR H H 1 8.0950 . . 1 . . . A 70 THR H . 25380 1 720 . 1 1 70 70 THR HA H 1 4.1520 . . 1 . . . A 70 THR HA . 25380 1 721 . 1 1 70 70 THR HB H 1 3.5510 . . 1 . . . A 70 THR HB . 25380 1 722 . 1 1 70 70 THR C C 13 174.8650 . . 1 . . . A 70 THR C . 25380 1 723 . 1 1 70 70 THR CA C 13 63.8310 . . 1 . . . A 70 THR CA . 25380 1 724 . 1 1 70 70 THR CB C 13 68.9560 . . 1 . . . A 70 THR CB . 25380 1 725 . 1 1 70 70 THR N N 15 110.7530 . . 1 . . . A 70 THR N . 25380 1 726 . 1 1 71 71 ASP H H 1 8.0760 . . 1 . . . A 71 ASP H . 25380 1 727 . 1 1 71 71 ASP HA H 1 4.5900 . . 1 . . . A 71 ASP HA . 25380 1 728 . 1 1 71 71 ASP HB2 H 1 2.6760 . . 1 . . . A 71 ASP HB2 . 25380 1 729 . 1 1 71 71 ASP HB3 H 1 2.6760 . . 1 . . . A 71 ASP HB3 . 25380 1 730 . 1 1 71 71 ASP C C 13 176.7460 . . 1 . . . A 71 ASP C . 25380 1 731 . 1 1 71 71 ASP CA C 13 54.2640 . . 1 . . . A 71 ASP CA . 25380 1 732 . 1 1 71 71 ASP CB C 13 41.4250 . . 1 . . . A 71 ASP CB . 25380 1 733 . 1 1 71 71 ASP N N 15 121.8170 . . 1 . . . A 71 ASP N . 25380 1 734 . 1 1 72 72 GLU H H 1 8.5140 . . 1 . . . A 72 GLU H . 25380 1 735 . 1 1 72 72 GLU HA H 1 3.9930 . . 1 . . . A 72 GLU HA . 25380 1 736 . 1 1 72 72 GLU HB2 H 1 2.0230 . . 1 . . . A 72 GLU HB2 . 25380 1 737 . 1 1 72 72 GLU HB3 H 1 2.0230 . . 1 . . . A 72 GLU HB3 . 25380 1 738 . 1 1 72 72 GLU HG2 H 1 2.0700 . . 2 . . . A 72 GLU HG2 . 25380 1 739 . 1 1 72 72 GLU HG3 H 1 2.0700 . . 2 . . . A 72 GLU HG3 . 25380 1 740 . 1 1 72 72 GLU C C 13 176.9710 . . 1 . . . A 72 GLU C . 25380 1 741 . 1 1 72 72 GLU CA C 13 58.2190 . . 1 . . . A 72 GLU CA . 25380 1 742 . 1 1 72 72 GLU CB C 13 29.7020 . . 1 . . . A 72 GLU CB . 25380 1 743 . 1 1 72 72 GLU CG C 13 36.0800 . . 1 . . . A 72 GLU CG . 25380 1 744 . 1 1 72 72 GLU N N 15 123.6350 . . 1 . . . A 72 GLU N . 25380 1 745 . 1 1 73 73 LYS H H 1 8.4230 . . 1 . . . A 73 LYS H . 25380 1 746 . 1 1 73 73 LYS HA H 1 4.6430 . . 1 . . . A 73 LYS HA . 25380 1 747 . 1 1 73 73 LYS HB2 H 1 1.8040 . . 1 . . . A 73 LYS HB2 . 25380 1 748 . 1 1 73 73 LYS HB3 H 1 1.8040 . . 1 . . . A 73 LYS HB3 . 25380 1 749 . 1 1 73 73 LYS HD2 H 1 1.6480 . . 2 . . . A 73 LYS HD2 . 25380 1 750 . 1 1 73 73 LYS HD3 H 1 1.6480 . . 2 . . . A 73 LYS HD3 . 25380 1 751 . 1 1 73 73 LYS C C 13 176.5080 . . 1 . . . A 73 LYS C . 25380 1 752 . 1 1 73 73 LYS CA C 13 57.0800 . . 1 . . . A 73 LYS CA . 25380 1 753 . 1 1 73 73 LYS CB C 13 32.2030 . . 1 . . . A 73 LYS CB . 25380 1 754 . 1 1 73 73 LYS CD C 13 29.1500 . . 1 . . . A 73 LYS CD . 25380 1 755 . 1 1 73 73 LYS N N 15 117.8570 . . 1 . . . A 73 LYS N . 25380 1 756 . 1 1 74 74 ASP H H 1 7.9180 . . 1 . . . A 74 ASP H . 25380 1 757 . 1 1 74 74 ASP HA H 1 4.7580 . . 1 . . . A 74 ASP HA . 25380 1 758 . 1 1 74 74 ASP HB2 H 1 2.8910 . . 1 . . . A 74 ASP HB2 . 25380 1 759 . 1 1 74 74 ASP HB3 H 1 2.4620 . . 1 . . . A 74 ASP HB3 . 25380 1 760 . 1 1 74 74 ASP C C 13 174.0590 . . 1 . . . A 74 ASP C . 25380 1 761 . 1 1 74 74 ASP CA C 13 53.2790 . . 1 . . . A 74 ASP CA . 25380 1 762 . 1 1 74 74 ASP CB C 13 40.5780 . . 1 . . . A 74 ASP CB . 25380 1 763 . 1 1 74 74 ASP N N 15 120.5800 . . 1 . . . A 74 ASP N . 25380 1 764 . 1 1 75 75 PHE H H 1 7.3970 . . 1 . . . A 75 PHE H . 25380 1 765 . 1 1 75 75 PHE HA H 1 5.3630 . . 1 . . . A 75 PHE HA . 25380 1 766 . 1 1 75 75 PHE HB2 H 1 2.8450 . . 1 . . . A 75 PHE HB2 . 25380 1 767 . 1 1 75 75 PHE HB3 H 1 2.8450 . . 1 . . . A 75 PHE HB3 . 25380 1 768 . 1 1 75 75 PHE HD2 H 1 6.9700 . . 3 . . . A 75 PHE HD2 . 25380 1 769 . 1 1 75 75 PHE HE2 H 1 7.2500 . . 3 . . . A 75 PHE HE2 . 25380 1 770 . 1 1 75 75 PHE C C 13 173.0380 . . 1 . . . A 75 PHE C . 25380 1 771 . 1 1 75 75 PHE CA C 13 55.5220 . . 1 . . . A 75 PHE CA . 25380 1 772 . 1 1 75 75 PHE CB C 13 41.7140 . . 1 . . . A 75 PHE CB . 25380 1 773 . 1 1 75 75 PHE CD2 C 13 132.1200 . . 2 . . . A 75 PHE CD2 . 25380 1 774 . 1 1 75 75 PHE CE2 C 13 131.0600 . . 2 . . . A 75 PHE CE2 . 25380 1 775 . 1 1 75 75 PHE N N 15 118.5130 . . 1 . . . A 75 PHE N . 25380 1 776 . 1 1 76 76 LEU H H 1 8.7740 . . 1 . . . A 76 LEU H . 25380 1 777 . 1 1 76 76 LEU HA H 1 4.6430 . . 1 . . . A 76 LEU HA . 25380 1 778 . 1 1 76 76 LEU HB2 H 1 1.6900 . . 1 . . . A 76 LEU HB2 . 25380 1 779 . 1 1 76 76 LEU HB3 H 1 1.6900 . . 1 . . . A 76 LEU HB3 . 25380 1 780 . 1 1 76 76 LEU HG H 1 1.5130 . . 1 . . . A 76 LEU HG . 25380 1 781 . 1 1 76 76 LEU HD11 H 1 0.7890 . . 2 . . . A 76 LEU HD11 . 25380 1 782 . 1 1 76 76 LEU HD12 H 1 0.7890 . . 2 . . . A 76 LEU HD12 . 25380 1 783 . 1 1 76 76 LEU HD13 H 1 0.7890 . . 2 . . . A 76 LEU HD13 . 25380 1 784 . 1 1 76 76 LEU C C 13 177.5530 . . 1 . . . A 76 LEU C . 25380 1 785 . 1 1 76 76 LEU CA C 13 53.6190 . . 1 . . . A 76 LEU CA . 25380 1 786 . 1 1 76 76 LEU CB C 13 45.7010 . . 1 . . . A 76 LEU CB . 25380 1 787 . 1 1 76 76 LEU CG C 13 26.8900 . . 1 . . . A 76 LEU CG . 25380 1 788 . 1 1 76 76 LEU CD1 C 13 25.1800 . . 2 . . . A 76 LEU CD1 . 25380 1 789 . 1 1 76 76 LEU N N 15 116.7730 . . 1 . . . A 76 LEU N . 25380 1 790 . 1 1 77 77 TYR H H 1 8.5890 . . 1 . . . A 77 TYR H . 25380 1 791 . 1 1 77 77 TYR HA H 1 5.4150 . . 1 . . . A 77 TYR HA . 25380 1 792 . 1 1 77 77 TYR HB2 H 1 3.1150 . . 1 . . . A 77 TYR HB2 . 25380 1 793 . 1 1 77 77 TYR HB3 H 1 3.1150 . . 1 . . . A 77 TYR HB3 . 25380 1 794 . 1 1 77 77 TYR HD1 H 1 6.9260 . . 3 . . . A 77 TYR HD1 . 25380 1 795 . 1 1 77 77 TYR HE1 H 1 6.7200 . . 3 . . . A 77 TYR HE1 . 25380 1 796 . 1 1 77 77 TYR C C 13 175.4790 . . 1 . . . A 77 TYR C . 25380 1 797 . 1 1 77 77 TYR CA C 13 58.3910 . . 1 . . . A 77 TYR CA . 25380 1 798 . 1 1 77 77 TYR CB C 13 41.1000 . . 1 . . . A 77 TYR CB . 25380 1 799 . 1 1 77 77 TYR CD1 C 13 132.9900 . . 2 . . . A 77 TYR CD1 . 25380 1 800 . 1 1 77 77 TYR CE1 C 13 117.5800 . . 2 . . . A 77 TYR CE1 . 25380 1 801 . 1 1 77 77 TYR N N 15 118.3770 . . 1 . . . A 77 TYR N . 25380 1 802 . 1 1 78 78 GLU H H 1 9.5760 . . 1 . . . A 78 GLU H . 25380 1 803 . 1 1 78 78 GLU HA H 1 4.9730 . . 1 . . . A 78 GLU HA . 25380 1 804 . 1 1 78 78 GLU HB2 H 1 1.9060 . . 1 . . . A 78 GLU HB2 . 25380 1 805 . 1 1 78 78 GLU HB3 H 1 1.9060 . . 1 . . . A 78 GLU HB3 . 25380 1 806 . 1 1 78 78 GLU HG2 H 1 1.9500 . . 2 . . . A 78 GLU HG2 . 25380 1 807 . 1 1 78 78 GLU HG3 H 1 1.9500 . . 2 . . . A 78 GLU HG3 . 25380 1 808 . 1 1 78 78 GLU C C 13 174.1200 . . 1 . . . A 78 GLU C . 25380 1 809 . 1 1 78 78 GLU CA C 13 54.3780 . . 1 . . . A 78 GLU CA . 25380 1 810 . 1 1 78 78 GLU CB C 13 32.6400 . . 1 . . . A 78 GLU CB . 25380 1 811 . 1 1 78 78 GLU CG C 13 35.9400 . . 1 . . . A 78 GLU CG . 25380 1 812 . 1 1 78 78 GLU N N 15 123.8750 . . 1 . . . A 78 GLU N . 25380 1 813 . 1 1 79 79 LEU H H 1 9.1390 . . 1 . . . A 79 LEU H . 25380 1 814 . 1 1 79 79 LEU HA H 1 5.2890 . . 1 . . . A 79 LEU HA . 25380 1 815 . 1 1 79 79 LEU HB2 H 1 2.0110 . . 1 . . . A 79 LEU HB2 . 25380 1 816 . 1 1 79 79 LEU HB3 H 1 2.0110 . . 1 . . . A 79 LEU HB3 . 25380 1 817 . 1 1 79 79 LEU HG H 1 1.0700 . . 1 . . . A 79 LEU HG . 25380 1 818 . 1 1 79 79 LEU HD11 H 1 0.4500 . . 2 . . . A 79 LEU HD11 . 25380 1 819 . 1 1 79 79 LEU HD12 H 1 0.4500 . . 2 . . . A 79 LEU HD12 . 25380 1 820 . 1 1 79 79 LEU HD13 H 1 0.4500 . . 2 . . . A 79 LEU HD13 . 25380 1 821 . 1 1 79 79 LEU C C 13 174.2190 . . 1 . . . A 79 LEU C . 25380 1 822 . 1 1 79 79 LEU CA C 13 53.1490 . . 1 . . . A 79 LEU CA . 25380 1 823 . 1 1 79 79 LEU CB C 13 46.6300 . . 1 . . . A 79 LEU CB . 25380 1 824 . 1 1 79 79 LEU CG C 13 27.2500 . . 1 . . . A 79 LEU CG . 25380 1 825 . 1 1 79 79 LEU CD1 C 13 25.3440 . . 2 . . . A 79 LEU CD1 . 25380 1 826 . 1 1 79 79 LEU N N 15 128.6610 . . 1 . . . A 79 LEU N . 25380 1 827 . 1 1 80 80 HIS H H 1 8.8970 . . 1 . . . A 80 HIS H . 25380 1 828 . 1 1 80 80 HIS HA H 1 5.4300 . . 1 . . . A 80 HIS HA . 25380 1 829 . 1 1 80 80 HIS HB2 H 1 2.5200 . . 1 . . . A 80 HIS HB2 . 25380 1 830 . 1 1 80 80 HIS HB3 H 1 2.9800 . . 1 . . . A 80 HIS HB3 . 25380 1 831 . 1 1 80 80 HIS HD2 H 1 6.9880 . . 1 . . . A 80 HIS HD2 . 25380 1 832 . 1 1 80 80 HIS C C 13 173.3460 . . 1 . . . A 80 HIS C . 25380 1 833 . 1 1 80 80 HIS CA C 13 53.1490 . . 1 . . . A 80 HIS CA . 25380 1 834 . 1 1 80 80 HIS CB C 13 30.7680 . . 1 . . . A 80 HIS CB . 25380 1 835 . 1 1 80 80 HIS CD2 C 13 119.7000 . . 1 . . . A 80 HIS CD2 . 25380 1 836 . 1 1 80 80 HIS N N 15 124.8860 . . 1 . . . A 80 HIS N . 25380 1 837 . 1 1 81 81 ILE H H 1 8.9090 . . 1 . . . A 81 ILE H . 25380 1 838 . 1 1 81 81 ILE HA H 1 4.2900 . . 1 . . . A 81 ILE HA . 25380 1 839 . 1 1 81 81 ILE HB H 1 1.2800 . . 1 . . . A 81 ILE HB . 25380 1 840 . 1 1 81 81 ILE HG12 H 1 1.0300 . . 2 . . . A 81 ILE HG12 . 25380 1 841 . 1 1 81 81 ILE HG13 H 1 1.0300 . . 2 . . . A 81 ILE HG13 . 25380 1 842 . 1 1 81 81 ILE HG21 H 1 0.4950 . . 1 . . . A 81 ILE HG21 . 25380 1 843 . 1 1 81 81 ILE HG22 H 1 0.4950 . . 1 . . . A 81 ILE HG22 . 25380 1 844 . 1 1 81 81 ILE HG23 H 1 0.4950 . . 1 . . . A 81 ILE HG23 . 25380 1 845 . 1 1 81 81 ILE HD11 H 1 0.3020 . . 1 . . . A 81 ILE HD11 . 25380 1 846 . 1 1 81 81 ILE HD12 H 1 0.3020 . . 1 . . . A 81 ILE HD12 . 25380 1 847 . 1 1 81 81 ILE HD13 H 1 0.3020 . . 1 . . . A 81 ILE HD13 . 25380 1 848 . 1 1 81 81 ILE C C 13 174.6000 . . 1 . . . A 81 ILE C . 25380 1 849 . 1 1 81 81 ILE CA C 13 60.5000 . . 1 . . . A 81 ILE CA . 25380 1 850 . 1 1 81 81 ILE CB C 13 39.7000 . . 1 . . . A 81 ILE CB . 25380 1 851 . 1 1 81 81 ILE CG1 C 13 28.0100 . . 1 . . . A 81 ILE CG1 . 25380 1 852 . 1 1 81 81 ILE CD1 C 13 13.9800 . . 1 . . . A 81 ILE CD1 . 25380 1 853 . 1 1 81 81 ILE N N 15 125.1730 . . 1 . . . A 81 ILE N . 25380 1 854 . 1 1 82 82 ILE H H 1 8.4840 . . 1 . . . A 82 ILE H . 25380 1 855 . 1 1 82 82 ILE HA H 1 4.2070 . . 1 . . . A 82 ILE HA . 25380 1 856 . 1 1 82 82 ILE HB H 1 1.9100 . . 1 . . . A 82 ILE HB . 25380 1 857 . 1 1 82 82 ILE HG12 H 1 1.4200 . . 2 . . . A 82 ILE HG12 . 25380 1 858 . 1 1 82 82 ILE HG13 H 1 1.4200 . . 2 . . . A 82 ILE HG13 . 25380 1 859 . 1 1 82 82 ILE HG21 H 1 1.0700 . . 1 . . . A 82 ILE HG21 . 25380 1 860 . 1 1 82 82 ILE HG22 H 1 1.0700 . . 1 . . . A 82 ILE HG22 . 25380 1 861 . 1 1 82 82 ILE HG23 H 1 1.0700 . . 1 . . . A 82 ILE HG23 . 25380 1 862 . 1 1 82 82 ILE C C 13 181.9000 . . 1 . . . A 82 ILE C . 25380 1 863 . 1 1 82 82 ILE CA C 13 63.0000 . . 1 . . . A 82 ILE CA . 25380 1 864 . 1 1 82 82 ILE CB C 13 39.2000 . . 1 . . . A 82 ILE CB . 25380 1 865 . 1 1 82 82 ILE CG1 C 13 28.1300 . . 1 . . . A 82 ILE CG1 . 25380 1 866 . 1 1 82 82 ILE CG2 C 13 17.4000 . . 1 . . . A 82 ILE CG2 . 25380 1 867 . 1 1 82 82 ILE N N 15 130.3920 . . 1 . . . A 82 ILE N . 25380 1 stop_ save_