data_25827 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25827 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for metal-binding domain 1 of ATP7B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-27 _Entry.Accession_date 2015-09-27 _Entry.Last_release_date 2016-03-28 _Entry.Original_release_date 2016-03-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Corey Yu . . . . 25827 2 Woonghee Lee . . . . 25827 3 Oleg Dmitriev . . . . 25827 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' . 25827 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'copper binding' . 25827 hydrolase . 25827 'metal-binding domain' . 25827 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25827 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 25827 '15N chemical shifts' 72 25827 '1H chemical shifts' 427 25827 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 . . 2016-03-28 . original BMRB . 25827 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N7Y 'BMRB Entry Tracking System' 25827 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25827 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Metal-binding domain 1 of ATP7B ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Corey Yu . . . . 25827 1 2 Woonghee Lee . . . . 25827 1 3 Oleg Dmitriev . . . . 25827 1 4 Corey Yu . . . . 25827 1 5 Woonghee Lee . . . . 25827 1 6 Oleg Dmitriev . . . . 25827 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25827 _Assembly.ID 1 _Assembly.Name 'metal-binding domain 1 of ATP7B' _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 . . . 25827 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25827 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; AGHMQVATSTVRILGMTCQS CVKSIEDRISNLKGIISMKV SLEQGSATVKYVPSVVCLQQ VCHQIGDMGFEASIAE ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8122.508 _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 . 25827 1 2 . GLY . 25827 1 3 . HIS . 25827 1 4 . MET . 25827 1 5 . GLN . 25827 1 6 . VAL . 25827 1 7 . ALA . 25827 1 8 . THR . 25827 1 9 . SER . 25827 1 10 . THR . 25827 1 11 . VAL . 25827 1 12 . ARG . 25827 1 13 . ILE . 25827 1 14 . LEU . 25827 1 15 . GLY . 25827 1 16 . MET . 25827 1 17 . THR . 25827 1 18 . CYS . 25827 1 19 . GLN . 25827 1 20 . SER . 25827 1 21 . CYS . 25827 1 22 . VAL . 25827 1 23 . LYS . 25827 1 24 . SER . 25827 1 25 . ILE . 25827 1 26 . GLU . 25827 1 27 . ASP . 25827 1 28 . ARG . 25827 1 29 . ILE . 25827 1 30 . SER . 25827 1 31 . ASN . 25827 1 32 . LEU . 25827 1 33 . LYS . 25827 1 34 . GLY . 25827 1 35 . ILE . 25827 1 36 . ILE . 25827 1 37 . SER . 25827 1 38 . MET . 25827 1 39 . LYS . 25827 1 40 . VAL . 25827 1 41 . SER . 25827 1 42 . LEU . 25827 1 43 . GLU . 25827 1 44 . GLN . 25827 1 45 . GLY . 25827 1 46 . SER . 25827 1 47 . ALA . 25827 1 48 . THR . 25827 1 49 . VAL . 25827 1 50 . LYS . 25827 1 51 . TYR . 25827 1 52 . VAL . 25827 1 53 . PRO . 25827 1 54 . SER . 25827 1 55 . VAL . 25827 1 56 . VAL . 25827 1 57 . CYS . 25827 1 58 . LEU . 25827 1 59 . GLN . 25827 1 60 . GLN . 25827 1 61 . VAL . 25827 1 62 . CYS . 25827 1 63 . HIS . 25827 1 64 . GLN . 25827 1 65 . ILE . 25827 1 66 . GLY . 25827 1 67 . ASP . 25827 1 68 . MET . 25827 1 69 . GLY . 25827 1 70 . PHE . 25827 1 71 . GLU . 25827 1 72 . ALA . 25827 1 73 . SER . 25827 1 74 . ILE . 25827 1 75 . ALA . 25827 1 76 . GLU . 25827 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 25827 1 . GLY 2 2 25827 1 . HIS 3 3 25827 1 . MET 4 4 25827 1 . GLN 5 5 25827 1 . VAL 6 6 25827 1 . ALA 7 7 25827 1 . THR 8 8 25827 1 . SER 9 9 25827 1 . THR 10 10 25827 1 . VAL 11 11 25827 1 . ARG 12 12 25827 1 . ILE 13 13 25827 1 . LEU 14 14 25827 1 . GLY 15 15 25827 1 . MET 16 16 25827 1 . THR 17 17 25827 1 . CYS 18 18 25827 1 . GLN 19 19 25827 1 . SER 20 20 25827 1 . CYS 21 21 25827 1 . VAL 22 22 25827 1 . LYS 23 23 25827 1 . SER 24 24 25827 1 . ILE 25 25 25827 1 . GLU 26 26 25827 1 . ASP 27 27 25827 1 . ARG 28 28 25827 1 . ILE 29 29 25827 1 . SER 30 30 25827 1 . ASN 31 31 25827 1 . LEU 32 32 25827 1 . LYS 33 33 25827 1 . GLY 34 34 25827 1 . ILE 35 35 25827 1 . ILE 36 36 25827 1 . SER 37 37 25827 1 . MET 38 38 25827 1 . LYS 39 39 25827 1 . VAL 40 40 25827 1 . SER 41 41 25827 1 . LEU 42 42 25827 1 . GLU 43 43 25827 1 . GLN 44 44 25827 1 . GLY 45 45 25827 1 . SER 46 46 25827 1 . ALA 47 47 25827 1 . THR 48 48 25827 1 . VAL 49 49 25827 1 . LYS 50 50 25827 1 . TYR 51 51 25827 1 . VAL 52 52 25827 1 . PRO 53 53 25827 1 . SER 54 54 25827 1 . VAL 55 55 25827 1 . VAL 56 56 25827 1 . CYS 57 57 25827 1 . LEU 58 58 25827 1 . GLN 59 59 25827 1 . GLN 60 60 25827 1 . VAL 61 61 25827 1 . CYS 62 62 25827 1 . HIS 63 63 25827 1 . GLN 64 64 25827 1 . ILE 65 65 25827 1 . GLY 66 66 25827 1 . ASP 67 67 25827 1 . MET 68 68 25827 1 . GLY 69 69 25827 1 . PHE 70 70 25827 1 . GLU 71 71 25827 1 . ALA 72 72 25827 1 . SER 73 73 25827 1 . ILE 74 74 25827 1 . ALA 75 75 25827 1 . GLU 76 76 25827 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 25827 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ATP7B . 25827 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 25827 _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' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pTYB12 . . . 25827 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25827 _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 entity '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25827 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25827 1 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25827 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 25827 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25827 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 25827 _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 25827 1 pH 7.4 . pH 25827 1 pressure 1 . atm 25827 1 temperature 298 . K 25827 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25827 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25827 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25827 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25827 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25827 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25827 2 stop_ save_ save_PONDEROSA_C-S _Software.Sf_category software _Software.Sf_framecode PONDEROSA_C-S _Software.Entry_ID 25827 _Software.ID 3 _Software.Name PONDEROSA_C-S _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PONDEROSA C/S (Woonghee Lee, Markley)' . . 25827 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25827 3 refinement 25827 3 'structure solution' 25827 3 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 25827 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 25827 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 25827 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 25827 _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 . . . . . . . . . . . . . . . . 25827 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25827 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 25827 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 25827 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25827 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25827 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 25827 _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 1 '2D 1H-15N HSQC' . . . 25827 1 3 '3D HNCA' . . . 25827 1 5 '3D HN(CO)CACB' . . . 25827 1 7 '3D C(CO)NH' . . . 25827 1 8 '3D H(CCO)NH' . . . 25827 1 9 '3D 1H-15N TOCSY' . . . 25827 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 2 $CARA . . 25827 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 ALA HA H 1 4.239 0.020 . 1 . . . A 1 ALA HA . 25827 1 2 . 1 1 1 1 ALA HB1 H 1 2.036 0.020 . 1 . . . A 1 ALA HB1 . 25827 1 3 . 1 1 1 1 ALA HB2 H 1 2.036 0.020 . 1 . . . A 1 ALA HB2 . 25827 1 4 . 1 1 1 1 ALA HB3 H 1 2.036 0.020 . 1 . . . A 1 ALA HB3 . 25827 1 5 . 1 1 2 2 GLY H H 1 8.539 0.020 . 1 . . . A 2 GLY H . 25827 1 6 . 1 1 2 2 GLY HA2 H 1 3.954 0.020 . 1 . . . A 2 GLY HA2 . 25827 1 7 . 1 1 2 2 GLY C C 13 174.061 0.300 . 1 . . . A 2 GLY C . 25827 1 8 . 1 1 2 2 GLY CA C 13 45.651 0.300 . 1 . . . A 2 GLY CA . 25827 1 9 . 1 1 2 2 GLY N N 15 109.659 0.300 . 1 . . . A 2 GLY N . 25827 1 10 . 1 1 3 3 HIS H H 1 8.030 0.020 . 1 . . . A 3 HIS H . 25827 1 11 . 1 1 3 3 HIS HA H 1 4.409 0.020 . 1 . . . A 3 HIS HA . 25827 1 12 . 1 1 3 3 HIS C C 13 176.072 0.300 . 1 . . . A 3 HIS C . 25827 1 13 . 1 1 3 3 HIS CA C 13 56.011 0.300 . 1 . . . A 3 HIS CA . 25827 1 14 . 1 1 3 3 HIS CB C 13 33.362 0.300 . 1 . . . A 3 HIS CB . 25827 1 15 . 1 1 3 3 HIS N N 15 120.603 0.300 . 1 . . . A 3 HIS N . 25827 1 16 . 1 1 4 4 MET H H 1 8.410 0.020 . 1 . . . A 4 MET H . 25827 1 17 . 1 1 4 4 MET C C 13 176.179 0.300 . 1 . . . A 4 MET C . 25827 1 18 . 1 1 4 4 MET CA C 13 61.071 0.300 . 1 . . . A 4 MET CA . 25827 1 19 . 1 1 4 4 MET CB C 13 38.720 0.300 . 1 . . . A 4 MET CB . 25827 1 20 . 1 1 4 4 MET N N 15 124.310 0.300 . 1 . . . A 4 MET N . 25827 1 21 . 1 1 5 5 GLN HA H 1 4.296 0.020 . 1 . . . A 5 GLN HA . 25827 1 22 . 1 1 5 5 GLN HB2 H 1 2.348 0.020 . 1 . . . A 5 GLN HB2 . 25827 1 23 . 1 1 5 5 GLN HG2 H 1 2.036 0.020 . 1 . . . A 5 GLN HG2 . 25827 1 24 . 1 1 5 5 GLN C C 13 174.687 0.300 . 1 . . . A 5 GLN C . 25827 1 25 . 1 1 5 5 GLN CA C 13 56.218 0.300 . 1 . . . A 5 GLN CA . 25827 1 26 . 1 1 5 5 GLN CB C 13 29.561 0.300 . 1 . . . A 5 GLN CB . 25827 1 27 . 1 1 5 5 GLN CG C 13 33.802 0.300 . 1 . . . A 5 GLN CG . 25827 1 28 . 1 1 6 6 VAL H H 1 7.942 0.020 . 1 . . . A 6 VAL H . 25827 1 29 . 1 1 6 6 VAL HA H 1 4.347 0.020 . 1 . . . A 6 VAL HA . 25827 1 30 . 1 1 6 6 VAL HB H 1 1.854 0.020 . 1 . . . A 6 VAL HB . 25827 1 31 . 1 1 6 6 VAL HG11 H 1 0.810 0.020 . 1 . . . A 6 VAL HG11 . 25827 1 32 . 1 1 6 6 VAL HG12 H 1 0.810 0.020 . 1 . . . A 6 VAL HG12 . 25827 1 33 . 1 1 6 6 VAL HG13 H 1 0.810 0.020 . 1 . . . A 6 VAL HG13 . 25827 1 34 . 1 1 6 6 VAL HG21 H 1 0.810 0.020 . 1 . . . A 6 VAL HG21 . 25827 1 35 . 1 1 6 6 VAL HG22 H 1 0.810 0.020 . 1 . . . A 6 VAL HG22 . 25827 1 36 . 1 1 6 6 VAL HG23 H 1 0.810 0.020 . 1 . . . A 6 VAL HG23 . 25827 1 37 . 1 1 6 6 VAL C C 13 174.807 0.300 . 1 . . . A 6 VAL C . 25827 1 38 . 1 1 6 6 VAL CA C 13 61.418 0.300 . 1 . . . A 6 VAL CA . 25827 1 39 . 1 1 6 6 VAL CB C 13 34.320 0.300 . 1 . . . A 6 VAL CB . 25827 1 40 . 1 1 6 6 VAL CG1 C 13 21.769 0.300 . 1 . . . A 6 VAL CG1 . 25827 1 41 . 1 1 6 6 VAL CG2 C 13 21.171 0.300 . 1 . . . A 6 VAL CG2 . 25827 1 42 . 1 1 6 6 VAL N N 15 120.095 0.300 . 1 . . . A 6 VAL N . 25827 1 43 . 1 1 7 7 ALA H H 1 8.952 0.020 . 1 . . . A 7 ALA H . 25827 1 44 . 1 1 7 7 ALA HA H 1 4.635 0.020 . 1 . . . A 7 ALA HA . 25827 1 45 . 1 1 7 7 ALA HB1 H 1 0.842 0.020 . 1 . . . A 7 ALA HB1 . 25827 1 46 . 1 1 7 7 ALA HB2 H 1 0.842 0.020 . 1 . . . A 7 ALA HB2 . 25827 1 47 . 1 1 7 7 ALA HB3 H 1 0.842 0.020 . 1 . . . A 7 ALA HB3 . 25827 1 48 . 1 1 7 7 ALA C C 13 174.913 0.300 . 1 . . . A 7 ALA C . 25827 1 49 . 1 1 7 7 ALA CA C 13 50.684 0.300 . 1 . . . A 7 ALA CA . 25827 1 50 . 1 1 7 7 ALA CB C 13 21.637 0.300 . 1 . . . A 7 ALA CB . 25827 1 51 . 1 1 7 7 ALA N N 15 130.230 0.300 . 1 . . . A 7 ALA N . 25827 1 52 . 1 1 8 8 THR H H 1 8.211 0.020 . 1 . . . A 8 THR H . 25827 1 53 . 1 1 8 8 THR HA H 1 5.594 0.020 . 1 . . . A 8 THR HA . 25827 1 54 . 1 1 8 8 THR HB H 1 3.910 0.020 . 1 . . . A 8 THR HB . 25827 1 55 . 1 1 8 8 THR HG21 H 1 1.119 0.020 . 1 . . . A 8 THR HG21 . 25827 1 56 . 1 1 8 8 THR HG22 H 1 1.119 0.020 . 1 . . . A 8 THR HG22 . 25827 1 57 . 1 1 8 8 THR HG23 H 1 1.119 0.020 . 1 . . . A 8 THR HG23 . 25827 1 58 . 1 1 8 8 THR C C 13 174.846 0.300 . 1 . . . A 8 THR C . 25827 1 59 . 1 1 8 8 THR CA C 13 61.524 0.300 . 1 . . . A 8 THR CA . 25827 1 60 . 1 1 8 8 THR CB C 13 71.228 0.300 . 1 . . . A 8 THR CB . 25827 1 61 . 1 1 8 8 THR CG2 C 13 21.171 0.300 . 1 . . . A 8 THR CG2 . 25827 1 62 . 1 1 8 8 THR N N 15 114.219 0.300 . 1 . . . A 8 THR N . 25827 1 63 . 1 1 9 9 SER H H 1 9.329 0.020 . 1 . . . A 9 SER H . 25827 1 64 . 1 1 9 9 SER HA H 1 5.049 0.020 . 1 . . . A 9 SER HA . 25827 1 65 . 1 1 9 9 SER HB2 H 1 3.855 0.020 . 1 . . . A 9 SER HB2 . 25827 1 66 . 1 1 9 9 SER HB3 H 1 3.642 0.020 . 1 . . . A 9 SER HB3 . 25827 1 67 . 1 1 9 9 SER HG H 1 5.040 0.020 . 1 . . . A 9 SER HG . 25827 1 68 . 1 1 9 9 SER C C 13 172.023 0.300 . 1 . . . A 9 SER C . 25827 1 69 . 1 1 9 9 SER CA C 13 57.822 0.300 . 1 . . . A 9 SER CA . 25827 1 70 . 1 1 9 9 SER CB C 13 67.178 0.300 . 1 . . . A 9 SER CB . 25827 1 71 . 1 1 9 9 SER N N 15 121.231 0.300 . 1 . . . A 9 SER N . 25827 1 72 . 1 1 10 10 THR H H 1 8.790 0.020 . 1 . . . A 10 THR H . 25827 1 73 . 1 1 10 10 THR HA H 1 5.423 0.020 . 1 . . . A 10 THR HA . 25827 1 74 . 1 1 10 10 THR HB H 1 3.995 0.020 . 1 . . . A 10 THR HB . 25827 1 75 . 1 1 10 10 THR HG1 H 1 4.795 0.020 . 1 . . . A 10 THR HG1 . 25827 1 76 . 1 1 10 10 THR HG21 H 1 1.140 0.020 . 1 . . . A 10 THR HG21 . 25827 1 77 . 1 1 10 10 THR HG22 H 1 1.140 0.020 . 1 . . . A 10 THR HG22 . 25827 1 78 . 1 1 10 10 THR HG23 H 1 1.140 0.020 . 1 . . . A 10 THR HG23 . 25827 1 79 . 1 1 10 10 THR C C 13 173.754 0.300 . 1 . . . A 10 THR C . 25827 1 80 . 1 1 10 10 THR CA C 13 61.591 0.300 . 1 . . . A 10 THR CA . 25827 1 81 . 1 1 10 10 THR CB C 13 70.230 0.300 . 1 . . . A 10 THR CB . 25827 1 82 . 1 1 10 10 THR CG2 C 13 21.570 0.300 . 1 . . . A 10 THR CG2 . 25827 1 83 . 1 1 10 10 THR N N 15 119.646 0.300 . 1 . . . A 10 THR N . 25827 1 84 . 1 1 11 11 VAL H H 1 8.973 0.020 . 1 . . . A 11 VAL H . 25827 1 85 . 1 1 11 11 VAL HA H 1 4.688 0.020 . 1 . . . A 11 VAL HA . 25827 1 86 . 1 1 11 11 VAL HB H 1 1.823 0.020 . 1 . . . A 11 VAL HB . 25827 1 87 . 1 1 11 11 VAL HG11 H 1 0.715 0.020 . 1 . . . A 11 VAL HG11 . 25827 1 88 . 1 1 11 11 VAL HG12 H 1 0.715 0.020 . 1 . . . A 11 VAL HG12 . 25827 1 89 . 1 1 11 11 VAL HG13 H 1 0.715 0.020 . 1 . . . A 11 VAL HG13 . 25827 1 90 . 1 1 11 11 VAL HG21 H 1 0.618 0.020 . 1 . . . A 11 VAL HG21 . 25827 1 91 . 1 1 11 11 VAL HG22 H 1 0.618 0.020 . 1 . . . A 11 VAL HG22 . 25827 1 92 . 1 1 11 11 VAL HG23 H 1 0.618 0.020 . 1 . . . A 11 VAL HG23 . 25827 1 93 . 1 1 11 11 VAL C C 13 174.940 0.300 . 1 . . . A 11 VAL C . 25827 1 94 . 1 1 11 11 VAL CA C 13 59.487 0.300 . 1 . . . A 11 VAL CA . 25827 1 95 . 1 1 11 11 VAL CB C 13 35.207 0.300 . 1 . . . A 11 VAL CB . 25827 1 96 . 1 1 11 11 VAL CG1 C 13 21.836 0.300 . 1 . . . A 11 VAL CG1 . 25827 1 97 . 1 1 11 11 VAL CG2 C 13 20.573 0.300 . 1 . . . A 11 VAL CG2 . 25827 1 98 . 1 1 11 11 VAL N N 15 122.726 0.300 . 1 . . . A 11 VAL N . 25827 1 99 . 1 1 12 12 ARG H H 1 9.274 0.020 . 1 . . . A 12 ARG H . 25827 1 100 . 1 1 12 12 ARG HA H 1 4.551 0.020 . 1 . . . A 12 ARG HA . 25827 1 101 . 1 1 12 12 ARG HB2 H 1 1.886 0.020 . 1 . . . A 12 ARG HB2 . 25827 1 102 . 1 1 12 12 ARG HB3 H 1 1.730 0.020 . 1 . . . A 12 ARG HB3 . 25827 1 103 . 1 1 12 12 ARG HG2 H 1 1.564 0.020 . 1 . . . A 12 ARG HG2 . 25827 1 104 . 1 1 12 12 ARG HG3 H 1 1.301 0.020 . 1 . . . A 12 ARG HG3 . 25827 1 105 . 1 1 12 12 ARG C C 13 175.632 0.300 . 1 . . . A 12 ARG C . 25827 1 106 . 1 1 12 12 ARG CA C 13 55.731 0.300 . 1 . . . A 12 ARG CA . 25827 1 107 . 1 1 12 12 ARG CB C 13 31.020 0.300 . 1 . . . A 12 ARG CB . 25827 1 108 . 1 1 12 12 ARG CG C 13 27.42 0.300 . 1 . . . A 12 ARG CG . 25827 1 109 . 1 1 12 12 ARG CD C 13 43.175 0.300 . 1 . . . A 12 ARG CD . 25827 1 110 . 1 1 12 12 ARG N N 15 127.240 0.300 . 1 . . . A 12 ARG N . 25827 1 111 . 1 1 13 13 ILE H H 1 8.210 0.020 . 1 . . . A 13 ILE H . 25827 1 112 . 1 1 13 13 ILE HA H 1 4.741 0.020 . 1 . . . A 13 ILE HA . 25827 1 113 . 1 1 13 13 ILE HB H 1 1.289 0.020 . 1 . . . A 13 ILE HB . 25827 1 114 . 1 1 13 13 ILE HG12 H 1 1.289 0.020 . 1 . . . A 13 ILE HG12 . 25827 1 115 . 1 1 13 13 ILE HG21 H 1 0.647 0.020 . 1 . . . A 13 ILE HG21 . 25827 1 116 . 1 1 13 13 ILE HG22 H 1 0.647 0.020 . 1 . . . A 13 ILE HG22 . 25827 1 117 . 1 1 13 13 ILE HG23 H 1 0.647 0.020 . 1 . . . A 13 ILE HG23 . 25827 1 118 . 1 1 13 13 ILE HD11 H 1 0.607 0.020 . 1 . . . A 13 ILE HD11 . 25827 1 119 . 1 1 13 13 ILE HD12 H 1 0.607 0.020 . 1 . . . A 13 ILE HD12 . 25827 1 120 . 1 1 13 13 ILE HD13 H 1 0.607 0.020 . 1 . . . A 13 ILE HD13 . 25827 1 121 . 1 1 13 13 ILE C C 13 174.540 0.300 . 1 . . . A 13 ILE C . 25827 1 122 . 1 1 13 13 ILE CA C 13 60.978 0.300 . 1 . . . A 13 ILE CA . 25827 1 123 . 1 1 13 13 ILE CB C 13 41.487 0.300 . 1 . . . A 13 ILE CB . 25827 1 124 . 1 1 13 13 ILE CG1 C 13 27.686 0.300 . 1 . . . A 13 ILE CG1 . 25827 1 125 . 1 1 13 13 ILE CG2 C 13 18.18 0.300 . 1 . . . A 13 ILE CG2 . 25827 1 126 . 1 1 13 13 ILE CD1 C 13 15.321 0.300 . 1 . . . A 13 ILE CD1 . 25827 1 127 . 1 1 13 13 ILE N N 15 123.234 0.300 . 1 . . . A 13 ILE N . 25827 1 128 . 1 1 14 14 LEU H H 1 9.146 0.020 . 1 . . . A 14 LEU H . 25827 1 129 . 1 1 14 14 LEU HA H 1 4.765 0.020 . 1 . . . A 14 LEU HA . 25827 1 130 . 1 1 14 14 LEU HB2 H 1 1.822 0.020 . 1 . . . A 14 LEU HB2 . 25827 1 131 . 1 1 14 14 LEU HB3 H 1 1.662 0.020 . 1 . . . A 14 LEU HB3 . 25827 1 132 . 1 1 14 14 LEU HD11 H 1 0.941 0.020 . 1 . . . A 14 LEU HD11 . 25827 1 133 . 1 1 14 14 LEU HD12 H 1 0.941 0.020 . 1 . . . A 14 LEU HD12 . 25827 1 134 . 1 1 14 14 LEU HD13 H 1 0.941 0.020 . 1 . . . A 14 LEU HD13 . 25827 1 135 . 1 1 14 14 LEU HD21 H 1 0.901 0.020 . 1 . . . A 14 LEU HD21 . 25827 1 136 . 1 1 14 14 LEU HD22 H 1 0.901 0.020 . 1 . . . A 14 LEU HD22 . 25827 1 137 . 1 1 14 14 LEU HD23 H 1 0.901 0.020 . 1 . . . A 14 LEU HD23 . 25827 1 138 . 1 1 14 14 LEU C C 13 177.391 0.300 . 1 . . . A 14 LEU C . 25827 1 139 . 1 1 14 14 LEU CA C 13 54.107 0.300 . 1 . . . A 14 LEU CA . 25827 1 140 . 1 1 14 14 LEU CB C 13 43.616 0.300 . 1 . . . A 14 LEU CB . 25827 1 141 . 1 1 14 14 LEU CG C 13 27.619 0.300 . 1 . . . A 14 LEU CG . 25827 1 142 . 1 1 14 14 LEU CD1 C 13 25.093 0.300 . 1 . . . A 14 LEU CD1 . 25827 1 143 . 1 1 14 14 LEU CD2 C 13 23.165 0.300 . 1 . . . A 14 LEU CD2 . 25827 1 144 . 1 1 14 14 LEU N N 15 128.287 0.300 . 1 . . . A 14 LEU N . 25827 1 145 . 1 1 15 15 GLY H H 1 8.515 0.020 . 1 . . . A 15 GLY H . 25827 1 146 . 1 1 15 15 GLY HA2 H 1 4.699 0.020 . 1 . . . A 15 GLY HA2 . 25827 1 147 . 1 1 15 15 GLY HA3 H 1 3.713 0.020 . 1 . . . A 15 GLY HA3 . 25827 1 148 . 1 1 15 15 GLY C C 13 175.726 0.300 . 1 . . . A 15 GLY C . 25827 1 149 . 1 1 15 15 GLY CA C 13 45.344 0.300 . 1 . . . A 15 GLY CA . 25827 1 150 . 1 1 15 15 GLY N N 15 107.835 0.300 . 1 . . . A 15 GLY N . 25827 1 151 . 1 1 16 16 MET H H 1 8.925 0.020 . 1 . . . A 16 MET H . 25827 1 152 . 1 1 16 16 MET HA H 1 4.699 0.020 . 1 . . . A 16 MET HA . 25827 1 153 . 1 1 16 16 MET HB2 H 1 2.052 0.020 . 1 . . . A 16 MET HB2 . 25827 1 154 . 1 1 16 16 MET HG2 H 1 2.374 0.020 . 1 . . . A 16 MET HG2 . 25827 1 155 . 1 1 16 16 MET HE1 H 1 1.906 0.020 . 1 . . . A 16 MET HE1 . 25827 1 156 . 1 1 16 16 MET HE2 H 1 1.906 0.020 . 1 . . . A 16 MET HE2 . 25827 1 157 . 1 1 16 16 MET HE3 H 1 1.906 0.020 . 1 . . . A 16 MET HE3 . 25827 1 158 . 1 1 16 16 MET C C 13 177.404 0.300 . 1 . . . A 16 MET C . 25827 1 159 . 1 1 16 16 MET CA C 13 57.116 0.300 . 1 . . . A 16 MET CA . 25827 1 160 . 1 1 16 16 MET CB C 13 34.852 0.300 . 1 . . . A 16 MET CB . 25827 1 161 . 1 1 16 16 MET N N 15 120.244 0.300 . 1 . . . A 16 MET N . 25827 1 162 . 1 1 17 17 THR C C 13 174.700 0.300 . 1 . . . A 17 THR C . 25827 1 163 . 1 1 17 17 THR CA C 13 62.736 0.300 . 1 . . . A 17 THR CA . 25827 1 164 . 1 1 17 17 THR CB C 13 64.427 0.300 . 1 . . . A 17 THR CB . 25827 1 165 . 1 1 17 17 THR CG2 C 13 21.304 0.300 . 1 . . . A 17 THR CG2 . 25827 1 166 . 1 1 18 18 CYS H H 1 8.691 0.020 . 1 . . . A 18 CYS H . 25827 1 167 . 1 1 18 18 CYS HA H 1 4.423 0.020 . 1 . . . A 18 CYS HA . 25827 1 168 . 1 1 18 18 CYS HG H 1 1.680 0.020 . 1 . . . A 18 CYS HG . 25827 1 169 . 1 1 18 18 CYS C C 13 177.431 0.300 . 1 . . . A 18 CYS C . 25827 1 170 . 1 1 18 18 CYS CA C 13 55.507 0.300 . 1 . . . A 18 CYS CA . 25827 1 171 . 1 1 18 18 CYS CB C 13 42.264 0.300 . 1 . . . A 18 CYS CB . 25827 1 172 . 1 1 18 18 CYS N N 15 120.513 0.300 . 1 . . . A 18 CYS N . 25827 1 173 . 1 1 19 19 GLN H H 1 8.342 0.020 . 1 . . . A 19 GLN H . 25827 1 174 . 1 1 19 19 GLN HA H 1 4.338 0.020 . 1 . . . A 19 GLN HA . 25827 1 175 . 1 1 19 19 GLN HB2 H 1 1.936 0.020 . 1 . . . A 19 GLN HB2 . 25827 1 176 . 1 1 19 19 GLN HB3 H 1 2.107 0.020 . 1 . . . A 19 GLN HB3 . 25827 1 177 . 1 1 19 19 GLN C C 13 175.832 0.300 . 1 . . . A 19 GLN C . 25827 1 178 . 1 1 19 19 GLN CA C 13 56.583 0.300 . 1 . . . A 19 GLN CA . 25827 1 179 . 1 1 19 19 GLN CB C 13 30.678 0.300 . 1 . . . A 19 GLN CB . 25827 1 180 . 1 1 19 19 GLN CG C 13 36.261 0.300 . 1 . . . A 19 GLN CG . 25827 1 181 . 1 1 19 19 GLN N N 15 121.231 0.300 . 1 . . . A 19 GLN N . 25827 1 182 . 1 1 20 20 SER H H 1 7.953 0.020 . 1 . . . A 20 SER H . 25827 1 183 . 1 1 20 20 SER HA H 1 4.381 0.020 . 1 . . . A 20 SER HA . 25827 1 184 . 1 1 20 20 SER HB2 H 1 3.761 0.020 . 1 . . . A 20 SER HB2 . 25827 1 185 . 1 1 20 20 SER C C 13 177.004 0.300 . 1 . . . A 20 SER C . 25827 1 186 . 1 1 20 20 SER N N 15 116.089 0.300 . 1 . . . A 20 SER N . 25827 1 187 . 1 1 21 21 CYS H H 1 7.854 0.020 . 1 . . . A 21 CYS H . 25827 1 188 . 1 1 21 21 CYS HA H 1 4.082 0.020 . 1 . . . A 21 CYS HA . 25827 1 189 . 1 1 21 21 CYS HB2 H 1 3.244 0.020 . 1 . . . A 21 CYS HB2 . 25827 1 190 . 1 1 21 21 CYS HB3 H 1 2.881 0.020 . 1 . . . A 21 CYS HB3 . 25827 1 191 . 1 1 21 21 CYS HG H 1 2.359 0.020 . 1 . . . A 21 CYS HG . 25827 1 192 . 1 1 21 21 CYS C C 13 177.004 0.300 . 1 . . . A 21 CYS C . 25827 1 193 . 1 1 21 21 CYS CA C 13 63.162 0.300 . 1 . . . A 21 CYS CA . 25827 1 194 . 1 1 21 21 CYS CB C 13 28.854 0.300 . 1 . . . A 21 CYS CB . 25827 1 195 . 1 1 21 21 CYS N N 15 125.147 0.300 . 1 . . . A 21 CYS N . 25827 1 196 . 1 1 22 22 VAL H H 1 6.834 0.020 . 1 . . . A 22 VAL H . 25827 1 197 . 1 1 22 22 VAL HA H 1 4.352 0.020 . 1 . . . A 22 VAL HA . 25827 1 198 . 1 1 22 22 VAL HG11 H 1 0.941 0.020 . 1 . . . A 22 VAL HG11 . 25827 1 199 . 1 1 22 22 VAL HG12 H 1 0.941 0.020 . 1 . . . A 22 VAL HG12 . 25827 1 200 . 1 1 22 22 VAL HG13 H 1 0.941 0.020 . 1 . . . A 22 VAL HG13 . 25827 1 201 . 1 1 22 22 VAL HG21 H 1 0.882 0.020 . 1 . . . A 22 VAL HG21 . 25827 1 202 . 1 1 22 22 VAL HG22 H 1 0.882 0.020 . 1 . . . A 22 VAL HG22 . 25827 1 203 . 1 1 22 22 VAL HG23 H 1 0.882 0.020 . 1 . . . A 22 VAL HG23 . 25827 1 204 . 1 1 22 22 VAL C C 13 177.178 0.300 . 1 . . . A 22 VAL C . 25827 1 205 . 1 1 22 22 VAL CA C 13 66.545 0.300 . 1 . . . A 22 VAL CA . 25827 1 206 . 1 1 22 22 VAL CB C 13 31.730 0.300 . 1 . . . A 22 VAL CB . 25827 1 207 . 1 1 22 22 VAL CG1 C 13 21.178 0.300 . 1 . . . A 22 VAL CG1 . 25827 1 208 . 1 1 22 22 VAL CG2 C 13 23.364 0.300 . 1 . . . A 22 VAL CG2 . 25827 1 209 . 1 1 22 22 VAL N N 15 118.062 0.300 . 1 . . . A 22 VAL N . 25827 1 210 . 1 1 23 23 LYS H H 1 7.936 0.020 . 1 . . . A 23 LYS H . 25827 1 211 . 1 1 23 23 LYS HA H 1 4.082 0.020 . 1 . . . A 23 LYS HA . 25827 1 212 . 1 1 23 23 LYS HB2 H 1 1.922 0.020 . 1 . . . A 23 LYS HB2 . 25827 1 213 . 1 1 23 23 LYS HD2 H 1 1.554 0.020 . 1 . . . A 23 LYS HD2 . 25827 1 214 . 1 1 23 23 LYS HD3 H 1 1.467 0.020 . 1 . . . A 23 LYS HD3 . 25827 1 215 . 1 1 23 23 LYS HE2 H 1 2.364 0.020 . 1 . . . A 23 LYS HE2 . 25827 1 216 . 1 1 23 23 LYS C C 13 178.456 0.300 . 1 . . . A 23 LYS C . 25827 1 217 . 1 1 23 23 LYS CA C 13 58.794 0.300 . 1 . . . A 23 LYS CA . 25827 1 218 . 1 1 23 23 LYS CB C 13 32.439 0.300 . 1 . . . A 23 LYS CB . 25827 1 219 . 1 1 23 23 LYS CG C 13 24.827 0.300 . 1 . . . A 23 LYS CG . 25827 1 220 . 1 1 23 23 LYS CD C 13 28.882 0.300 . 1 . . . A 23 LYS CD . 25827 1 221 . 1 1 23 23 LYS CE C 13 42.311 0.300 . 1 . . . A 23 LYS CE . 25827 1 222 . 1 1 23 23 LYS N N 15 117.823 0.300 . 1 . . . A 23 LYS N . 25827 1 223 . 1 1 24 24 SER H H 1 8.062 0.020 . 1 . . . A 24 SER H . 25827 1 224 . 1 1 24 24 SER HA H 1 4.068 0.020 . 1 . . . A 24 SER HA . 25827 1 225 . 1 1 24 24 SER HB2 H 1 4.072 0.020 . 1 . . . A 24 SER HB2 . 25827 1 226 . 1 1 24 24 SER HB3 H 1 4.012 0.020 . 1 . . . A 24 SER HB3 . 25827 1 227 . 1 1 24 24 SER C C 13 177.364 0.300 . 1 . . . A 24 SER C . 25827 1 228 . 1 1 24 24 SER CA C 13 62.017 0.300 . 1 . . . A 24 SER CA . 25827 1 229 . 1 1 24 24 SER CB C 13 62.600 0.300 . 1 . . . A 24 SER CB . 25827 1 230 . 1 1 24 24 SER N N 15 113.895 0.300 . 1 . . . A 24 SER N . 25827 1 231 . 1 1 25 25 ILE H H 1 7.888 0.020 . 1 . . . A 25 ILE H . 25827 1 232 . 1 1 25 25 ILE HA H 1 3.542 0.020 . 1 . . . A 25 ILE HA . 25827 1 233 . 1 1 25 25 ILE HB H 1 1.638 0.020 . 1 . . . A 25 ILE HB . 25827 1 234 . 1 1 25 25 ILE HD11 H 1 0.589 0.020 . 1 . . . A 25 ILE HD11 . 25827 1 235 . 1 1 25 25 ILE HD12 H 1 0.589 0.020 . 1 . . . A 25 ILE HD12 . 25827 1 236 . 1 1 25 25 ILE HD13 H 1 0.589 0.020 . 1 . . . A 25 ILE HD13 . 25827 1 237 . 1 1 25 25 ILE C C 13 177.537 0.300 . 1 . . . A 25 ILE C . 25827 1 238 . 1 1 25 25 ILE CA C 13 66.012 0.300 . 1 . . . A 25 ILE CA . 25827 1 239 . 1 1 25 25 ILE CB C 13 38.791 0.300 . 1 . . . A 25 ILE CB . 25827 1 240 . 1 1 25 25 ILE CG1 C 13 29.414 0.300 . 1 . . . A 25 ILE CG1 . 25827 1 241 . 1 1 25 25 ILE CG2 C 13 18.180 0.300 . 1 . . . A 25 ILE CG2 . 25827 1 242 . 1 1 25 25 ILE CD1 C 13 14.058 0.300 . 1 . . . A 25 ILE CD1 . 25827 1 243 . 1 1 25 25 ILE N N 15 122.845 0.300 . 1 . . . A 25 ILE N . 25827 1 244 . 1 1 26 26 GLU H H 1 8.519 0.020 . 1 . . . A 26 GLU H . 25827 1 245 . 1 1 26 26 GLU HA H 1 3.628 0.020 . 1 . . . A 26 GLU HA . 25827 1 246 . 1 1 26 26 GLU HB2 H 1 2.032 0.020 . 1 . . . A 26 GLU HB2 . 25827 1 247 . 1 1 26 26 GLU HG2 H 1 2.150 0.020 . 1 . . . A 26 GLU HG2 . 25827 1 248 . 1 1 26 26 GLU C C 13 180.041 0.300 . 1 . . . A 26 GLU C . 25827 1 249 . 1 1 26 26 GLU CA C 13 61.178 0.300 . 1 . . . A 26 GLU CA . 25827 1 250 . 1 1 26 26 GLU CB C 13 29.601 0.300 . 1 . . . A 26 GLU CB . 25827 1 251 . 1 1 26 26 GLU CG C 13 38.322 0.300 . 1 . . . A 26 GLU CG . 25827 1 252 . 1 1 26 26 GLU N N 15 118.630 0.300 . 1 . . . A 26 GLU N . 25827 1 253 . 1 1 27 27 ASP H H 1 8.973 0.020 . 1 . . . A 27 ASP H . 25827 1 254 . 1 1 27 27 ASP HA H 1 4.338 0.020 . 1 . . . A 27 ASP HA . 25827 1 255 . 1 1 27 27 ASP HB2 H 1 2.832 0.020 . 1 . . . A 27 ASP HB2 . 25827 1 256 . 1 1 27 27 ASP HB3 H 1 2.633 0.020 . 1 . . . A 27 ASP HB3 . 25827 1 257 . 1 1 27 27 ASP C C 13 178.070 0.300 . 1 . . . A 27 ASP C . 25827 1 258 . 1 1 27 27 ASP CA C 13 57.529 0.300 . 1 . . . A 27 ASP CA . 25827 1 259 . 1 1 27 27 ASP CB C 13 40.423 0.300 . 1 . . . A 27 ASP CB . 25827 1 260 . 1 1 27 27 ASP N N 15 119.676 0.300 . 1 . . . A 27 ASP N . 25827 1 261 . 1 1 28 28 ARG H H 1 7.630 0.020 . 1 . . . A 28 ARG H . 25827 1 262 . 1 1 28 28 ARG HA H 1 4.181 0.020 . 1 . . . A 28 ARG HA . 25827 1 263 . 1 1 28 28 ARG HB2 H 1 2.072 0.020 . 1 . . . A 28 ARG HB2 . 25827 1 264 . 1 1 28 28 ARG HB3 H 1 1.915 0.020 . 1 . . . A 28 ARG HB3 . 25827 1 265 . 1 1 28 28 ARG HD2 H 1 3.525 0.020 . 1 . . . A 28 ARG HD2 . 25827 1 266 . 1 1 28 28 ARG C C 13 179.296 0.300 . 1 . . . A 28 ARG C . 25827 1 267 . 1 1 28 28 ARG CA C 13 58.595 0.300 . 1 . . . A 28 ARG CA . 25827 1 268 . 1 1 28 28 ARG CB C 13 30.310 0.300 . 1 . . . A 28 ARG CB . 25827 1 269 . 1 1 28 28 ARG CG C 13 27.088 0.300 . 1 . . . A 28 ARG CG . 25827 1 270 . 1 1 28 28 ARG CD C 13 42.510 0.300 . 1 . . . A 28 ARG CD . 25827 1 271 . 1 1 28 28 ARG N N 15 118.092 0.300 . 1 . . . A 28 ARG N . 25827 1 272 . 1 1 29 29 ILE H H 1 8.427 0.020 . 1 . . . A 29 ILE H . 25827 1 273 . 1 1 29 29 ILE HA H 1 3.947 0.020 . 1 . . . A 29 ILE HA . 25827 1 274 . 1 1 29 29 ILE HB H 1 1.798 0.020 . 1 . . . A 29 ILE HB . 25827 1 275 . 1 1 29 29 ILE HG12 H 1 1.028 0.020 . 1 . . . A 29 ILE HG12 . 25827 1 276 . 1 1 29 29 ILE HG13 H 1 0.920 0.020 . 1 . . . A 29 ILE HG13 . 25827 1 277 . 1 1 29 29 ILE HG21 H 1 0.725 0.020 . 1 . . . A 29 ILE HG21 . 25827 1 278 . 1 1 29 29 ILE HG22 H 1 0.725 0.020 . 1 . . . A 29 ILE HG22 . 25827 1 279 . 1 1 29 29 ILE HG23 H 1 0.725 0.020 . 1 . . . A 29 ILE HG23 . 25827 1 280 . 1 1 29 29 ILE HD11 H 1 0.589 0.020 . 1 . . . A 29 ILE HD11 . 25827 1 281 . 1 1 29 29 ILE HD12 H 1 0.589 0.020 . 1 . . . A 29 ILE HD12 . 25827 1 282 . 1 1 29 29 ILE HD13 H 1 0.589 0.020 . 1 . . . A 29 ILE HD13 . 25827 1 283 . 1 1 29 29 ILE C C 13 177.777 0.300 . 1 . . . A 29 ILE C . 25827 1 284 . 1 1 29 29 ILE CA C 13 60.685 0.300 . 1 . . . A 29 ILE CA . 25827 1 285 . 1 1 29 29 ILE CB C 13 35.278 0.300 . 1 . . . A 29 ILE CB . 25827 1 286 . 1 1 29 29 ILE CG1 C 13 28.085 0.300 . 1 . . . A 29 ILE CG1 . 25827 1 287 . 1 1 29 29 ILE CG2 C 13 19.576 0.300 . 1 . . . A 29 ILE CG2 . 25827 1 288 . 1 1 29 29 ILE CD1 C 13 9.338 0.300 . 1 . . . A 29 ILE CD1 . 25827 1 289 . 1 1 29 29 ILE N N 15 116.597 0.300 . 1 . . . A 29 ILE N . 25827 1 290 . 1 1 30 30 SER H H 1 8.236 0.020 . 1 . . . A 30 SER H . 25827 1 291 . 1 1 30 30 SER HA H 1 4.049 0.020 . 1 . . . A 30 SER HA . 25827 1 292 . 1 1 30 30 SER HB2 H 1 3.603 0.020 . 1 . . . A 30 SER HB2 . 25827 1 293 . 1 1 30 30 SER HG H 1 5.370 0.020 . 1 . . . A 30 SER HG . 25827 1 294 . 1 1 30 30 SER C C 13 173.941 0.300 . 1 . . . A 30 SER C . 25827 1 295 . 1 1 30 30 SER CA C 13 62.110 0.300 . 1 . . . A 30 SER CA . 25827 1 296 . 1 1 30 30 SER CB C 13 62.884 0.300 . 1 . . . A 30 SER CB . 25827 1 297 . 1 1 30 30 SER N N 15 113.160 0.300 . 1 . . . A 30 SER N . 25827 1 298 . 1 1 31 31 ASN H H 1 6.919 0.020 . 1 . . . A 31 ASN H . 25827 1 299 . 1 1 31 31 ASN HA H 1 4.774 0.020 . 1 . . . A 31 ASN HA . 25827 1 300 . 1 1 31 31 ASN HB2 H 1 2.941 0.020 . 1 . . . A 31 ASN HB2 . 25827 1 301 . 1 1 31 31 ASN HB3 H 1 2.674 0.020 . 1 . . . A 31 ASN HB3 . 25827 1 302 . 1 1 31 31 ASN C C 13 175.046 0.300 . 1 . . . A 31 ASN C . 25827 1 303 . 1 1 31 31 ASN CA C 13 53.547 0.300 . 1 . . . A 31 ASN CA . 25827 1 304 . 1 1 31 31 ASN CB C 13 39.997 0.300 . 1 . . . A 31 ASN CB . 25827 1 305 . 1 1 31 31 ASN N N 15 115.520 0.300 . 1 . . . A 31 ASN N . 25827 1 306 . 1 1 32 32 LEU H H 1 7.620 0.020 . 1 . . . A 32 LEU H . 25827 1 307 . 1 1 32 32 LEU HA H 1 4.336 0.020 . 1 . . . A 32 LEU HA . 25827 1 308 . 1 1 32 32 LEU HB2 H 1 1.886 0.020 . 1 . . . A 32 LEU HB2 . 25827 1 309 . 1 1 32 32 LEU HB3 H 1 1.661 0.020 . 1 . . . A 32 LEU HB3 . 25827 1 310 . 1 1 32 32 LEU HG H 1 1.369 0.020 . 1 . . . A 32 LEU HG . 25827 1 311 . 1 1 32 32 LEU HD11 H 1 0.852 0.020 . 1 . . . A 32 LEU HD11 . 25827 1 312 . 1 1 32 32 LEU HD12 H 1 0.852 0.020 . 1 . . . A 32 LEU HD12 . 25827 1 313 . 1 1 32 32 LEU HD13 H 1 0.852 0.020 . 1 . . . A 32 LEU HD13 . 25827 1 314 . 1 1 32 32 LEU HD21 H 1 0.745 0.020 . 1 . . . A 32 LEU HD21 . 25827 1 315 . 1 1 32 32 LEU HD22 H 1 0.745 0.020 . 1 . . . A 32 LEU HD22 . 25827 1 316 . 1 1 32 32 LEU HD23 H 1 0.745 0.020 . 1 . . . A 32 LEU HD23 . 25827 1 317 . 1 1 32 32 LEU C C 13 177.071 0.300 . 1 . . . A 32 LEU C . 25827 1 318 . 1 1 32 32 LEU CA C 13 54.839 0.300 . 1 . . . A 32 LEU CA . 25827 1 319 . 1 1 32 32 LEU CB C 13 41.807 0.300 . 1 . . . A 32 LEU CB . 25827 1 320 . 1 1 32 32 LEU CG C 13 26.423 0.300 . 1 . . . A 32 LEU CG . 25827 1 321 . 1 1 32 32 LEU CD1 C 13 23.697 0.300 . 1 . . . A 32 LEU CD1 . 25827 1 322 . 1 1 32 32 LEU CD2 C 13 24.960 0.300 . 1 . . . A 32 LEU CD2 . 25827 1 323 . 1 1 32 32 LEU N N 15 122.666 0.300 . 1 . . . A 32 LEU N . 25827 1 324 . 1 1 33 33 LYS H H 1 8.451 0.020 . 1 . . . A 33 LYS H . 25827 1 325 . 1 1 33 33 LYS HA H 1 4.054 0.020 . 1 . . . A 33 LYS HA . 25827 1 326 . 1 1 33 33 LYS HB2 H 1 1.818 0.020 . 1 . . . A 33 LYS HB2 . 25827 1 327 . 1 1 33 33 LYS HB3 H 1 1.720 0.020 . 1 . . . A 33 LYS HB3 . 25827 1 328 . 1 1 33 33 LYS HG2 H 1 1.545 0.020 . 1 . . . A 33 LYS HG2 . 25827 1 329 . 1 1 33 33 LYS HG3 H 1 1.398 0.020 . 1 . . . A 33 LYS HG3 . 25827 1 330 . 1 1 33 33 LYS C C 13 176.698 0.300 . 1 . . . A 33 LYS C . 25827 1 331 . 1 1 33 33 LYS CA C 13 57.982 0.300 . 1 . . . A 33 LYS CA . 25827 1 332 . 1 1 33 33 LYS CB C 13 31.942 0.300 . 1 . . . A 33 LYS CB . 25827 1 333 . 1 1 33 33 LYS CG C 13 24.694 0.300 . 1 . . . A 33 LYS CG . 25827 1 334 . 1 1 33 33 LYS CD C 13 29.281 0.300 . 1 . . . A 33 LYS CD . 25827 1 335 . 1 1 33 33 LYS CE C 13 42.111 0.300 . 1 . . . A 33 LYS CE . 25827 1 336 . 1 1 33 33 LYS N N 15 125.955 0.300 . 1 . . . A 33 LYS N . 25827 1 337 . 1 1 34 34 GLY H H 1 8.616 0.020 . 1 . . . A 34 GLY H . 25827 1 338 . 1 1 34 34 GLY HA2 H 1 4.272 0.020 . 1 . . . A 34 GLY HA2 . 25827 1 339 . 1 1 34 34 GLY HA3 H 1 3.527 0.020 . 1 . . . A 34 GLY HA3 . 25827 1 340 . 1 1 34 34 GLY C C 13 173.381 0.300 . 1 . . . A 34 GLY C . 25827 1 341 . 1 1 34 34 GLY CA C 13 45.544 0.300 . 1 . . . A 34 GLY CA . 25827 1 342 . 1 1 34 34 GLY N N 15 110.541 0.300 . 1 . . . A 34 GLY N . 25827 1 343 . 1 1 35 35 ILE H H 1 7.580 0.020 . 1 . . . A 35 ILE H . 25827 1 344 . 1 1 35 35 ILE HA H 1 4.272 0.020 . 1 . . . A 35 ILE HA . 25827 1 345 . 1 1 35 35 ILE HB H 1 2.440 0.020 . 1 . . . A 35 ILE HB . 25827 1 346 . 1 1 35 35 ILE HG12 H 1 1.379 0.020 . 1 . . . A 35 ILE HG12 . 25827 1 347 . 1 1 35 35 ILE HG21 H 1 0.735 0.020 . 1 . . . A 35 ILE HG21 . 25827 1 348 . 1 1 35 35 ILE HG22 H 1 0.735 0.020 . 1 . . . A 35 ILE HG22 . 25827 1 349 . 1 1 35 35 ILE HG23 H 1 0.735 0.020 . 1 . . . A 35 ILE HG23 . 25827 1 350 . 1 1 35 35 ILE HD11 H 1 0.481 0.020 . 1 . . . A 35 ILE HD11 . 25827 1 351 . 1 1 35 35 ILE HD12 H 1 0.481 0.020 . 1 . . . A 35 ILE HD12 . 25827 1 352 . 1 1 35 35 ILE HD13 H 1 0.481 0.020 . 1 . . . A 35 ILE HD13 . 25827 1 353 . 1 1 35 35 ILE C C 13 176.352 0.300 . 1 . . . A 35 ILE C . 25827 1 354 . 1 1 35 35 ILE CA C 13 58.608 0.300 . 1 . . . A 35 ILE CA . 25827 1 355 . 1 1 35 35 ILE CB C 13 35.029 0.300 . 1 . . . A 35 ILE CB . 25827 1 356 . 1 1 35 35 ILE CG1 C 13 25.025 0.300 . 1 . . . A 35 ILE CG1 . 25827 1 357 . 1 1 35 35 ILE CG2 C 13 16.917 0.300 . 1 . . . A 35 ILE CG2 . 25827 1 358 . 1 1 35 35 ILE CD1 C 13 9.272 0.300 . 1 . . . A 35 ILE CD1 . 25827 1 359 . 1 1 35 35 ILE N N 15 119.258 0.300 . 1 . . . A 35 ILE N . 25827 1 360 . 1 1 36 36 ILE H H 1 9.244 0.020 . 1 . . . A 36 ILE H . 25827 1 361 . 1 1 36 36 ILE HA H 1 4.081 0.020 . 1 . . . A 36 ILE HA . 25827 1 362 . 1 1 36 36 ILE HB H 1 1.502 0.020 . 1 . . . A 36 ILE HB . 25827 1 363 . 1 1 36 36 ILE HG12 H 1 1.223 0.020 . 1 . . . A 36 ILE HG12 . 25827 1 364 . 1 1 36 36 ILE HG21 H 1 0.884 0.020 . 1 . . . A 36 ILE HG21 . 25827 1 365 . 1 1 36 36 ILE HG22 H 1 0.884 0.020 . 1 . . . A 36 ILE HG22 . 25827 1 366 . 1 1 36 36 ILE HG23 H 1 0.884 0.020 . 1 . . . A 36 ILE HG23 . 25827 1 367 . 1 1 36 36 ILE HD11 H 1 0.462 0.020 . 1 . . . A 36 ILE HD11 . 25827 1 368 . 1 1 36 36 ILE HD12 H 1 0.462 0.020 . 1 . . . A 36 ILE HD12 . 25827 1 369 . 1 1 36 36 ILE HD13 H 1 0.462 0.020 . 1 . . . A 36 ILE HD13 . 25827 1 370 . 1 1 36 36 ILE C C 13 176.298 0.300 . 1 . . . A 36 ILE C . 25827 1 371 . 1 1 36 36 ILE CA C 13 61.791 0.300 . 1 . . . A 36 ILE CA . 25827 1 372 . 1 1 36 36 ILE CB C 13 38.152 0.300 . 1 . . . A 36 ILE CB . 25827 1 373 . 1 1 36 36 ILE CG1 C 13 28.018 0.300 . 1 . . . A 36 ILE CG1 . 25827 1 374 . 1 1 36 36 ILE CG2 C 13 16.917 0.300 . 1 . . . A 36 ILE CG2 . 25827 1 375 . 1 1 36 36 ILE CD1 C 13 12.064 0.300 . 1 . . . A 36 ILE CD1 . 25827 1 376 . 1 1 36 36 ILE N N 15 130.708 0.300 . 1 . . . A 36 ILE N . 25827 1 377 . 1 1 37 37 SER H H 1 8.002 0.020 . 1 . . . A 37 SER H . 25827 1 378 . 1 1 37 37 SER HA H 1 4.613 0.020 . 1 . . . A 37 SER HA . 25827 1 379 . 1 1 37 37 SER HB2 H 1 3.804 0.020 . 1 . . . A 37 SER HB2 . 25827 1 380 . 1 1 37 37 SER HG H 1 5.551 0.020 . 1 . . . A 37 SER HG . 25827 1 381 . 1 1 37 37 SER C C 13 171.809 0.300 . 1 . . . A 37 SER C . 25827 1 382 . 1 1 37 37 SER CA C 13 57.636 0.300 . 1 . . . A 37 SER CA . 25827 1 383 . 1 1 37 37 SER CB C 13 64.729 0.300 . 1 . . . A 37 SER CB . 25827 1 384 . 1 1 37 37 SER N N 15 111.336 0.300 . 1 . . . A 37 SER N . 25827 1 385 . 1 1 38 38 MET H H 1 8.651 0.020 . 1 . . . A 38 MET H . 25827 1 386 . 1 1 38 38 MET HA H 1 5.006 0.020 . 1 . . . A 38 MET HA . 25827 1 387 . 1 1 38 38 MET HB2 H 1 2.269 0.020 . 1 . . . A 38 MET HB2 . 25827 1 388 . 1 1 38 38 MET HB3 H 1 2.088 0.020 . 1 . . . A 38 MET HB3 . 25827 1 389 . 1 1 38 38 MET HE1 H 1 1.701 0.020 . 1 . . . A 38 MET HE1 . 25827 1 390 . 1 1 38 38 MET HE2 H 1 1.701 0.020 . 1 . . . A 38 MET HE2 . 25827 1 391 . 1 1 38 38 MET HE3 H 1 1.701 0.020 . 1 . . . A 38 MET HE3 . 25827 1 392 . 1 1 38 38 MET C C 13 172.755 0.300 . 1 . . . A 38 MET C . 25827 1 393 . 1 1 38 38 MET CA C 13 54.719 0.300 . 1 . . . A 38 MET CA . 25827 1 394 . 1 1 38 38 MET CB C 13 35.562 0.300 . 1 . . . A 38 MET CB . 25827 1 395 . 1 1 38 38 MET CG C 13 33.868 0.300 . 1 . . . A 38 MET CG . 25827 1 396 . 1 1 38 38 MET CE C 13 19.576 0.300 . 1 . . . A 38 MET CE . 25827 1 397 . 1 1 38 38 MET N N 15 123.742 0.300 . 1 . . . A 38 MET N . 25827 1 398 . 1 1 39 39 LYS H H 1 8.173 0.020 . 1 . . . A 39 LYS H . 25827 1 399 . 1 1 39 39 LYS HA H 1 4.954 0.020 . 1 . . . A 39 LYS HA . 25827 1 400 . 1 1 39 39 LYS HB2 H 1 1.789 0.020 . 1 . . . A 39 LYS HB2 . 25827 1 401 . 1 1 39 39 LYS HG2 H 1 1.330 0.020 . 1 . . . A 39 LYS HG2 . 25827 1 402 . 1 1 39 39 LYS HD2 H 1 1.662 0.020 . 1 . . . A 39 LYS HD2 . 25827 1 403 . 1 1 39 39 LYS C C 13 175.872 0.300 . 1 . . . A 39 LYS C . 25827 1 404 . 1 1 39 39 LYS CA C 13 53.907 0.300 . 1 . . . A 39 LYS CA . 25827 1 405 . 1 1 39 39 LYS CB C 13 34.604 0.300 . 1 . . . A 39 LYS CB . 25827 1 406 . 1 1 39 39 LYS CG C 13 24.429 0.300 . 1 . . . A 39 LYS CG . 25827 1 407 . 1 1 39 39 LYS CD C 13 28.484 0.300 . 1 . . . A 39 LYS CD . 25827 1 408 . 1 1 39 39 LYS CE C 13 41.978 0.300 . 1 . . . A 39 LYS CE . 25827 1 409 . 1 1 39 39 LYS N N 15 126.343 0.300 . 1 . . . A 39 LYS N . 25827 1 410 . 1 1 40 40 VAL H H 1 10.339 0.020 . 1 . . . A 40 VAL H . 25827 1 411 . 1 1 40 40 VAL HA H 1 4.267 0.020 . 1 . . . A 40 VAL HA . 25827 1 412 . 1 1 40 40 VAL HB H 1 2.192 0.020 . 1 . . . A 40 VAL HB . 25827 1 413 . 1 1 40 40 VAL HG11 H 1 0.813 0.020 . 1 . . . A 40 VAL HG11 . 25827 1 414 . 1 1 40 40 VAL HG12 H 1 0.813 0.020 . 1 . . . A 40 VAL HG12 . 25827 1 415 . 1 1 40 40 VAL HG13 H 1 0.813 0.020 . 1 . . . A 40 VAL HG13 . 25827 1 416 . 1 1 40 40 VAL C C 13 174.327 0.300 . 1 . . . A 40 VAL C . 25827 1 417 . 1 1 40 40 VAL CA C 13 61.899 0.300 . 1 . . . A 40 VAL CA . 25827 1 418 . 1 1 40 40 VAL CB C 13 32.617 0.300 . 1 . . . A 40 VAL CB . 25827 1 419 . 1 1 40 40 VAL CG1 C 13 23.099 0.300 . 1 . . . A 40 VAL CG1 . 25827 1 420 . 1 1 40 40 VAL N N 15 131.217 0.300 . 1 . . . A 40 VAL N . 25827 1 421 . 1 1 41 41 SER H H 1 9.122 0.020 . 1 . . . A 41 SER H . 25827 1 422 . 1 1 41 41 SER HA H 1 4.878 0.020 . 1 . . . A 41 SER HA . 25827 1 423 . 1 1 41 41 SER HB2 H 1 3.804 0.020 . 1 . . . A 41 SER HB2 . 25827 1 424 . 1 1 41 41 SER C C 13 175.179 0.300 . 1 . . . A 41 SER C . 25827 1 425 . 1 1 41 41 SER CA C 13 55.359 0.300 . 1 . . . A 41 SER CA . 25827 1 426 . 1 1 41 41 SER CB C 13 63.381 0.300 . 1 . . . A 41 SER CB . 25827 1 427 . 1 1 41 41 SER N N 15 121.440 0.300 . 1 . . . A 41 SER N . 25827 1 428 . 1 1 42 42 LEU H H 1 9.139 0.020 . 1 . . . A 42 LEU H . 25827 1 429 . 1 1 42 42 LEU HA H 1 4.805 0.020 . 1 . . . A 42 LEU HA . 25827 1 430 . 1 1 42 42 LEU HB2 H 1 1.737 0.020 . 1 . . . A 42 LEU HB2 . 25827 1 431 . 1 1 42 42 LEU HB3 H 1 1.439 0.020 . 1 . . . A 42 LEU HB3 . 25827 1 432 . 1 1 42 42 LEU HD11 H 1 0.764 0.020 . 1 . . . A 42 LEU HD11 . 25827 1 433 . 1 1 42 42 LEU HD12 H 1 0.764 0.020 . 1 . . . A 42 LEU HD12 . 25827 1 434 . 1 1 42 42 LEU HD13 H 1 0.764 0.020 . 1 . . . A 42 LEU HD13 . 25827 1 435 . 1 1 42 42 LEU HD21 H 1 0.667 0.020 . 1 . . . A 42 LEU HD21 . 25827 1 436 . 1 1 42 42 LEU HD22 H 1 0.667 0.020 . 1 . . . A 42 LEU HD22 . 25827 1 437 . 1 1 42 42 LEU HD23 H 1 0.667 0.020 . 1 . . . A 42 LEU HD23 . 25827 1 438 . 1 1 42 42 LEU C C 13 179.189 0.300 . 1 . . . A 42 LEU C . 25827 1 439 . 1 1 42 42 LEU CA C 13 58.262 0.300 . 1 . . . A 42 LEU CA . 25827 1 440 . 1 1 42 42 LEU CB C 13 41.913 0.300 . 1 . . . A 42 LEU CB . 25827 1 441 . 1 1 42 42 LEU CG C 13 25.891 0.300 . 1 . . . A 42 LEU CG . 25827 1 442 . 1 1 42 42 LEU CD1 C 13 23.764 0.300 . 1 . . . A 42 LEU CD1 . 25827 1 443 . 1 1 42 42 LEU N N 15 131.575 0.300 . 1 . . . A 42 LEU N . 25827 1 444 . 1 1 43 43 GLU H H 1 9.041 0.020 . 1 . . . A 43 GLU H . 25827 1 445 . 1 1 43 43 GLU HA H 1 4.805 0.020 . 1 . . . A 43 GLU HA . 25827 1 446 . 1 1 43 43 GLU HB2 H 1 1.965 0.020 . 1 . . . A 43 GLU HB2 . 25827 1 447 . 1 1 43 43 GLU HG2 H 1 2.312 0.020 . 1 . . . A 43 GLU HG2 . 25827 1 448 . 1 1 43 43 GLU C C 13 178.456 0.300 . 1 . . . A 43 GLU C . 25827 1 449 . 1 1 43 43 GLU CA C 13 59.926 0.300 . 1 . . . A 43 GLU CA . 25827 1 450 . 1 1 43 43 GLU CB C 13 29.317 0.300 . 1 . . . A 43 GLU CB . 25827 1 451 . 1 1 43 43 GLU CG C 13 36.793 0.300 . 1 . . . A 43 GLU CG . 25827 1 452 . 1 1 43 43 GLU N N 15 117.524 0.300 . 1 . . . A 43 GLU N . 25827 1 453 . 1 1 44 44 GLN H H 1 7.651 0.020 . 1 . . . A 44 GLN H . 25827 1 454 . 1 1 44 44 GLN HA H 1 4.336 0.020 . 1 . . . A 44 GLN HA . 25827 1 455 . 1 1 44 44 GLN HB2 H 1 1.906 0.020 . 1 . . . A 44 GLN HB2 . 25827 1 456 . 1 1 44 44 GLN HB3 H 1 1.801 0.020 . 1 . . . A 44 GLN HB3 . 25827 1 457 . 1 1 44 44 GLN HG2 H 1 2.325 0.020 . 1 . . . A 44 GLN HG2 . 25827 1 458 . 1 1 44 44 GLN HG3 H 1 2.228 0.020 . 1 . . . A 44 GLN HG3 . 25827 1 459 . 1 1 44 44 GLN C C 13 176.765 0.300 . 1 . . . A 44 GLN C . 25827 1 460 . 1 1 44 44 GLN CA C 13 55.545 0.300 . 1 . . . A 44 GLN CA . 25827 1 461 . 1 1 44 44 GLN CB C 13 29.601 0.300 . 1 . . . A 44 GLN CB . 25827 1 462 . 1 1 44 44 GLN CG C 13 34.533 0.300 . 1 . . . A 44 GLN CG . 25827 1 463 . 1 1 44 44 GLN N N 15 113.278 0.300 . 1 . . . A 44 GLN N . 25827 1 464 . 1 1 45 45 GLY H H 1 7.884 0.020 . 1 . . . A 45 GLY H . 25827 1 465 . 1 1 45 45 GLY HA2 H 1 3.969 0.020 . 1 . . . A 45 GLY HA2 . 25827 1 466 . 1 1 45 45 GLY HA3 H 1 3.686 0.020 . 1 . . . A 45 GLY HA3 . 25827 1 467 . 1 1 45 45 GLY C C 13 174.487 0.300 . 1 . . . A 45 GLY C . 25827 1 468 . 1 1 45 45 GLY CA C 13 47.342 0.300 . 1 . . . A 45 GLY CA . 25827 1 469 . 1 1 45 45 GLY N N 15 110.453 0.300 . 1 . . . A 45 GLY N . 25827 1 470 . 1 1 46 46 SER H H 1 7.807 0.020 . 1 . . . A 46 SER H . 25827 1 471 . 1 1 46 46 SER HA H 1 5.412 0.020 . 1 . . . A 46 SER HA . 25827 1 472 . 1 1 46 46 SER HB2 H 1 3.686 0.020 . 1 . . . A 46 SER HB2 . 25827 1 473 . 1 1 46 46 SER C C 13 171.503 0.300 . 1 . . . A 46 SER C . 25827 1 474 . 1 1 46 46 SER CA C 13 56.544 0.300 . 1 . . . A 46 SER CA . 25827 1 475 . 1 1 46 46 SER CB C 13 66.327 0.300 . 1 . . . A 46 SER CB . 25827 1 476 . 1 1 46 46 SER N N 15 111.130 0.300 . 1 . . . A 46 SER N . 25827 1 477 . 1 1 47 47 ALA H H 1 9.349 0.020 . 1 . . . A 47 ALA H . 25827 1 478 . 1 1 47 47 ALA HA H 1 5.295 0.020 . 1 . . . A 47 ALA HA . 25827 1 479 . 1 1 47 47 ALA HB1 H 1 1.183 0.020 . 1 . . . A 47 ALA HB1 . 25827 1 480 . 1 1 47 47 ALA HB2 H 1 1.183 0.020 . 1 . . . A 47 ALA HB2 . 25827 1 481 . 1 1 47 47 ALA HB3 H 1 1.183 0.020 . 1 . . . A 47 ALA HB3 . 25827 1 482 . 1 1 47 47 ALA C C 13 175.806 0.300 . 1 . . . A 47 ALA C . 25827 1 483 . 1 1 47 47 ALA CA C 13 50.352 0.300 . 1 . . . A 47 ALA CA . 25827 1 484 . 1 1 47 47 ALA CB C 13 24.951 0.300 . 1 . . . A 47 ALA CB . 25827 1 485 . 1 1 47 47 ALA N N 15 120.663 0.300 . 1 . . . A 47 ALA N . 25827 1 486 . 1 1 48 48 THR H H 1 8.634 0.020 . 1 . . . A 48 THR H . 25827 1 487 . 1 1 48 48 THR HA H 1 4.880 0.020 . 1 . . . A 48 THR HA . 25827 1 488 . 1 1 48 48 THR HB H 1 3.889 0.020 . 1 . . . A 48 THR HB . 25827 1 489 . 1 1 48 48 THR HG21 H 1 1.129 0.020 . 1 . . . A 48 THR HG21 . 25827 1 490 . 1 1 48 48 THR HG22 H 1 1.129 0.020 . 1 . . . A 48 THR HG22 . 25827 1 491 . 1 1 48 48 THR HG23 H 1 1.129 0.020 . 1 . . . A 48 THR HG23 . 25827 1 492 . 1 1 48 48 THR C C 13 173.847 0.300 . 1 . . . A 48 THR C . 25827 1 493 . 1 1 48 48 THR CA C 13 62.163 0.300 . 1 . . . A 48 THR CA . 25827 1 494 . 1 1 48 48 THR CB C 13 69.698 0.300 . 1 . . . A 48 THR CB . 25827 1 495 . 1 1 48 48 THR CG2 C 13 21.57 0.300 . 1 . . . A 48 THR CG2 . 25827 1 496 . 1 1 48 48 THR N N 15 117.344 0.300 . 1 . . . A 48 THR N . 25827 1 497 . 1 1 49 49 VAL H H 1 9.400 0.020 . 1 . . . A 49 VAL H . 25827 1 498 . 1 1 49 49 VAL HA H 1 4.858 0.020 . 1 . . . A 49 VAL HA . 25827 1 499 . 1 1 49 49 VAL HB H 1 1.95 0.020 . 1 . . . A 49 VAL HB . 25827 1 500 . 1 1 49 49 VAL HG11 H 1 0.828 0.020 . 1 . . . A 49 VAL HG11 . 25827 1 501 . 1 1 49 49 VAL HG12 H 1 0.828 0.020 . 1 . . . A 49 VAL HG12 . 25827 1 502 . 1 1 49 49 VAL HG13 H 1 0.828 0.020 . 1 . . . A 49 VAL HG13 . 25827 1 503 . 1 1 49 49 VAL C C 13 173.208 0.300 . 1 . . . A 49 VAL C . 25827 1 504 . 1 1 49 49 VAL CA C 13 59.860 0.300 . 1 . . . A 49 VAL CA . 25827 1 505 . 1 1 49 49 VAL CB C 13 34.852 0.300 . 1 . . . A 49 VAL CB . 25827 1 506 . 1 1 49 49 VAL CG1 C 13 21.371 0.300 . 1 . . . A 49 VAL CG1 . 25827 1 507 . 1 1 49 49 VAL N N 15 129.782 0.300 . 1 . . . A 49 VAL N . 25827 1 508 . 1 1 50 50 LYS H H 1 8.997 0.020 . 1 . . . A 50 LYS H . 25827 1 509 . 1 1 50 50 LYS HA H 1 5.924 0.020 . 1 . . . A 50 LYS HA . 25827 1 510 . 1 1 50 50 LYS HB2 H 1 1.723 0.020 . 1 . . . A 50 LYS HB2 . 25827 1 511 . 1 1 50 50 LYS HG2 H 1 1.449 0.020 . 1 . . . A 50 LYS HG2 . 25827 1 512 . 1 1 50 50 LYS C C 13 176.671 0.300 . 1 . . . A 50 LYS C . 25827 1 513 . 1 1 50 50 LYS CA C 13 55.052 0.300 . 1 . . . A 50 LYS CA . 25827 1 514 . 1 1 50 50 LYS CB C 13 34.355 0.300 . 1 . . . A 50 LYS CB . 25827 1 515 . 1 1 50 50 LYS CG C 13 25.359 0.300 . 1 . . . A 50 LYS CG . 25827 1 516 . 1 1 50 50 LYS CD C 13 29.481 0.300 . 1 . . . A 50 LYS CD . 25827 1 517 . 1 1 50 50 LYS CE C 13 41.978 0.300 . 1 . . . A 50 LYS CE . 25827 1 518 . 1 1 50 50 LYS N N 15 128.107 0.300 . 1 . . . A 50 LYS N . 25827 1 519 . 1 1 51 51 TYR H H 1 9.478 0.020 . 1 . . . A 51 TYR H . 25827 1 520 . 1 1 51 51 TYR HA H 1 5.551 0.020 . 1 . . . A 51 TYR HA . 25827 1 521 . 1 1 51 51 TYR HB2 H 1 2.931 0.020 . 1 . . . A 51 TYR HB2 . 25827 1 522 . 1 1 51 51 TYR HB3 H 1 2.718 0.020 . 1 . . . A 51 TYR HB3 . 25827 1 523 . 1 1 51 51 TYR HD1 H 1 6.891 0.020 . 1 . . . A 51 TYR HD1 . 25827 1 524 . 1 1 51 51 TYR HD2 H 1 6.891 0.020 . 1 . . . A 51 TYR HD2 . 25827 1 525 . 1 1 51 51 TYR HE1 H 1 6.804 0.020 . 1 . . . A 51 TYR HE1 . 25827 1 526 . 1 1 51 51 TYR HE2 H 1 6.804 0.020 . 1 . . . A 51 TYR HE2 . 25827 1 527 . 1 1 51 51 TYR C C 13 171.343 0.300 . 1 . . . A 51 TYR C . 25827 1 528 . 1 1 51 51 TYR CA C 13 55.492 0.300 . 1 . . . A 51 TYR CA . 25827 1 529 . 1 1 51 51 TYR CB C 13 41.452 0.300 . 1 . . . A 51 TYR CB . 25827 1 530 . 1 1 51 51 TYR N N 15 124.310 0.300 . 1 . . . A 51 TYR N . 25827 1 531 . 1 1 52 52 VAL H H 1 8.702 0.020 . 1 . . . A 52 VAL H . 25827 1 532 . 1 1 52 52 VAL HA H 1 4.720 0.020 . 1 . . . A 52 VAL HA . 25827 1 533 . 1 1 52 52 VAL HB H 1 2.184 0.020 . 1 . . . A 52 VAL HB . 25827 1 534 . 1 1 52 52 VAL HG11 H 1 0.998 0.020 . 1 . . . A 52 VAL HG11 . 25827 1 535 . 1 1 52 52 VAL HG12 H 1 0.998 0.020 . 1 . . . A 52 VAL HG12 . 25827 1 536 . 1 1 52 52 VAL HG13 H 1 0.998 0.020 . 1 . . . A 52 VAL HG13 . 25827 1 537 . 1 1 52 52 VAL HG21 H 1 0.803 0.020 . 1 . . . A 52 VAL HG21 . 25827 1 538 . 1 1 52 52 VAL HG22 H 1 0.803 0.020 . 1 . . . A 52 VAL HG22 . 25827 1 539 . 1 1 52 52 VAL HG23 H 1 0.803 0.020 . 1 . . . A 52 VAL HG23 . 25827 1 540 . 1 1 52 52 VAL C C 13 176.045 0.300 . 1 . . . A 52 VAL C . 25827 1 541 . 1 1 52 52 VAL CA C 13 59.580 0.300 . 1 . . . A 52 VAL CA . 25827 1 542 . 1 1 52 52 VAL CB C 13 32.688 0.300 . 1 . . . A 52 VAL CB . 25827 1 543 . 1 1 52 52 VAL N N 15 122.068 0.300 . 1 . . . A 52 VAL N . 25827 1 544 . 1 1 53 53 PRO HA H 1 4.367 0.020 . 1 . . . A 53 PRO HA . 25827 1 545 . 1 1 53 53 PRO HB2 H 1 2.363 0.020 . 1 . . . A 53 PRO HB2 . 25827 1 546 . 1 1 53 53 PRO HB3 H 1 2.107 0.020 . 1 . . . A 53 PRO HB3 . 25827 1 547 . 1 1 53 53 PRO C C 13 177.111 0.300 . 1 . . . A 53 PRO C . 25827 1 548 . 1 1 53 53 PRO CA C 13 64.341 0.300 . 1 . . . A 53 PRO CA . 25827 1 549 . 1 1 53 53 PRO CB C 13 31.940 0.300 . 1 . . . A 53 PRO CB . 25827 1 550 . 1 1 53 53 PRO CG C 13 27.154 0.300 . 1 . . . A 53 PRO CG . 25827 1 551 . 1 1 54 54 SER H H 1 7.898 0.020 . 1 . . . A 54 SER H . 25827 1 552 . 1 1 54 54 SER HA H 1 4.345 0.020 . 1 . . . A 54 SER HA . 25827 1 553 . 1 1 54 54 SER HB2 H 1 4.054 0.020 . 1 . . . A 54 SER HB2 . 25827 1 554 . 1 1 54 54 SER HB3 H 1 3.883 0.020 . 1 . . . A 54 SER HB3 . 25827 1 555 . 1 1 54 54 SER C C 13 174.580 0.300 . 1 . . . A 54 SER C . 25827 1 556 . 1 1 54 54 SER CA C 13 59.726 0.300 . 1 . . . A 54 SER CA . 25827 1 557 . 1 1 54 54 SER CB C 13 62.635 0.300 . 1 . . . A 54 SER CB . 25827 1 558 . 1 1 54 54 SER N N 15 109.924 0.300 . 1 . . . A 54 SER N . 25827 1 559 . 1 1 55 55 VAL H H 1 8.163 0.020 . 1 . . . A 55 VAL H . 25827 1 560 . 1 1 55 55 VAL HA H 1 4.123 0.020 . 1 . . . A 55 VAL HA . 25827 1 561 . 1 1 55 55 VAL HB H 1 2.078 0.020 . 1 . . . A 55 VAL HB . 25827 1 562 . 1 1 55 55 VAL HG11 H 1 1.076 0.020 . 1 . . . A 55 VAL HG11 . 25827 1 563 . 1 1 55 55 VAL HG12 H 1 1.076 0.020 . 1 . . . A 55 VAL HG12 . 25827 1 564 . 1 1 55 55 VAL HG13 H 1 1.076 0.020 . 1 . . . A 55 VAL HG13 . 25827 1 565 . 1 1 55 55 VAL HG21 H 1 0.938 0.020 . 1 . . . A 55 VAL HG21 . 25827 1 566 . 1 1 55 55 VAL HG22 H 1 0.938 0.020 . 1 . . . A 55 VAL HG22 . 25827 1 567 . 1 1 55 55 VAL HG23 H 1 0.938 0.020 . 1 . . . A 55 VAL HG23 . 25827 1 568 . 1 1 55 55 VAL C C 13 174.607 0.300 . 1 . . . A 55 VAL C . 25827 1 569 . 1 1 55 55 VAL CA C 13 63.721 0.300 . 1 . . . A 55 VAL CA . 25827 1 570 . 1 1 55 55 VAL CB C 13 34.568 0.300 . 1 . . . A 55 VAL CB . 25827 1 571 . 1 1 55 55 VAL CG1 C 13 21.969 0.300 . 1 . . . A 55 VAL CG1 . 25827 1 572 . 1 1 55 55 VAL CG2 C 13 21.437 0.300 . 1 . . . A 55 VAL CG2 . 25827 1 573 . 1 1 55 55 VAL N N 15 121.919 0.300 . 1 . . . A 55 VAL N . 25827 1 574 . 1 1 56 56 VAL H H 1 8.254 0.020 . 1 . . . A 56 VAL H . 25827 1 575 . 1 1 56 56 VAL HA H 1 4.571 0.020 . 1 . . . A 56 VAL HA . 25827 1 576 . 1 1 56 56 VAL HB H 1 2.235 0.020 . 1 . . . A 56 VAL HB . 25827 1 577 . 1 1 56 56 VAL HG11 H 1 0.793 0.020 . 1 . . . A 56 VAL HG11 . 25827 1 578 . 1 1 56 56 VAL HG12 H 1 0.793 0.020 . 1 . . . A 56 VAL HG12 . 25827 1 579 . 1 1 56 56 VAL HG13 H 1 0.793 0.020 . 1 . . . A 56 VAL HG13 . 25827 1 580 . 1 1 56 56 VAL HG21 H 1 0.793 0.020 . 1 . . . A 56 VAL HG21 . 25827 1 581 . 1 1 56 56 VAL HG22 H 1 0.793 0.020 . 1 . . . A 56 VAL HG22 . 25827 1 582 . 1 1 56 56 VAL HG23 H 1 0.793 0.020 . 1 . . . A 56 VAL HG23 . 25827 1 583 . 1 1 56 56 VAL C C 13 170.477 0.300 . 1 . . . A 56 VAL C . 25827 1 584 . 1 1 56 56 VAL CA C 13 59.833 0.300 . 1 . . . A 56 VAL CA . 25827 1 585 . 1 1 56 56 VAL CB C 13 35.420 0.300 . 1 . . . A 56 VAL CB . 25827 1 586 . 1 1 56 56 VAL CG1 C 13 21.969 0.300 . 1 . . . A 56 VAL CG1 . 25827 1 587 . 1 1 56 56 VAL CG2 C 13 20.440 0.300 . 1 . . . A 56 VAL CG2 . 25827 1 588 . 1 1 56 56 VAL N N 15 121.380 0.300 . 1 . . . A 56 VAL N . 25827 1 589 . 1 1 57 57 CYS H H 1 7.885 0.020 . 1 . . . A 57 CYS H . 25827 1 590 . 1 1 57 57 CYS HA H 1 5.104 0.020 . 1 . . . A 57 CYS HA . 25827 1 591 . 1 1 57 57 CYS HB2 H 1 3.174 0.020 . 1 . . . A 57 CYS HB2 . 25827 1 592 . 1 1 57 57 CYS HB3 H 1 3.096 0.020 . 1 . . . A 57 CYS HB3 . 25827 1 593 . 1 1 57 57 CYS HG H 1 2.218 0.020 . 1 . . . A 57 CYS HG . 25827 1 594 . 1 1 57 57 CYS C C 13 176.591 0.300 . 1 . . . A 57 CYS C . 25827 1 595 . 1 1 57 57 CYS CA C 13 55.625 0.300 . 1 . . . A 57 CYS CA . 25827 1 596 . 1 1 57 57 CYS CB C 13 30.878 0.300 . 1 . . . A 57 CYS CB . 25827 1 597 . 1 1 57 57 CYS N N 15 121.201 0.300 . 1 . . . A 57 CYS N . 25827 1 598 . 1 1 58 58 LEU H H 1 8.555 0.020 . 1 . . . A 58 LEU H . 25827 1 599 . 1 1 58 58 LEU HA H 1 3.628 0.020 . 1 . . . A 58 LEU HA . 25827 1 600 . 1 1 58 58 LEU HB2 H 1 1.567 0.020 . 1 . . . A 58 LEU HB2 . 25827 1 601 . 1 1 58 58 LEU HB3 H 1 1.410 0.020 . 1 . . . A 58 LEU HB3 . 25827 1 602 . 1 1 58 58 LEU HG H 1 1.398 0.020 . 1 . . . A 58 LEU HG . 25827 1 603 . 1 1 58 58 LEU HD11 H 1 0.793 0.020 . 1 . . . A 58 LEU HD11 . 25827 1 604 . 1 1 58 58 LEU HD12 H 1 0.793 0.020 . 1 . . . A 58 LEU HD12 . 25827 1 605 . 1 1 58 58 LEU HD13 H 1 0.793 0.020 . 1 . . . A 58 LEU HD13 . 25827 1 606 . 1 1 58 58 LEU HD21 H 1 0.793 0.020 . 1 . . . A 58 LEU HD21 . 25827 1 607 . 1 1 58 58 LEU HD22 H 1 0.793 0.020 . 1 . . . A 58 LEU HD22 . 25827 1 608 . 1 1 58 58 LEU HD23 H 1 0.793 0.020 . 1 . . . A 58 LEU HD23 . 25827 1 609 . 1 1 58 58 LEU C C 13 179.335 0.300 . 1 . . . A 58 LEU C . 25827 1 610 . 1 1 58 58 LEU CA C 13 57.405 0.300 . 1 . . . A 58 LEU CA . 25827 1 611 . 1 1 58 58 LEU CB C 13 41.308 0.300 . 1 . . . A 58 LEU CB . 25827 1 612 . 1 1 58 58 LEU N N 15 125.028 0.300 . 1 . . . A 58 LEU N . 25827 1 613 . 1 1 59 59 GLN H H 1 9.081 0.020 . 1 . . . A 59 GLN H . 25827 1 614 . 1 1 59 59 GLN HA H 1 3.969 0.020 . 1 . . . A 59 GLN HA . 25827 1 615 . 1 1 59 59 GLN HB2 H 1 2.277 0.020 . 1 . . . A 59 GLN HB2 . 25827 1 616 . 1 1 59 59 GLN HB3 H 1 2.093 0.020 . 1 . . . A 59 GLN HB3 . 25827 1 617 . 1 1 59 59 GLN HG2 H 1 2.228 0.020 . 1 . . . A 59 GLN HG2 . 25827 1 618 . 1 1 59 59 GLN C C 13 178.629 0.300 . 1 . . . A 59 GLN C . 25827 1 619 . 1 1 59 59 GLN CA C 13 59.753 0.300 . 1 . . . A 59 GLN CA . 25827 1 620 . 1 1 59 59 GLN CB C 13 27.888 0.300 . 1 . . . A 59 GLN CB . 25827 1 621 . 1 1 59 59 GLN CG C 13 34.001 0.300 . 1 . . . A 59 GLN CG . 25827 1 622 . 1 1 59 59 GLN N N 15 120.812 0.300 . 1 . . . A 59 GLN N . 25827 1 623 . 1 1 60 60 GLN H H 1 7.793 0.020 . 1 . . . A 60 GLN H . 25827 1 624 . 1 1 60 60 GLN HA H 1 4.161 0.020 . 1 . . . A 60 GLN HA . 25827 1 625 . 1 1 60 60 GLN HB2 H 1 2.235 0.020 . 1 . . . A 60 GLN HB2 . 25827 1 626 . 1 1 60 60 GLN HG2 H 1 2.501 0.020 . 1 . . . A 60 GLN HG2 . 25827 1 627 . 1 1 60 60 GLN HG3 H 1 2.403 0.020 . 1 . . . A 60 GLN HG3 . 25827 1 628 . 1 1 60 60 GLN C C 13 179.002 0.300 . 1 . . . A 60 GLN C . 25827 1 629 . 1 1 60 60 GLN CA C 13 58.887 0.300 . 1 . . . A 60 GLN CA . 25827 1 630 . 1 1 60 60 GLN CB C 13 28.749 0.300 . 1 . . . A 60 GLN CB . 25827 1 631 . 1 1 60 60 GLN CG C 13 34.732 0.300 . 1 . . . A 60 GLN CG . 25827 1 632 . 1 1 60 60 GLN N N 15 120.513 0.300 . 1 . . . A 60 GLN N . 25827 1 633 . 1 1 61 61 VAL H H 1 7.359 0.020 . 1 . . . A 61 VAL H . 25827 1 634 . 1 1 61 61 VAL HA H 1 3.294 0.020 . 1 . . . A 61 VAL HA . 25827 1 635 . 1 1 61 61 VAL HB H 1 2.348 0.020 . 1 . . . A 61 VAL HB . 25827 1 636 . 1 1 61 61 VAL HG11 H 1 0.774 0.020 . 1 . . . A 61 VAL HG11 . 25827 1 637 . 1 1 61 61 VAL HG12 H 1 0.774 0.020 . 1 . . . A 61 VAL HG12 . 25827 1 638 . 1 1 61 61 VAL HG13 H 1 0.774 0.020 . 1 . . . A 61 VAL HG13 . 25827 1 639 . 1 1 61 61 VAL C C 13 177.564 0.300 . 1 . . . A 61 VAL C . 25827 1 640 . 1 1 61 61 VAL CA C 13 67.104 0.300 . 1 . . . A 61 VAL CA . 25827 1 641 . 1 1 61 61 VAL CB C 13 31.233 0.300 . 1 . . . A 61 VAL CB . 25827 1 642 . 1 1 61 61 VAL CG1 C 13 23.165 0.300 . 1 . . . A 61 VAL CG1 . 25827 1 643 . 1 1 61 61 VAL CG2 C 13 20.772 0.300 . 1 . . . A 61 VAL CG2 . 25827 1 644 . 1 1 61 61 VAL N N 15 119.886 0.300 . 1 . . . A 61 VAL N . 25827 1 645 . 1 1 62 62 CYS H H 1 8.034 0.020 . 1 . . . A 62 CYS H . 25827 1 646 . 1 1 62 62 CYS HA H 1 3.804 0.020 . 1 . . . A 62 CYS HA . 25827 1 647 . 1 1 62 62 CYS HB2 H 1 3.115 0.020 . 1 . . . A 62 CYS HB2 . 25827 1 648 . 1 1 62 62 CYS HB3 H 1 2.732 0.020 . 1 . . . A 62 CYS HB3 . 25827 1 649 . 1 1 62 62 CYS HG H 1 2.306 0.020 . 1 . . . A 62 CYS HG . 25827 1 650 . 1 1 62 62 CYS C C 13 177.630 0.300 . 1 . . . A 62 CYS C . 25827 1 651 . 1 1 62 62 CYS CA C 13 64.667 0.300 . 1 . . . A 62 CYS CA . 25827 1 652 . 1 1 62 62 CYS CB C 13 26.513 0.300 . 1 . . . A 62 CYS CB . 25827 1 653 . 1 1 62 62 CYS N N 15 116.059 0.300 . 1 . . . A 62 CYS N . 25827 1 654 . 1 1 63 63 HIS H H 1 8.430 0.020 . 1 . . . A 63 HIS H . 25827 1 655 . 1 1 63 63 HIS HA H 1 4.423 0.020 . 1 . . . A 63 HIS HA . 25827 1 656 . 1 1 63 63 HIS HB2 H 1 3.272 0.020 . 1 . . . A 63 HIS HB2 . 25827 1 657 . 1 1 63 63 HIS HB3 H 1 3.281 0.020 . 1 . . . A 63 HIS HB3 . 25827 1 658 . 1 1 63 63 HIS HE1 H 1 8.111 0.020 . 1 . . . A 63 HIS HE1 . 25827 1 659 . 1 1 63 63 HIS C C 13 178.097 0.300 . 1 . . . A 63 HIS C . 25827 1 660 . 1 1 63 63 HIS CA C 13 59.340 0.300 . 1 . . . A 63 HIS CA . 25827 1 661 . 1 1 63 63 HIS CB C 13 30.381 0.300 . 1 . . . A 63 HIS CB . 25827 1 662 . 1 1 63 63 HIS N N 15 121.440 0.300 . 1 . . . A 63 HIS N . 25827 1 663 . 1 1 64 64 GLN H H 1 8.102 0.020 . 1 . . . A 64 GLN H . 25827 1 664 . 1 1 64 64 GLN HA H 1 4.027 0.020 . 1 . . . A 64 GLN HA . 25827 1 665 . 1 1 64 64 GLN HB2 H 1 2.159 0.020 . 1 . . . A 64 GLN HB2 . 25827 1 666 . 1 1 64 64 GLN HB3 H 1 2.121 0.020 . 1 . . . A 64 GLN HB3 . 25827 1 667 . 1 1 64 64 GLN HG2 H 1 2.569 0.020 . 1 . . . A 64 GLN HG2 . 25827 1 668 . 1 1 64 64 GLN HG3 H 1 2.442 0.020 . 1 . . . A 64 GLN HG3 . 25827 1 669 . 1 1 64 64 GLN C C 13 178.536 0.300 . 1 . . . A 64 GLN C . 25827 1 670 . 1 1 64 64 GLN CA C 13 59.340 0.300 . 1 . . . A 64 GLN CA . 25827 1 671 . 1 1 64 64 GLN CB C 13 28.110 0.300 . 1 . . . A 64 GLN CB . 25827 1 672 . 1 1 64 64 GLN CG C 13 34.267 0.300 . 1 . . . A 64 GLN CG . 25827 1 673 . 1 1 64 64 GLN N N 15 118.839 0.300 . 1 . . . A 64 GLN N . 25827 1 674 . 1 1 65 65 ILE H H 1 7.858 0.020 . 1 . . . A 65 ILE H . 25827 1 675 . 1 1 65 65 ILE HA H 1 3.685 0.020 . 1 . . . A 65 ILE HA . 25827 1 676 . 1 1 65 65 ILE HB H 1 1.739 0.020 . 1 . . . A 65 ILE HB . 25827 1 677 . 1 1 65 65 ILE HG12 H 1 1.291 0.020 . 1 . . . A 65 ILE HG12 . 25827 1 678 . 1 1 65 65 ILE HG21 H 1 0.927 0.020 . 1 . . . A 65 ILE HG21 . 25827 1 679 . 1 1 65 65 ILE HG22 H 1 0.927 0.020 . 1 . . . A 65 ILE HG22 . 25827 1 680 . 1 1 65 65 ILE HG23 H 1 0.927 0.020 . 1 . . . A 65 ILE HG23 . 25827 1 681 . 1 1 65 65 ILE HD11 H 1 0.647 0.020 . 1 . . . A 65 ILE HD11 . 25827 1 682 . 1 1 65 65 ILE HD12 H 1 0.647 0.020 . 1 . . . A 65 ILE HD12 . 25827 1 683 . 1 1 65 65 ILE HD13 H 1 0.647 0.020 . 1 . . . A 65 ILE HD13 . 25827 1 684 . 1 1 65 65 ILE C C 13 178.656 0.300 . 1 . . . A 65 ILE C . 25827 1 685 . 1 1 65 65 ILE CA C 13 66.052 0.300 . 1 . . . A 65 ILE CA . 25827 1 686 . 1 1 65 65 ILE CB C 13 38.365 0.300 . 1 . . . A 65 ILE CB . 25827 1 687 . 1 1 65 65 ILE CG1 C 13 29.481 0.300 . 1 . . . A 65 ILE CG1 . 25827 1 688 . 1 1 65 65 ILE CG2 C 13 19.376 0.300 . 1 . . . A 65 ILE CG2 . 25827 1 689 . 1 1 65 65 ILE CD1 C 13 13.925 0.300 . 1 . . . A 65 ILE CD1 . 25827 1 690 . 1 1 65 65 ILE N N 15 119.228 0.300 . 1 . . . A 65 ILE N . 25827 1 691 . 1 1 66 66 GLY H H 1 8.379 0.020 . 1 . . . A 66 GLY H . 25827 1 692 . 1 1 66 66 GLY HA2 H 1 4.581 0.020 . 1 . . . A 66 GLY HA2 . 25827 1 693 . 1 1 66 66 GLY HA3 H 1 3.889 0.020 . 1 . . . A 66 GLY HA3 . 25827 1 694 . 1 1 66 66 GLY C C 13 178.643 0.300 . 1 . . . A 66 GLY C . 25827 1 695 . 1 1 66 66 GLY CA C 13 47.102 0.300 . 1 . . . A 66 GLY CA . 25827 1 696 . 1 1 66 66 GLY N N 15 109.453 0.300 . 1 . . . A 66 GLY N . 25827 1 697 . 1 1 67 67 ASP H H 1 8.091 0.020 . 1 . . . A 67 ASP H . 25827 1 698 . 1 1 67 67 ASP HA H 1 4.464 0.020 . 1 . . . A 67 ASP HA . 25827 1 699 . 1 1 67 67 ASP HB2 H 1 2.673 0.020 . 1 . . . A 67 ASP HB2 . 25827 1 700 . 1 1 67 67 ASP C C 13 177.497 0.300 . 1 . . . A 67 ASP C . 25827 1 701 . 1 1 67 67 ASP CA C 13 56.557 0.300 . 1 . . . A 67 ASP CA . 25827 1 702 . 1 1 67 67 ASP CB C 13 41.097 0.300 . 1 . . . A 67 ASP CB . 25827 1 703 . 1 1 67 67 ASP N N 15 123.114 0.300 . 1 . . . A 67 ASP N . 25827 1 704 . 1 1 68 68 MET H H 1 7.576 0.020 . 1 . . . A 68 MET H . 25827 1 705 . 1 1 68 68 MET HA H 1 4.297 0.020 . 1 . . . A 68 MET HA . 25827 1 706 . 1 1 68 68 MET HB2 H 1 2.578 0.020 . 1 . . . A 68 MET HB2 . 25827 1 707 . 1 1 68 68 MET HG2 H 1 2.983 0.020 . 1 . . . A 68 MET HG2 . 25827 1 708 . 1 1 68 68 MET HG3 H 1 2.969 0.020 . 1 . . . A 68 MET HG3 . 25827 1 709 . 1 1 68 68 MET HE1 H 1 2.140 0.020 . 1 . . . A 68 MET HE1 . 25827 1 710 . 1 1 68 68 MET HE2 H 1 2.140 0.020 . 1 . . . A 68 MET HE2 . 25827 1 711 . 1 1 68 68 MET HE3 H 1 2.140 0.020 . 1 . . . A 68 MET HE3 . 25827 1 712 . 1 1 68 68 MET C C 13 175.739 0.300 . 1 . . . A 68 MET C . 25827 1 713 . 1 1 68 68 MET CA C 13 56.490 0.300 . 1 . . . A 68 MET CA . 25827 1 714 . 1 1 68 68 MET CB C 13 34.355 0.300 . 1 . . . A 68 MET CB . 25827 1 715 . 1 1 68 68 MET CG C 13 32.539 0.300 . 1 . . . A 68 MET CG . 25827 1 716 . 1 1 68 68 MET N N 15 115.939 0.300 . 1 . . . A 68 MET N . 25827 1 717 . 1 1 69 69 GLY H H 1 7.880 0.020 . 1 . . . A 69 GLY H . 25827 1 718 . 1 1 69 69 GLY HA2 H 1 3.947 0.020 . 1 . . . A 69 GLY HA2 . 25827 1 719 . 1 1 69 69 GLY HA3 H 1 3.569 0.020 . 1 . . . A 69 GLY HA3 . 25827 1 720 . 1 1 69 69 GLY C C 13 173.328 0.300 . 1 . . . A 69 GLY C . 25827 1 721 . 1 1 69 69 GLY CA C 13 44.785 0.300 . 1 . . . A 69 GLY CA . 25827 1 722 . 1 1 69 69 GLY N N 15 104.775 0.300 . 1 . . . A 69 GLY N . 25827 1 723 . 1 1 70 70 PHE H H 1 6.905 0.020 . 1 . . . A 70 PHE H . 25827 1 724 . 1 1 70 70 PHE HA H 1 4.912 0.020 . 1 . . . A 70 PHE HA . 25827 1 725 . 1 1 70 70 PHE HB2 H 1 3.260 0.020 . 1 . . . A 70 PHE HB2 . 25827 1 726 . 1 1 70 70 PHE HB3 H 1 2.429 0.020 . 1 . . . A 70 PHE HB3 . 25827 1 727 . 1 1 70 70 PHE HD2 H 1 7.047 0.020 . 1 . . . A 70 PHE HD2 . 25827 1 728 . 1 1 70 70 PHE HE2 H 1 7.155 0.020 . 1 . . . A 70 PHE HE2 . 25827 1 729 . 1 1 70 70 PHE C C 13 173.768 0.300 . 1 . . . A 70 PHE C . 25827 1 730 . 1 1 70 70 PHE CA C 13 56.158 0.300 . 1 . . . A 70 PHE CA . 25827 1 731 . 1 1 70 70 PHE CB C 13 40.636 0.300 . 1 . . . A 70 PHE CB . 25827 1 732 . 1 1 70 70 PHE N N 15 118.809 0.300 . 1 . . . A 70 PHE N . 25827 1 733 . 1 1 71 71 GLU H H 1 8.081 0.020 . 1 . . . A 71 GLU H . 25827 1 734 . 1 1 71 71 GLU HA H 1 4.581 0.020 . 1 . . . A 71 GLU HA . 25827 1 735 . 1 1 71 71 GLU HB2 H 1 1.965 0.020 . 1 . . . A 71 GLU HB2 . 25827 1 736 . 1 1 71 71 GLU HB3 H 1 1.950 0.020 . 1 . . . A 71 GLU HB3 . 25827 1 737 . 1 1 71 71 GLU HG2 H 1 2.238 0.020 . 1 . . . A 71 GLU HG2 . 25827 1 738 . 1 1 71 71 GLU HG3 H 1 2.078 0.020 . 1 . . . A 71 GLU HG3 . 25827 1 739 . 1 1 71 71 GLU C C 13 174.993 0.300 . 1 . . . A 71 GLU C . 25827 1 740 . 1 1 71 71 GLU CA C 13 56.212 0.300 . 1 . . . A 71 GLU CA . 25827 1 741 . 1 1 71 71 GLU CB C 13 31.375 0.300 . 1 . . . A 71 GLU CB . 25827 1 742 . 1 1 71 71 GLU CG C 13 36.062 0.300 . 1 . . . A 71 GLU CG . 25827 1 743 . 1 1 71 71 GLU N N 15 119.497 0.300 . 1 . . . A 71 GLU N . 25827 1 744 . 1 1 72 72 ALA H H 1 8.925 0.020 . 1 . . . A 72 ALA H . 25827 1 745 . 1 1 72 72 ALA HA H 1 4.581 0.020 . 1 . . . A 72 ALA HA . 25827 1 746 . 1 1 72 72 ALA HB1 H 1 1.297 0.020 . 1 . . . A 72 ALA HB1 . 25827 1 747 . 1 1 72 72 ALA HB2 H 1 1.297 0.020 . 1 . . . A 72 ALA HB2 . 25827 1 748 . 1 1 72 72 ALA HB3 H 1 1.297 0.020 . 1 . . . A 72 ALA HB3 . 25827 1 749 . 1 1 72 72 ALA C C 13 176.179 0.300 . 1 . . . A 72 ALA C . 25827 1 750 . 1 1 72 72 ALA CA C 13 49.992 0.300 . 1 . . . A 72 ALA CA . 25827 1 751 . 1 1 72 72 ALA CB C 13 22.964 0.300 . 1 . . . A 72 ALA CB . 25827 1 752 . 1 1 72 72 ALA N N 15 129.662 0.300 . 1 . . . A 72 ALA N . 25827 1 753 . 1 1 73 73 SER H H 1 8.794 0.020 . 1 . . . A 73 SER H . 25827 1 754 . 1 1 73 73 SER HA H 1 4.716 0.020 . 1 . . . A 73 SER HA . 25827 1 755 . 1 1 73 73 SER HB2 H 1 3.841 0.020 . 1 . . . A 73 SER HB2 . 25827 1 756 . 1 1 73 73 SER C C 13 172.675 0.300 . 1 . . . A 73 SER C . 25827 1 757 . 1 1 73 73 SER CA C 13 57.156 0.300 . 1 . . . A 73 SER CA . 25827 1 758 . 1 1 73 73 SER CB C 13 65.581 0.300 . 1 . . . A 73 SER CB . 25827 1 759 . 1 1 73 73 SER N N 15 114.042 0.300 . 1 . . . A 73 SER N . 25827 1 760 . 1 1 74 74 ILE H H 1 8.813 0.020 . 1 . . . A 74 ILE H . 25827 1 761 . 1 1 74 74 ILE HA H 1 3.976 0.020 . 1 . . . A 74 ILE HA . 25827 1 762 . 1 1 74 74 ILE HB H 1 1.823 0.020 . 1 . . . A 74 ILE HB . 25827 1 763 . 1 1 74 74 ILE HG12 H 1 1.623 0.020 . 1 . . . A 74 ILE HG12 . 25827 1 764 . 1 1 74 74 ILE HG13 H 1 0.941 0.020 . 1 . . . A 74 ILE HG13 . 25827 1 765 . 1 1 74 74 ILE HD11 H 1 0.725 0.020 . 1 . . . A 74 ILE HD11 . 25827 1 766 . 1 1 74 74 ILE HD12 H 1 0.725 0.020 . 1 . . . A 74 ILE HD12 . 25827 1 767 . 1 1 74 74 ILE HD13 H 1 0.725 0.020 . 1 . . . A 74 ILE HD13 . 25827 1 768 . 1 1 74 74 ILE C C 13 176.045 0.300 . 1 . . . A 74 ILE C . 25827 1 769 . 1 1 74 74 ILE CA C 13 62.576 0.300 . 1 . . . A 74 ILE CA . 25827 1 770 . 1 1 74 74 ILE CB C 13 38.471 0.300 . 1 . . . A 74 ILE CB . 25827 1 771 . 1 1 74 74 ILE CG1 C 13 28.351 0.300 . 1 . . . A 74 ILE CG1 . 25827 1 772 . 1 1 74 74 ILE CG2 C 13 17.648 0.300 . 1 . . . A 74 ILE CG2 . 25827 1 773 . 1 1 74 74 ILE CD1 C 13 13.792 0.300 . 1 . . . A 74 ILE CD1 . 25827 1 774 . 1 1 74 74 ILE N N 15 122.487 0.300 . 1 . . . A 74 ILE N . 25827 1 775 . 1 1 75 75 ALA H H 1 8.400 0.020 . 1 . . . A 75 ALA H . 25827 1 776 . 1 1 75 75 ALA HA H 1 4.464 0.020 . 1 . . . A 75 ALA HA . 25827 1 777 . 1 1 75 75 ALA HB1 H 1 1.289 0.020 . 1 . . . A 75 ALA HB1 . 25827 1 778 . 1 1 75 75 ALA HB2 H 1 1.289 0.020 . 1 . . . A 75 ALA HB2 . 25827 1 779 . 1 1 75 75 ALA HB3 H 1 1.289 0.020 . 1 . . . A 75 ALA HB3 . 25827 1 780 . 1 1 75 75 ALA C C 13 176.045 0.300 . 1 . . . A 75 ALA C . 25827 1 781 . 1 1 75 75 ALA CA C 13 52.229 0.300 . 1 . . . A 75 ALA CA . 25827 1 782 . 1 1 75 75 ALA CB C 13 19.842 0.300 . 1 . . . A 75 ALA CB . 25827 1 783 . 1 1 75 75 ALA N N 15 131.516 0.300 . 1 . . . A 75 ALA N . 25827 1 784 . 1 1 76 76 GLU H H 1 8.003 0.020 . 1 . . . A 76 GLU H . 25827 1 785 . 1 1 76 76 GLU HA H 1 4.177 0.020 . 1 . . . A 76 GLU HA . 25827 1 786 . 1 1 76 76 GLU HB2 H 1 2.088 0.020 . 1 . . . A 76 GLU HB2 . 25827 1 787 . 1 1 76 76 GLU HB3 H 1 1.929 0.020 . 1 . . . A 76 GLU HB3 . 25827 1 788 . 1 1 76 76 GLU HG2 H 1 2.238 0.020 . 1 . . . A 76 GLU HG2 . 25827 1 789 . 1 1 76 76 GLU C C 13 180.974 0.300 . 1 . . . A 76 GLU C . 25827 1 790 . 1 1 76 76 GLU CA C 13 58.088 0.300 . 1 . . . A 76 GLU CA . 25827 1 791 . 1 1 76 76 GLU CB C 13 31.410 0.300 . 1 . . . A 76 GLU CB . 25827 1 792 . 1 1 76 76 GLU N N 15 126.194 0.300 . 1 . . . A 76 GLU N . 25827 1 stop_ save_