data_50509 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50509 _Entry.Title ; Backbone and sidechain assignments of RRM1 domain of human RBM6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-12 _Entry.Accession_date 2020-10-12 _Entry.Last_release_date 2020-10-12 _Entry.Original_release_date 2020-10-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 13C, 15N chemical shift assignments for RRM1 domain of human RBM6' _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 Priyanka Aggarwal . . . 0000-0002-4238-3818 50509 2 Neel Bhavesh . Sarovar . 0000-0002-7248-4978 50509 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50509 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 50509 '15N chemical shifts' 73 50509 '1H chemical shifts' 448 50509 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 . . 2020-10-16 . original BMRB . 50509 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50509 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N chemical shift assignments for RRM1 domain of human RBM6 ; _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 Priyanka Aggarwal . . . . 50509 1 2 Neel Bhavesh . Sarovar . . 50509 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50509 _Assembly.ID 1 _Assembly.Name 'RRM1 domain of human RBM6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9710 _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 'RRM1 domain of human RBM6' 1 $entity_1 . . yes native no no . . . 50509 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50509 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGHMSRLIRLSGVPEDAT KEEILNAFRTPDGMPVKNLQ LKEYNTGYDYGYVCVEFSLL EDAIGCMEANQGTLMIQDKE VTLEYVS ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P78332 . 'RNA-binding protein 6/RBM6' . . . . . . . . . . . . . . 50509 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50509 1 2 . ALA . 50509 1 3 . MET . 50509 1 4 . GLY . 50509 1 5 . HIS . 50509 1 6 . MET . 50509 1 7 . SER . 50509 1 8 . ARG . 50509 1 9 . LEU . 50509 1 10 . ILE . 50509 1 11 . ARG . 50509 1 12 . LEU . 50509 1 13 . SER . 50509 1 14 . GLY . 50509 1 15 . VAL . 50509 1 16 . PRO . 50509 1 17 . GLU . 50509 1 18 . ASP . 50509 1 19 . ALA . 50509 1 20 . THR . 50509 1 21 . LYS . 50509 1 22 . GLU . 50509 1 23 . GLU . 50509 1 24 . ILE . 50509 1 25 . LEU . 50509 1 26 . ASN . 50509 1 27 . ALA . 50509 1 28 . PHE . 50509 1 29 . ARG . 50509 1 30 . THR . 50509 1 31 . PRO . 50509 1 32 . ASP . 50509 1 33 . GLY . 50509 1 34 . MET . 50509 1 35 . PRO . 50509 1 36 . VAL . 50509 1 37 . LYS . 50509 1 38 . ASN . 50509 1 39 . LEU . 50509 1 40 . GLN . 50509 1 41 . LEU . 50509 1 42 . LYS . 50509 1 43 . GLU . 50509 1 44 . TYR . 50509 1 45 . ASN . 50509 1 46 . THR . 50509 1 47 . GLY . 50509 1 48 . TYR . 50509 1 49 . ASP . 50509 1 50 . TYR . 50509 1 51 . GLY . 50509 1 52 . TYR . 50509 1 53 . VAL . 50509 1 54 . CYS . 50509 1 55 . VAL . 50509 1 56 . GLU . 50509 1 57 . PHE . 50509 1 58 . SER . 50509 1 59 . LEU . 50509 1 60 . LEU . 50509 1 61 . GLU . 50509 1 62 . ASP . 50509 1 63 . ALA . 50509 1 64 . ILE . 50509 1 65 . GLY . 50509 1 66 . CYS . 50509 1 67 . MET . 50509 1 68 . GLU . 50509 1 69 . ALA . 50509 1 70 . ASN . 50509 1 71 . GLN . 50509 1 72 . GLY . 50509 1 73 . THR . 50509 1 74 . LEU . 50509 1 75 . MET . 50509 1 76 . ILE . 50509 1 77 . GLN . 50509 1 78 . ASP . 50509 1 79 . LYS . 50509 1 80 . GLU . 50509 1 81 . VAL . 50509 1 82 . THR . 50509 1 83 . LEU . 50509 1 84 . GLU . 50509 1 85 . TYR . 50509 1 86 . VAL . 50509 1 87 . SER . 50509 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50509 1 . ALA 2 2 50509 1 . MET 3 3 50509 1 . GLY 4 4 50509 1 . HIS 5 5 50509 1 . MET 6 6 50509 1 . SER 7 7 50509 1 . ARG 8 8 50509 1 . LEU 9 9 50509 1 . ILE 10 10 50509 1 . ARG 11 11 50509 1 . LEU 12 12 50509 1 . SER 13 13 50509 1 . GLY 14 14 50509 1 . VAL 15 15 50509 1 . PRO 16 16 50509 1 . GLU 17 17 50509 1 . ASP 18 18 50509 1 . ALA 19 19 50509 1 . THR 20 20 50509 1 . LYS 21 21 50509 1 . GLU 22 22 50509 1 . GLU 23 23 50509 1 . ILE 24 24 50509 1 . LEU 25 25 50509 1 . ASN 26 26 50509 1 . ALA 27 27 50509 1 . PHE 28 28 50509 1 . ARG 29 29 50509 1 . THR 30 30 50509 1 . PRO 31 31 50509 1 . ASP 32 32 50509 1 . GLY 33 33 50509 1 . MET 34 34 50509 1 . PRO 35 35 50509 1 . VAL 36 36 50509 1 . LYS 37 37 50509 1 . ASN 38 38 50509 1 . LEU 39 39 50509 1 . GLN 40 40 50509 1 . LEU 41 41 50509 1 . LYS 42 42 50509 1 . GLU 43 43 50509 1 . TYR 44 44 50509 1 . ASN 45 45 50509 1 . THR 46 46 50509 1 . GLY 47 47 50509 1 . TYR 48 48 50509 1 . ASP 49 49 50509 1 . TYR 50 50 50509 1 . GLY 51 51 50509 1 . TYR 52 52 50509 1 . VAL 53 53 50509 1 . CYS 54 54 50509 1 . VAL 55 55 50509 1 . GLU 56 56 50509 1 . PHE 57 57 50509 1 . SER 58 58 50509 1 . LEU 59 59 50509 1 . LEU 60 60 50509 1 . GLU 61 61 50509 1 . ASP 62 62 50509 1 . ALA 63 63 50509 1 . ILE 64 64 50509 1 . GLY 65 65 50509 1 . CYS 66 66 50509 1 . MET 67 67 50509 1 . GLU 68 68 50509 1 . ALA 69 69 50509 1 . ASN 70 70 50509 1 . GLN 71 71 50509 1 . GLY 72 72 50509 1 . THR 73 73 50509 1 . LEU 74 74 50509 1 . MET 75 75 50509 1 . ILE 76 76 50509 1 . GLN 77 77 50509 1 . ASP 78 78 50509 1 . LYS 79 79 50509 1 . GLU 80 80 50509 1 . VAL 81 81 50509 1 . THR 82 82 50509 1 . LEU 83 83 50509 1 . GLU 84 84 50509 1 . TYR 85 85 50509 1 . VAL 86 86 50509 1 . SER 87 87 50509 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50509 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50509 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50509 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pETM11 . . . 50509 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50509 _Sample.ID 1 _Sample.Name RBM6-RRM1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM Sodium Phosphate pH 7.5 and 50 mM NaCl' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RBM6 RRM1 domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.01 . . . 50509 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50509 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50509 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 50509 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'set 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 50509 1 pH 7.5 0.01 pH 50509 1 pressure 1 . atm 50509 1 temperature 303 0.01 K 50509 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50509 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl6 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50509 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50509 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50509 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50509 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data processing' 50509 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50509 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500.15 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50509 _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-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 3 '3D CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50509 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50509 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50509 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50509 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50509 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50509 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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-13C HSQC aliphatic' . . . 50509 1 2 '2D 1H-15N HSQC' . . . 50509 1 3 '3D CBCACONH' . . . 50509 1 4 '3D HN(CA)CO' . . . 50509 1 5 '3D HNCO' . . . 50509 1 6 '3D HNCA' . . . 50509 1 7 '3D HNCACB' . . . 50509 1 8 '3D H(CCO)NH' . . . 50509 1 9 '3D C(CO)NH' . . . 50509 1 10 '2D 1H-13C HSQC aromatic' . . . 50509 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 $software_2 . . 50509 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET HA H 1 4.505 0.020 . 1 . . . . . 3 MET HA . 50509 1 2 . 1 . 1 3 3 MET HB2 H 1 3.012 0.020 . 1 . . . . . 3 MET HB2 . 50509 1 3 . 1 . 1 3 3 MET HB3 H 1 3.012 0.020 . 1 . . . . . 3 MET HB3 . 50509 1 4 . 1 . 1 3 3 MET HG2 H 1 2.858 0.020 . 1 . . . . . 3 MET HG2 . 50509 1 5 . 1 . 1 3 3 MET HG3 H 1 2.858 0.020 . 1 . . . . . 3 MET HG3 . 50509 1 6 . 1 . 1 3 3 MET C C 13 175.984 0.3 . 1 . . . . . 3 MET C . 50509 1 7 . 1 . 1 3 3 MET CA C 13 57.995 0.3 . 1 . . . . . 3 MET CA . 50509 1 8 . 1 . 1 3 3 MET CB C 13 38.290 0.3 . 1 . . . . . 3 MET CB . 50509 1 9 . 1 . 1 3 3 MET CG C 13 32.038 0.3 . 1 . . . . . 3 MET CG . 50509 1 10 . 1 . 1 4 4 GLY H H 1 8.309 0.020 . 1 . . . . . 4 GLY H . 50509 1 11 . 1 . 1 4 4 GLY C C 13 173.389 0.3 . 1 . . . . . 4 GLY C . 50509 1 12 . 1 . 1 4 4 GLY CA C 13 45.359 0.3 . 1 . . . . . 4 GLY CA . 50509 1 13 . 1 . 1 4 4 GLY N N 15 109.548 0.3 . 1 . . . . . 4 GLY N . 50509 1 14 . 1 . 1 5 5 HIS H H 1 7.977 0.020 . 1 . . . . . 5 HIS H . 50509 1 15 . 1 . 1 5 5 HIS HA H 1 5.201 0.020 . 1 . . . . . 5 HIS HA . 50509 1 16 . 1 . 1 5 5 HIS HB2 H 1 3.025 0.020 . 1 . . . . . 5 HIS HB2 . 50509 1 17 . 1 . 1 5 5 HIS HB3 H 1 3.025 0.020 . 1 . . . . . 5 HIS HB3 . 50509 1 18 . 1 . 1 5 5 HIS C C 13 174.414 0.3 . 1 . . . . . 5 HIS C . 50509 1 19 . 1 . 1 5 5 HIS CA C 13 56.372 0.3 . 1 . . . . . 5 HIS CA . 50509 1 20 . 1 . 1 5 5 HIS CB C 13 40.040 0.3 . 1 . . . . . 5 HIS CB . 50509 1 21 . 1 . 1 5 5 HIS N N 15 118.096 0.3 . 1 . . . . . 5 HIS N . 50509 1 22 . 1 . 1 6 6 MET H H 1 8.570 0.020 . 1 . . . . . 6 MET H . 50509 1 23 . 1 . 1 6 6 MET HA H 1 3.019 0.020 . 1 . . . . . 6 MET HA . 50509 1 24 . 1 . 1 6 6 MET HB2 H 1 1.465 0.020 . 1 . . . . . 6 MET HB2 . 50509 1 25 . 1 . 1 6 6 MET HB3 H 1 1.465 0.020 . 1 . . . . . 6 MET HB3 . 50509 1 26 . 1 . 1 6 6 MET HG2 H 1 2.227 0.020 . 1 . . . . . 6 MET HG2 . 50509 1 27 . 1 . 1 6 6 MET HG3 H 1 2.227 0.020 . 1 . . . . . 6 MET HG3 . 50509 1 28 . 1 . 1 6 6 MET C C 13 174.299 0.3 . 1 . . . . . 6 MET C . 50509 1 29 . 1 . 1 6 6 MET CA C 13 56.548 0.3 . 1 . . . . . 6 MET CA . 50509 1 30 . 1 . 1 6 6 MET CB C 13 32.646 0.3 . 1 . . . . . 6 MET CB . 50509 1 31 . 1 . 1 6 6 MET CG C 13 31.788 0.3 . 1 . . . . . 6 MET CG . 50509 1 32 . 1 . 1 6 6 MET N N 15 120.131 0.3 . 1 . . . . . 6 MET N . 50509 1 33 . 1 . 1 7 7 SER H H 1 6.503 0.020 . 1 . . . . . 7 SER H . 50509 1 34 . 1 . 1 7 7 SER HA H 1 4.466 0.020 . 1 . . . . . 7 SER HA . 50509 1 35 . 1 . 1 7 7 SER HB2 H 1 3.945 0.020 . 2 . . . . . 7 SER HB2 . 50509 1 36 . 1 . 1 7 7 SER HB3 H 1 3.723 0.020 . 2 . . . . . 7 SER HB3 . 50509 1 37 . 1 . 1 7 7 SER C C 13 171.713 0.3 . 1 . . . . . 7 SER C . 50509 1 38 . 1 . 1 7 7 SER CA C 13 55.858 0.3 . 1 . . . . . 7 SER CA . 50509 1 39 . 1 . 1 7 7 SER CB C 13 65.521 0.3 . 1 . . . . . 7 SER CB . 50509 1 40 . 1 . 1 7 7 SER N N 15 115.638 0.3 . 1 . . . . . 7 SER N . 50509 1 41 . 1 . 1 8 8 ARG H H 1 8.135 0.020 . 1 . . . . . 8 ARG H . 50509 1 42 . 1 . 1 8 8 ARG HA H 1 4.183 0.020 . 1 . . . . . 8 ARG HA . 50509 1 43 . 1 . 1 8 8 ARG HB2 H 1 1.836 0.020 . 1 . . . . . 8 ARG HB2 . 50509 1 44 . 1 . 1 8 8 ARG HB3 H 1 1.836 0.020 . 1 . . . . . 8 ARG HB3 . 50509 1 45 . 1 . 1 8 8 ARG HG2 H 1 1.229 0.020 . 1 . . . . . 8 ARG HG2 . 50509 1 46 . 1 . 1 8 8 ARG HG3 H 1 1.229 0.020 . 1 . . . . . 8 ARG HG3 . 50509 1 47 . 1 . 1 8 8 ARG HD2 H 1 3.243 0.020 . 1 . . . . . 8 ARG HD2 . 50509 1 48 . 1 . 1 8 8 ARG HD3 H 1 3.243 0.020 . 1 . . . . . 8 ARG HD3 . 50509 1 49 . 1 . 1 8 8 ARG C C 13 174.165 0.3 . 1 . . . . . 8 ARG C . 50509 1 50 . 1 . 1 8 8 ARG CA C 13 57.267 0.3 . 1 . . . . . 8 ARG CA . 50509 1 51 . 1 . 1 8 8 ARG CB C 13 30.165 0.3 . 1 . . . . . 8 ARG CB . 50509 1 52 . 1 . 1 8 8 ARG CG C 13 24.226 0.3 . 1 . . . . . 8 ARG CG . 50509 1 53 . 1 . 1 8 8 ARG CD C 13 43.115 0.3 . 1 . . . . . 8 ARG CD . 50509 1 54 . 1 . 1 8 8 ARG N N 15 116.246 0.3 . 1 . . . . . 8 ARG N . 50509 1 55 . 1 . 1 9 9 LEU H H 1 8.447 0.020 . 1 . . . . . 9 LEU H . 50509 1 56 . 1 . 1 9 9 LEU HA H 1 5.252 0.020 . 1 . . . . . 9 LEU HA . 50509 1 57 . 1 . 1 9 9 LEU HB2 H 1 1.849 0.020 . 1 . . . . . 9 LEU HB2 . 50509 1 58 . 1 . 1 9 9 LEU HB3 H 1 1.849 0.020 . 1 . . . . . 9 LEU HB3 . 50509 1 59 . 1 . 1 9 9 LEU HG H 1 1.583 0.020 . 1 . . . . . 9 LEU HG . 50509 1 60 . 1 . 1 9 9 LEU HD11 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD1 . 50509 1 61 . 1 . 1 9 9 LEU HD12 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD1 . 50509 1 62 . 1 . 1 9 9 LEU HD13 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD1 . 50509 1 63 . 1 . 1 9 9 LEU HD21 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD2 . 50509 1 64 . 1 . 1 9 9 LEU HD22 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD2 . 50509 1 65 . 1 . 1 9 9 LEU HD23 H 1 0.875 0.020 . 1 . . . . . 9 LEU HD2 . 50509 1 66 . 1 . 1 9 9 LEU C C 13 174.385 0.3 . 1 . . . . . 9 LEU C . 50509 1 67 . 1 . 1 9 9 LEU CA C 13 53.807 0.3 . 1 . . . . . 9 LEU CA . 50509 1 68 . 1 . 1 9 9 LEU CB C 13 43.960 0.3 . 1 . . . . . 9 LEU CB . 50509 1 69 . 1 . 1 9 9 LEU CG C 13 27.251 0.3 . 1 . . . . . 9 LEU CG . 50509 1 70 . 1 . 1 9 9 LEU CD1 C 13 25.038 0.3 . 1 . . . . . 9 LEU CD1 . 50509 1 71 . 1 . 1 9 9 LEU CD2 C 13 24.447 0.3 . 1 . . . . . 9 LEU CD2 . 50509 1 72 . 1 . 1 9 9 LEU N N 15 121.486 0.3 . 1 . . . . . 9 LEU N . 50509 1 73 . 1 . 1 10 10 ILE H H 1 9.023 0.020 . 1 . . . . . 10 ILE H . 50509 1 74 . 1 . 1 10 10 ILE HA H 1 4.930 0.020 . 1 . . . . . 10 ILE HA . 50509 1 75 . 1 . 1 10 10 ILE HB H 1 1.773 0.020 . 1 . . . . . 10 ILE HB . 50509 1 76 . 1 . 1 10 10 ILE HG12 H 1 1.659 0.020 . 1 . . . . . 10 ILE HG12 . 50509 1 77 . 1 . 1 10 10 ILE HG13 H 1 1.659 0.020 . 1 . . . . . 10 ILE HG13 . 50509 1 78 . 1 . 1 10 10 ILE HG21 H 1 1.052 0.020 . 1 . . . . . 10 ILE HG2 . 50509 1 79 . 1 . 1 10 10 ILE HG22 H 1 1.052 0.020 . 1 . . . . . 10 ILE HG2 . 50509 1 80 . 1 . 1 10 10 ILE HG23 H 1 1.052 0.020 . 1 . . . . . 10 ILE HG2 . 50509 1 81 . 1 . 1 10 10 ILE HD11 H 1 0.862 0.020 . 1 . . . . . 10 ILE HD1 . 50509 1 82 . 1 . 1 10 10 ILE HD12 H 1 0.862 0.020 . 1 . . . . . 10 ILE HD1 . 50509 1 83 . 1 . 1 10 10 ILE HD13 H 1 0.862 0.020 . 1 . . . . . 10 ILE HD1 . 50509 1 84 . 1 . 1 10 10 ILE C C 13 174.134 0.3 . 1 . . . . . 10 ILE C . 50509 1 85 . 1 . 1 10 10 ILE CA C 13 58.934 0.3 . 1 . . . . . 10 ILE CA . 50509 1 86 . 1 . 1 10 10 ILE CB C 13 41.397 0.3 . 1 . . . . . 10 ILE CB . 50509 1 87 . 1 . 1 10 10 ILE CG1 C 13 28.235 0.3 . 1 . . . . . 10 ILE CG1 . 50509 1 88 . 1 . 1 10 10 ILE CG2 C 13 18.569 0.3 . 1 . . . . . 10 ILE CG2 . 50509 1 89 . 1 . 1 10 10 ILE CD1 C 13 13.348 0.3 . 1 . . . . . 10 ILE CD1 . 50509 1 90 . 1 . 1 10 10 ILE N N 15 124.383 0.3 . 1 . . . . . 10 ILE N . 50509 1 91 . 1 . 1 11 11 ARG H H 1 9.383 0.020 . 1 . . . . . 11 ARG H . 50509 1 92 . 1 . 1 11 11 ARG HA H 1 5.049 0.020 . 1 . . . . . 11 ARG HA . 50509 1 93 . 1 . 1 11 11 ARG HB2 H 1 1.537 0.020 . 1 . . . . . 11 ARG HB2 . 50509 1 94 . 1 . 1 11 11 ARG HB3 H 1 1.537 0.020 . 1 . . . . . 11 ARG HB3 . 50509 1 95 . 1 . 1 11 11 ARG HG2 H 1 1.415 0.020 . 1 . . . . . 11 ARG HG2 . 50509 1 96 . 1 . 1 11 11 ARG HG3 H 1 1.415 0.020 . 1 . . . . . 11 ARG HG3 . 50509 1 97 . 1 . 1 11 11 ARG HD2 H 1 2.595 0.020 . 1 . . . . . 11 ARG HD2 . 50509 1 98 . 1 . 1 11 11 ARG HD3 H 1 2.595 0.020 . 1 . . . . . 11 ARG HD3 . 50509 1 99 . 1 . 1 11 11 ARG C C 13 175.238 0.3 . 1 . . . . . 11 ARG C . 50509 1 100 . 1 . 1 11 11 ARG CA C 13 54.672 0.3 . 1 . . . . . 11 ARG CA . 50509 1 101 . 1 . 1 11 11 ARG CB C 13 33.029 0.3 . 1 . . . . . 11 ARG CB . 50509 1 102 . 1 . 1 11 11 ARG CG C 13 26.808 0.3 . 1 . . . . . 11 ARG CG . 50509 1 103 . 1 . 1 11 11 ARG CD C 13 43.411 0.3 . 1 . . . . . 11 ARG CD . 50509 1 104 . 1 . 1 11 11 ARG N N 15 127.191 0.3 . 1 . . . . . 11 ARG N . 50509 1 105 . 1 . 1 12 12 LEU H H 1 9.054 0.020 . 1 . . . . . 12 LEU H . 50509 1 106 . 1 . 1 12 12 LEU HA H 1 5.252 0.020 . 1 . . . . . 12 LEU HA . 50509 1 107 . 1 . 1 12 12 LEU HB2 H 1 1.697 0.020 . 1 . . . . . 12 LEU HB2 . 50509 1 108 . 1 . 1 12 12 LEU HB3 H 1 1.697 0.020 . 1 . . . . . 12 LEU HB3 . 50509 1 109 . 1 . 1 12 12 LEU HG H 1 1.330 0.020 . 1 . . . . . 12 LEU HG . 50509 1 110 . 1 . 1 12 12 LEU HD11 H 1 0.945 0.020 . 2 . . . . . 12 LEU HD1 . 50509 1 111 . 1 . 1 12 12 LEU HD12 H 1 0.945 0.020 . 2 . . . . . 12 LEU HD1 . 50509 1 112 . 1 . 1 12 12 LEU HD13 H 1 0.945 0.020 . 2 . . . . . 12 LEU HD1 . 50509 1 113 . 1 . 1 12 12 LEU HD21 H 1 0.757 0.020 . 2 . . . . . 12 LEU HD2 . 50509 1 114 . 1 . 1 12 12 LEU HD22 H 1 0.757 0.020 . 2 . . . . . 12 LEU HD2 . 50509 1 115 . 1 . 1 12 12 LEU HD23 H 1 0.757 0.020 . 2 . . . . . 12 LEU HD2 . 50509 1 116 . 1 . 1 12 12 LEU C C 13 176.216 0.3 . 1 . . . . . 12 LEU C . 50509 1 117 . 1 . 1 12 12 LEU CA C 13 54.672 0.3 . 1 . . . . . 12 LEU CA . 50509 1 118 . 1 . 1 12 12 LEU CB C 13 42.980 0.3 . 1 . . . . . 12 LEU CB . 50509 1 119 . 1 . 1 12 12 LEU CG C 13 29.022 0.3 . 1 . . . . . 12 LEU CG . 50509 1 120 . 1 . 1 12 12 LEU CD1 C 13 26.661 0.3 . 1 . . . . . 12 LEU CD1 . 50509 1 121 . 1 . 1 12 12 LEU CD2 C 13 25.185 0.3 . 1 . . . . . 12 LEU CD2 . 50509 1 122 . 1 . 1 12 12 LEU N N 15 128.059 0.3 . 1 . . . . . 12 LEU N . 50509 1 123 . 1 . 1 13 13 SER H H 1 8.892 0.020 . 1 . . . . . 13 SER H . 50509 1 124 . 1 . 1 13 13 SER HA H 1 5.025 0.020 . 1 . . . . . 13 SER HA . 50509 1 125 . 1 . 1 13 13 SER HB2 H 1 3.829 0.020 . 1 . . . . . 13 SER HB2 . 50509 1 126 . 1 . 1 13 13 SER HB3 H 1 3.829 0.020 . 1 . . . . . 13 SER HB3 . 50509 1 127 . 1 . 1 13 13 SER C C 13 173.500 0.3 . 1 . . . . . 13 SER C . 50509 1 128 . 1 . 1 13 13 SER CA C 13 57.460 0.3 . 1 . . . . . 13 SER CA . 50509 1 129 . 1 . 1 13 13 SER CB C 13 64.277 0.3 . 1 . . . . . 13 SER CB . 50509 1 130 . 1 . 1 13 13 SER N N 15 117.247 0.3 . 1 . . . . . 13 SER N . 50509 1 131 . 1 . 1 14 14 GLY H H 1 8.531 0.020 . 1 . . . . . 14 GLY H . 50509 1 132 . 1 . 1 14 14 GLY HA2 H 1 4.376 0.020 . 1 . . . . . 14 GLY HA2 . 50509 1 133 . 1 . 1 14 14 GLY HA3 H 1 4.376 0.020 . 1 . . . . . 14 GLY HA3 . 50509 1 134 . 1 . 1 14 14 GLY C C 13 175.035 0.3 . 1 . . . . . 14 GLY C . 50509 1 135 . 1 . 1 14 14 GLY CA C 13 44.930 0.3 . 1 . . . . . 14 GLY CA . 50509 1 136 . 1 . 1 14 14 GLY N N 15 113.036 0.3 . 1 . . . . . 14 GLY N . 50509 1 137 . 1 . 1 15 15 VAL H H 1 8.249 0.020 . 1 . . . . . 15 VAL H . 50509 1 138 . 1 . 1 15 15 VAL C C 13 174.584 0.3 . 1 . . . . . 15 VAL C . 50509 1 139 . 1 . 1 15 15 VAL CA C 13 60.970 0.3 . 1 . . . . . 15 VAL CA . 50509 1 140 . 1 . 1 15 15 VAL CB C 13 32.222 0.3 . 1 . . . . . 15 VAL CB . 50509 1 141 . 1 . 1 15 15 VAL N N 15 121.511 0.3 . 1 . . . . . 15 VAL N . 50509 1 142 . 1 . 1 16 16 PRO HA H 1 4.380 0.020 . 1 . . . . . 16 PRO HA . 50509 1 143 . 1 . 1 16 16 PRO HB2 H 1 1.934 0.020 . 1 . . . . . 16 PRO HB2 . 50509 1 144 . 1 . 1 16 16 PRO HB3 H 1 1.934 0.020 . 1 . . . . . 16 PRO HB3 . 50509 1 145 . 1 . 1 16 16 PRO HG2 H 1 1.623 0.020 . 1 . . . . . 16 PRO HG2 . 50509 1 146 . 1 . 1 16 16 PRO HG3 H 1 1.623 0.020 . 1 . . . . . 16 PRO HG3 . 50509 1 147 . 1 . 1 16 16 PRO HD2 H 1 2.393 0.020 . 1 . . . . . 16 PRO HD2 . 50509 1 148 . 1 . 1 16 16 PRO HD3 H 1 2.393 0.020 . 1 . . . . . 16 PRO HD3 . 50509 1 149 . 1 . 1 16 16 PRO C C 13 177.482 0.3 . 1 . . . . . 16 PRO C . 50509 1 150 . 1 . 1 16 16 PRO CA C 13 63.082 0.3 . 1 . . . . . 16 PRO CA . 50509 1 151 . 1 . 1 16 16 PRO CB C 13 32.045 0.3 . 1 . . . . . 16 PRO CB . 50509 1 152 . 1 . 1 16 16 PRO CG C 13 27.768 0.3 . 1 . . . . . 16 PRO CG . 50509 1 153 . 1 . 1 16 16 PRO CD C 13 50.642 0.3 . 1 . . . . . 16 PRO CD . 50509 1 154 . 1 . 1 17 17 GLU H H 1 8.922 0.020 . 1 . . . . . 17 GLU H . 50509 1 155 . 1 . 1 17 17 GLU HA H 1 3.955 0.020 . 1 . . . . . 17 GLU HA . 50509 1 156 . 1 . 1 17 17 GLU HB2 H 1 2.260 0.020 . 1 . . . . . 17 GLU HB2 . 50509 1 157 . 1 . 1 17 17 GLU HB3 H 1 2.260 0.020 . 1 . . . . . 17 GLU HB3 . 50509 1 158 . 1 . 1 17 17 GLU HG2 H 1 1.972 0.020 . 1 . . . . . 17 GLU HG2 . 50509 1 159 . 1 . 1 17 17 GLU HG3 H 1 1.972 0.020 . 1 . . . . . 17 GLU HG3 . 50509 1 160 . 1 . 1 17 17 GLU C C 13 176.325 0.3 . 1 . . . . . 17 GLU C . 50509 1 161 . 1 . 1 17 17 GLU CA C 13 59.126 0.3 . 1 . . . . . 17 GLU CA . 50509 1 162 . 1 . 1 17 17 GLU CB C 13 29.185 0.3 . 1 . . . . . 17 GLU CB . 50509 1 163 . 1 . 1 17 17 GLU CG C 13 35.884 0.3 . 1 . . . . . 17 GLU CG . 50509 1 164 . 1 . 1 17 17 GLU N N 15 123.620 0.3 . 1 . . . . . 17 GLU N . 50509 1 165 . 1 . 1 18 18 ASP H H 1 8.338 0.020 . 1 . . . . . 18 ASP H . 50509 1 166 . 1 . 1 18 18 ASP HA H 1 4.608 0.020 . 1 . . . . . 18 ASP HA . 50509 1 167 . 1 . 1 18 18 ASP HB2 H 1 2.737 0.020 . 1 . . . . . 18 ASP HB2 . 50509 1 168 . 1 . 1 18 18 ASP HB3 H 1 2.737 0.020 . 1 . . . . . 18 ASP HB3 . 50509 1 169 . 1 . 1 18 18 ASP C C 13 176.292 0.3 . 1 . . . . . 18 ASP C . 50509 1 170 . 1 . 1 18 18 ASP CA C 13 53.294 0.3 . 1 . . . . . 18 ASP CA . 50509 1 171 . 1 . 1 18 18 ASP CB C 13 39.843 0.3 . 1 . . . . . 18 ASP CB . 50509 1 172 . 1 . 1 18 18 ASP N N 15 114.599 0.3 . 1 . . . . . 18 ASP N . 50509 1 173 . 1 . 1 19 19 ALA H H 1 7.394 0.020 . 1 . . . . . 19 ALA H . 50509 1 174 . 1 . 1 19 19 ALA HA H 1 4.467 0.020 . 1 . . . . . 19 ALA HA . 50509 1 175 . 1 . 1 19 19 ALA HB1 H 1 1.179 0.020 . 1 . . . . . 19 ALA HB . 50509 1 176 . 1 . 1 19 19 ALA HB2 H 1 1.179 0.020 . 1 . . . . . 19 ALA HB . 50509 1 177 . 1 . 1 19 19 ALA HB3 H 1 1.179 0.020 . 1 . . . . . 19 ALA HB . 50509 1 178 . 1 . 1 19 19 ALA C C 13 177.815 0.3 . 1 . . . . . 19 ALA C . 50509 1 179 . 1 . 1 19 19 ALA CA C 13 52.269 0.3 . 1 . . . . . 19 ALA CA . 50509 1 180 . 1 . 1 19 19 ALA CB C 13 18.404 0.3 . 1 . . . . . 19 ALA CB . 50509 1 181 . 1 . 1 19 19 ALA N N 15 122.524 0.3 . 1 . . . . . 19 ALA N . 50509 1 182 . 1 . 1 20 20 THR H H 1 8.808 0.020 . 1 . . . . . 20 THR H . 50509 1 183 . 1 . 1 20 20 THR HA H 1 4.733 0.020 . 1 . . . . . 20 THR HA . 50509 1 184 . 1 . 1 20 20 THR HB H 1 4.467 0.020 . 1 . . . . . 20 THR HB . 50509 1 185 . 1 . 1 20 20 THR HG21 H 1 1.356 0.020 . 1 . . . . . 20 THR HG2 . 50509 1 186 . 1 . 1 20 20 THR HG22 H 1 1.356 0.020 . 1 . . . . . 20 THR HG2 . 50509 1 187 . 1 . 1 20 20 THR HG23 H 1 1.356 0.020 . 1 . . . . . 20 THR HG2 . 50509 1 188 . 1 . 1 20 20 THR C C 13 174.819 0.3 . 1 . . . . . 20 THR C . 50509 1 189 . 1 . 1 20 20 THR CA C 13 60.087 0.3 . 1 . . . . . 20 THR CA . 50509 1 190 . 1 . 1 20 20 THR CB C 13 71.514 0.3 . 1 . . . . . 20 THR CB . 50509 1 191 . 1 . 1 20 20 THR CG2 C 13 21.791 0.3 . 1 . . . . . 20 THR CG2 . 50509 1 192 . 1 . 1 20 20 THR N N 15 115.236 0.3 . 1 . . . . . 20 THR N . 50509 1 193 . 1 . 1 21 21 LYS H H 1 8.716 0.020 . 1 . . . . . 21 LYS H . 50509 1 194 . 1 . 1 21 21 LYS HA H 1 3.713 0.020 . 1 . . . . . 21 LYS HA . 50509 1 195 . 1 . 1 21 21 LYS HB2 H 1 1.685 0.020 . 1 . . . . . 21 LYS HB2 . 50509 1 196 . 1 . 1 21 21 LYS HB3 H 1 1.685 0.020 . 1 . . . . . 21 LYS HB3 . 50509 1 197 . 1 . 1 21 21 LYS HG2 H 1 1.171 0.020 . 1 . . . . . 21 LYS HG2 . 50509 1 198 . 1 . 1 21 21 LYS HG3 H 1 1.171 0.020 . 1 . . . . . 21 LYS HG3 . 50509 1 199 . 1 . 1 21 21 LYS HD2 H 1 1.369 0.020 . 1 . . . . . 21 LYS HD2 . 50509 1 200 . 1 . 1 21 21 LYS HD3 H 1 1.369 0.020 . 1 . . . . . 21 LYS HD3 . 50509 1 201 . 1 . 1 21 21 LYS HE2 H 1 2.915 0.020 . 1 . . . . . 21 LYS HE2 . 50509 1 202 . 1 . 1 21 21 LYS HE3 H 1 2.915 0.020 . 1 . . . . . 21 LYS HE3 . 50509 1 203 . 1 . 1 21 21 LYS C C 13 177.582 0.3 . 1 . . . . . 21 LYS C . 50509 1 204 . 1 . 1 21 21 LYS CA C 13 60.119 0.3 . 1 . . . . . 21 LYS CA . 50509 1 205 . 1 . 1 21 21 LYS CB C 13 31.823 0.3 . 1 . . . . . 21 LYS CB . 50509 1 206 . 1 . 1 21 21 LYS CG C 13 24.805 0.3 . 1 . . . . . 21 LYS CG . 50509 1 207 . 1 . 1 21 21 LYS CD C 13 29.402 0.3 . 1 . . . . . 21 LYS CD . 50509 1 208 . 1 . 1 21 21 LYS CE C 13 41.867 0.3 . 1 . . . . . 21 LYS CE . 50509 1 209 . 1 . 1 21 21 LYS N N 15 120.424 0.3 . 1 . . . . . 21 LYS N . 50509 1 210 . 1 . 1 22 22 GLU H H 1 8.494 0.020 . 1 . . . . . 22 GLU H . 50509 1 211 . 1 . 1 22 22 GLU HA H 1 3.901 0.020 . 1 . . . . . 22 GLU HA . 50509 1 212 . 1 . 1 22 22 GLU HB2 H 1 2.031 0.020 . 1 . . . . . 22 GLU HB2 . 50509 1 213 . 1 . 1 22 22 GLU HB3 H 1 2.031 0.020 . 1 . . . . . 22 GLU HB3 . 50509 1 214 . 1 . 1 22 22 GLU HG2 H 1 2.409 0.020 . 1 . . . . . 22 GLU HG2 . 50509 1 215 . 1 . 1 22 22 GLU HG3 H 1 2.409 0.020 . 1 . . . . . 22 GLU HG3 . 50509 1 216 . 1 . 1 22 22 GLU C C 13 178.481 0.3 . 1 . . . . . 22 GLU C . 50509 1 217 . 1 . 1 22 22 GLU CA C 13 60.184 0.3 . 1 . . . . . 22 GLU CA . 50509 1 218 . 1 . 1 22 22 GLU CB C 13 28.619 0.3 . 1 . . . . . 22 GLU CB . 50509 1 219 . 1 . 1 22 22 GLU CG C 13 36.993 0.3 . 1 . . . . . 22 GLU CG . 50509 1 220 . 1 . 1 22 22 GLU N N 15 116.050 0.3 . 1 . . . . . 22 GLU N . 50509 1 221 . 1 . 1 23 23 GLU H H 1 7.750 0.020 . 1 . . . . . 23 GLU H . 50509 1 222 . 1 . 1 23 23 GLU HA H 1 3.999 0.020 . 1 . . . . . 23 GLU HA . 50509 1 223 . 1 . 1 23 23 GLU HB2 H 1 1.890 0.020 . 1 . . . . . 23 GLU HB2 . 50509 1 224 . 1 . 1 23 23 GLU HB3 H 1 1.890 0.020 . 1 . . . . . 23 GLU HB3 . 50509 1 225 . 1 . 1 23 23 GLU HG2 H 1 2.308 0.020 . 1 . . . . . 23 GLU HG2 . 50509 1 226 . 1 . 1 23 23 GLU HG3 H 1 2.308 0.020 . 1 . . . . . 23 GLU HG3 . 50509 1 227 . 1 . 1 23 23 GLU C C 13 178.793 0.3 . 1 . . . . . 23 GLU C . 50509 1 228 . 1 . 1 23 23 GLU CA C 13 58.966 0.3 . 1 . . . . . 23 GLU CA . 50509 1 229 . 1 . 1 23 23 GLU CB C 13 29.788 0.3 . 1 . . . . . 23 GLU CB . 50509 1 230 . 1 . 1 23 23 GLU CG C 13 37.139 0.3 . 1 . . . . . 23 GLU CG . 50509 1 231 . 1 . 1 23 23 GLU N N 15 119.457 0.3 . 1 . . . . . 23 GLU N . 50509 1 232 . 1 . 1 24 24 ILE H H 1 7.892 0.020 . 1 . . . . . 24 ILE H . 50509 1 233 . 1 . 1 24 24 ILE HA H 1 3.531 0.020 . 1 . . . . . 24 ILE HA . 50509 1 234 . 1 . 1 24 24 ILE HB H 1 1.874 0.020 . 1 . . . . . 24 ILE HB . 50509 1 235 . 1 . 1 24 24 ILE HG12 H 1 0.951 0.020 . 1 . . . . . 24 ILE HG12 . 50509 1 236 . 1 . 1 24 24 ILE HG13 H 1 0.951 0.020 . 1 . . . . . 24 ILE HG13 . 50509 1 237 . 1 . 1 24 24 ILE HD11 H 1 0.752 0.020 . 1 . . . . . 24 ILE HD1 . 50509 1 238 . 1 . 1 24 24 ILE HD12 H 1 0.752 0.020 . 1 . . . . . 24 ILE HD1 . 50509 1 239 . 1 . 1 24 24 ILE HD13 H 1 0.752 0.020 . 1 . . . . . 24 ILE HD1 . 50509 1 240 . 1 . 1 24 24 ILE C C 13 176.993 0.3 . 1 . . . . . 24 ILE C . 50509 1 241 . 1 . 1 24 24 ILE CA C 13 65.407 0.3 . 1 . . . . . 24 ILE CA . 50509 1 242 . 1 . 1 24 24 ILE CB C 13 37.929 0.3 . 1 . . . . . 24 ILE CB . 50509 1 243 . 1 . 1 24 24 ILE CG1 C 13 28.948 0.3 . 1 . . . . . 24 ILE CG1 . 50509 1 244 . 1 . 1 24 24 ILE CG2 C 13 17.437 0.3 . 1 . . . . . 24 ILE CG2 . 50509 1 245 . 1 . 1 24 24 ILE CD1 C 13 14.191 0.3 . 1 . . . . . 24 ILE CD1 . 50509 1 246 . 1 . 1 24 24 ILE N N 15 119.124 0.3 . 1 . . . . . 24 ILE N . 50509 1 247 . 1 . 1 25 25 LEU H H 1 8.204 0.020 . 1 . . . . . 25 LEU H . 50509 1 248 . 1 . 1 25 25 LEU HA H 1 4.093 0.020 . 1 . . . . . 25 LEU HA . 50509 1 249 . 1 . 1 25 25 LEU HB2 H 1 1.827 0.020 . 1 . . . . . 25 LEU HB2 . 50509 1 250 . 1 . 1 25 25 LEU HB3 H 1 1.827 0.020 . 1 . . . . . 25 LEU HB3 . 50509 1 251 . 1 . 1 25 25 LEU HG H 1 1.471 0.020 . 1 . . . . . 25 LEU HG . 50509 1 252 . 1 . 1 25 25 LEU HD11 H 1 0.824 0.020 . 2 . . . . . 25 LEU HD1 . 50509 1 253 . 1 . 1 25 25 LEU HD12 H 1 0.824 0.020 . 2 . . . . . 25 LEU HD1 . 50509 1 254 . 1 . 1 25 25 LEU HD13 H 1 0.824 0.020 . 2 . . . . . 25 LEU HD1 . 50509 1 255 . 1 . 1 25 25 LEU HD21 H 1 0.624 0.020 . 2 . . . . . 25 LEU HD2 . 50509 1 256 . 1 . 1 25 25 LEU HD22 H 1 0.624 0.020 . 2 . . . . . 25 LEU HD2 . 50509 1 257 . 1 . 1 25 25 LEU HD23 H 1 0.624 0.020 . 2 . . . . . 25 LEU HD2 . 50509 1 258 . 1 . 1 25 25 LEU C C 13 180.250 0.3 . 1 . . . . . 25 LEU C . 50509 1 259 . 1 . 1 25 25 LEU CA C 13 57.908 0.3 . 1 . . . . . 25 LEU CA . 50509 1 260 . 1 . 1 25 25 LEU CB C 13 40.870 0.3 . 1 . . . . . 25 LEU CB . 50509 1 261 . 1 . 1 25 25 LEU CG C 13 26.487 0.3 . 1 . . . . . 25 LEU CG . 50509 1 262 . 1 . 1 25 25 LEU CD1 C 13 25.375 0.3 . 1 . . . . . 25 LEU CD1 . 50509 1 263 . 1 . 1 25 25 LEU CD2 C 13 22.542 0.3 . 1 . . . . . 25 LEU CD2 . 50509 1 264 . 1 . 1 25 25 LEU N N 15 115.604 0.3 . 1 . . . . . 25 LEU N . 50509 1 265 . 1 . 1 26 26 ASN H H 1 8.262 0.020 . 1 . . . . . 26 ASN H . 50509 1 266 . 1 . 1 26 26 ASN HA H 1 4.594 0.020 . 1 . . . . . 26 ASN HA . 50509 1 267 . 1 . 1 26 26 ASN HB2 H 1 2.912 0.020 . 2 . . . . . 26 ASN HB2 . 50509 1 268 . 1 . 1 26 26 ASN HB3 H 1 2.772 0.020 . 2 . . . . . 26 ASN HB3 . 50509 1 269 . 1 . 1 26 26 ASN C C 13 175.314 0.3 . 1 . . . . . 26 ASN C . 50509 1 270 . 1 . 1 26 26 ASN CA C 13 54.383 0.3 . 1 . . . . . 26 ASN CA . 50509 1 271 . 1 . 1 26 26 ASN CB C 13 38.306 0.3 . 1 . . . . . 26 ASN CB . 50509 1 272 . 1 . 1 26 26 ASN N N 15 115.033 0.3 . 1 . . . . . 26 ASN N . 50509 1 273 . 1 . 1 27 27 ALA H H 1 7.501 0.020 . 1 . . . . . 27 ALA H . 50509 1 274 . 1 . 1 27 27 ALA HA H 1 4.213 0.020 . 1 . . . . . 27 ALA HA . 50509 1 275 . 1 . 1 27 27 ALA HB1 H 1 1.365 0.020 . 1 . . . . . 27 ALA HB . 50509 1 276 . 1 . 1 27 27 ALA HB2 H 1 1.365 0.020 . 1 . . . . . 27 ALA HB . 50509 1 277 . 1 . 1 27 27 ALA HB3 H 1 1.365 0.020 . 1 . . . . . 27 ALA HB . 50509 1 278 . 1 . 1 27 27 ALA C C 13 177.551 0.3 . 1 . . . . . 27 ALA C . 50509 1 279 . 1 . 1 27 27 ALA CA C 13 53.102 0.3 . 1 . . . . . 27 ALA CA . 50509 1 280 . 1 . 1 27 27 ALA CB C 13 18.932 0.3 . 1 . . . . . 27 ALA CB . 50509 1 281 . 1 . 1 27 27 ALA N N 15 120.232 0.3 . 1 . . . . . 27 ALA N . 50509 1 282 . 1 . 1 28 28 PHE H H 1 7.416 0.020 . 1 . . . . . 28 PHE H . 50509 1 283 . 1 . 1 28 28 PHE HA H 1 4.131 0.020 . 1 . . . . . 28 PHE HA . 50509 1 284 . 1 . 1 28 28 PHE HB2 H 1 3.131 0.020 . 2 . . . . . 28 PHE HB2 . 50509 1 285 . 1 . 1 28 28 PHE HB3 H 1 3.011 0.020 . 2 . . . . . 28 PHE HB3 . 50509 1 286 . 1 . 1 28 28 PHE C C 13 174.553 0.3 . 1 . . . . . 28 PHE C . 50509 1 287 . 1 . 1 28 28 PHE CA C 13 58.806 0.3 . 1 . . . . . 28 PHE CA . 50509 1 288 . 1 . 1 28 28 PHE CB C 13 39.211 0.3 . 1 . . . . . 28 PHE CB . 50509 1 289 . 1 . 1 28 28 PHE N N 15 116.851 0.3 . 1 . . . . . 28 PHE N . 50509 1 290 . 1 . 1 29 29 ARG H H 1 8.339 0.020 . 1 . . . . . 29 ARG H . 50509 1 291 . 1 . 1 29 29 ARG HA H 1 5.176 0.020 . 1 . . . . . 29 ARG HA . 50509 1 292 . 1 . 1 29 29 ARG HB2 H 1 1.604 0.020 . 1 . . . . . 29 ARG HB2 . 50509 1 293 . 1 . 1 29 29 ARG HB3 H 1 1.604 0.020 . 1 . . . . . 29 ARG HB3 . 50509 1 294 . 1 . 1 29 29 ARG HG2 H 1 1.375 0.020 . 1 . . . . . 29 ARG HG2 . 50509 1 295 . 1 . 1 29 29 ARG HG3 H 1 1.375 0.020 . 1 . . . . . 29 ARG HG3 . 50509 1 296 . 1 . 1 29 29 ARG HD2 H 1 3.076 0.020 . 1 . . . . . 29 ARG HD2 . 50509 1 297 . 1 . 1 29 29 ARG HD3 H 1 3.076 0.020 . 1 . . . . . 29 ARG HD3 . 50509 1 298 . 1 . 1 29 29 ARG C C 13 178.855 0.3 . 1 . . . . . 29 ARG C . 50509 1 299 . 1 . 1 29 29 ARG CA C 13 53.999 0.3 . 1 . . . . . 29 ARG CA . 50509 1 300 . 1 . 1 29 29 ARG CB C 13 33.331 0.3 . 1 . . . . . 29 ARG CB . 50509 1 301 . 1 . 1 29 29 ARG CG C 13 26.735 0.3 . 1 . . . . . 29 ARG CG . 50509 1 302 . 1 . 1 29 29 ARG CD C 13 43.337 0.3 . 1 . . . . . 29 ARG CD . 50509 1 303 . 1 . 1 29 29 ARG N N 15 122.724 0.3 . 1 . . . . . 29 ARG N . 50509 1 304 . 1 . 1 30 30 THR H H 1 9.046 0.020 . 1 . . . . . 30 THR H . 50509 1 305 . 1 . 1 30 30 THR C C 13 176.059 0.3 . 1 . . . . . 30 THR C . 50509 1 306 . 1 . 1 30 30 THR CA C 13 60.411 0.3 . 1 . . . . . 30 THR CA . 50509 1 307 . 1 . 1 30 30 THR CB C 13 67.878 0.3 . 1 . . . . . 30 THR CB . 50509 1 308 . 1 . 1 30 30 THR N N 15 112.824 0.3 . 1 . . . . . 30 THR N . 50509 1 309 . 1 . 1 31 31 PRO HA H 1 4.369 0.020 . 1 . . . . . 31 PRO HA . 50509 1 310 . 1 . 1 31 31 PRO HB2 H 1 2.459 0.020 . 1 . . . . . 31 PRO HB2 . 50509 1 311 . 1 . 1 31 31 PRO HB3 H 1 2.459 0.020 . 1 . . . . . 31 PRO HB3 . 50509 1 312 . 1 . 1 31 31 PRO HG2 H 1 2.169 0.020 . 2 . . . . . 31 PRO HG2 . 50509 1 313 . 1 . 1 31 31 PRO HG3 H 1 1.975 0.020 . 2 . . . . . 31 PRO HG3 . 50509 1 314 . 1 . 1 31 31 PRO HD2 H 1 3.858 0.020 . 1 . . . . . 31 PRO HD2 . 50509 1 315 . 1 . 1 31 31 PRO HD3 H 1 3.858 0.020 . 1 . . . . . 31 PRO HD3 . 50509 1 316 . 1 . 1 31 31 PRO C C 13 176.582 0.3 . 1 . . . . . 31 PRO C . 50509 1 317 . 1 . 1 31 31 PRO CA C 13 65.477 0.3 . 1 . . . . . 31 PRO CA . 50509 1 318 . 1 . 1 31 31 PRO CB C 13 31.220 0.3 . 1 . . . . . 31 PRO CB . 50509 1 319 . 1 . 1 31 31 PRO CG C 13 27.758 0.3 . 1 . . . . . 31 PRO CG . 50509 1 320 . 1 . 1 31 31 PRO CD C 13 51.026 0.3 . 1 . . . . . 31 PRO CD . 50509 1 321 . 1 . 1 32 32 ASP H H 1 7.840 0.020 . 1 . . . . . 32 ASP H . 50509 1 322 . 1 . 1 32 32 ASP HA H 1 4.547 0.020 . 1 . . . . . 32 ASP HA . 50509 1 323 . 1 . 1 32 32 ASP HB2 H 1 2.844 0.020 . 2 . . . . . 32 ASP HB2 . 50509 1 324 . 1 . 1 32 32 ASP HB3 H 1 2.722 0.020 . 2 . . . . . 32 ASP HB3 . 50509 1 325 . 1 . 1 32 32 ASP C C 13 176.478 0.3 . 1 . . . . . 32 ASP C . 50509 1 326 . 1 . 1 32 32 ASP CA C 13 53.351 0.3 . 1 . . . . . 32 ASP CA . 50509 1 327 . 1 . 1 32 32 ASP CB C 13 39.713 0.3 . 1 . . . . . 32 ASP CB . 50509 1 328 . 1 . 1 32 32 ASP N N 15 113.042 0.3 . 1 . . . . . 32 ASP N . 50509 1 329 . 1 . 1 33 33 GLY H H 1 8.558 0.020 . 1 . . . . . 33 GLY H . 50509 1 330 . 1 . 1 33 33 GLY HA2 H 1 3.940 0.020 . 1 . . . . . 33 GLY HA2 . 50509 1 331 . 1 . 1 33 33 GLY HA3 H 1 3.940 0.020 . 1 . . . . . 33 GLY HA3 . 50509 1 332 . 1 . 1 33 33 GLY C C 13 174.227 0.3 . 1 . . . . . 33 GLY C . 50509 1 333 . 1 . 1 33 33 GLY CA C 13 45.037 0.3 . 1 . . . . . 33 GLY CA . 50509 1 334 . 1 . 1 33 33 GLY N N 15 108.621 0.3 . 1 . . . . . 33 GLY N . 50509 1 335 . 1 . 1 34 34 MET H H 1 7.816 0.020 . 1 . . . . . 34 MET H . 50509 1 336 . 1 . 1 34 34 MET C C 13 174.727 0.3 . 1 . . . . . 34 MET C . 50509 1 337 . 1 . 1 34 34 MET CA C 13 56.161 0.3 . 1 . . . . . 34 MET CA . 50509 1 338 . 1 . 1 34 34 MET CB C 13 40.248 0.3 . 1 . . . . . 34 MET CB . 50509 1 339 . 1 . 1 34 34 MET N N 15 117.751 0.3 . 1 . . . . . 34 MET N . 50509 1 340 . 1 . 1 35 35 PRO HA H 1 4.837 0.020 . 1 . . . . . 35 PRO HA . 50509 1 341 . 1 . 1 35 35 PRO HB2 H 1 2.450 0.020 . 2 . . . . . 35 PRO HB2 . 50509 1 342 . 1 . 1 35 35 PRO HB3 H 1 2.701 0.020 . 2 . . . . . 35 PRO HB3 . 50509 1 343 . 1 . 1 35 35 PRO HG2 H 1 2.122 0.020 . 2 . . . . . 35 PRO HG2 . 50509 1 344 . 1 . 1 35 35 PRO HG3 H 1 1.895 0.020 . 2 . . . . . 35 PRO HG3 . 50509 1 345 . 1 . 1 35 35 PRO HD2 H 1 3.966 0.020 . 2 . . . . . 35 PRO HD2 . 50509 1 346 . 1 . 1 35 35 PRO HD3 H 1 3.562 0.020 . 2 . . . . . 35 PRO HD3 . 50509 1 347 . 1 . 1 35 35 PRO C C 13 177.593 0.3 . 1 . . . . . 35 PRO C . 50509 1 348 . 1 . 1 35 35 PRO CA C 13 63.055 0.3 . 1 . . . . . 35 PRO CA . 50509 1 349 . 1 . 1 35 35 PRO CB C 13 31.938 0.3 . 1 . . . . . 35 PRO CB . 50509 1 350 . 1 . 1 35 35 PRO CG C 13 27.665 0.3 . 1 . . . . . 35 PRO CG . 50509 1 351 . 1 . 1 35 35 PRO CD C 13 50.480 0.3 . 1 . . . . . 35 PRO CD . 50509 1 352 . 1 . 1 36 36 VAL H H 1 8.493 0.020 . 1 . . . . . 36 VAL H . 50509 1 353 . 1 . 1 36 36 VAL C C 13 175.611 0.3 . 1 . . . . . 36 VAL C . 50509 1 354 . 1 . 1 36 36 VAL CA C 13 62.939 0.3 . 1 . . . . . 36 VAL CA . 50509 1 355 . 1 . 1 36 36 VAL CB C 13 32.287 0.3 . 1 . . . . . 36 VAL CB . 50509 1 356 . 1 . 1 36 36 VAL N N 15 124.753 0.3 . 1 . . . . . 36 VAL N . 50509 1 357 . 1 . 1 37 37 LYS H H 1 8.565 0.020 . 1 . . . . . 37 LYS H . 50509 1 358 . 1 . 1 37 37 LYS HA H 1 5.105 0.020 . 1 . . . . . 37 LYS HA . 50509 1 359 . 1 . 1 37 37 LYS HB2 H 1 1.979 0.020 . 1 . . . . . 37 LYS HB2 . 50509 1 360 . 1 . 1 37 37 LYS HB3 H 1 1.979 0.020 . 1 . . . . . 37 LYS HB3 . 50509 1 361 . 1 . 1 37 37 LYS HG2 H 1 1.554 0.020 . 1 . . . . . 37 LYS HG2 . 50509 1 362 . 1 . 1 37 37 LYS HG3 H 1 1.554 0.020 . 1 . . . . . 37 LYS HG3 . 50509 1 363 . 1 . 1 37 37 LYS HD2 H 1 1.693 0.020 . 1 . . . . . 37 LYS HD2 . 50509 1 364 . 1 . 1 37 37 LYS HD3 H 1 1.693 0.020 . 1 . . . . . 37 LYS HD3 . 50509 1 365 . 1 . 1 37 37 LYS HE2 H 1 2.655 0.020 . 1 . . . . . 37 LYS HE2 . 50509 1 366 . 1 . 1 37 37 LYS HE3 H 1 2.655 0.020 . 1 . . . . . 37 LYS HE3 . 50509 1 367 . 1 . 1 37 37 LYS C C 13 176.570 0.3 . 1 . . . . . 37 LYS C . 50509 1 368 . 1 . 1 37 37 LYS CA C 13 56.234 0.3 . 1 . . . . . 37 LYS CA . 50509 1 369 . 1 . 1 37 37 LYS CB C 13 33.353 0.3 . 1 . . . . . 37 LYS CB . 50509 1 370 . 1 . 1 37 37 LYS CG C 13 27.087 0.3 . 1 . . . . . 37 LYS CG . 50509 1 371 . 1 . 1 37 37 LYS CD C 13 36.525 0.3 . 1 . . . . . 37 LYS CD . 50509 1 372 . 1 . 1 37 37 LYS CE C 13 43.466 0.3 . 1 . . . . . 37 LYS CE . 50509 1 373 . 1 . 1 37 37 LYS N N 15 126.157 0.3 . 1 . . . . . 37 LYS N . 50509 1 374 . 1 . 1 38 38 ASN H H 1 9.471 0.020 . 1 . . . . . 38 ASN H . 50509 1 375 . 1 . 1 38 38 ASN C C 13 175.854 0.3 . 1 . . . . . 38 ASN C . 50509 1 376 . 1 . 1 38 38 ASN CA C 13 54.605 0.3 . 1 . . . . . 38 ASN CA . 50509 1 377 . 1 . 1 38 38 ASN CB C 13 42.790 0.3 . 1 . . . . . 38 ASN CB . 50509 1 378 . 1 . 1 38 38 ASN N N 15 129.075 0.3 . 1 . . . . . 38 ASN N . 50509 1 379 . 1 . 1 42 42 LYS HA H 1 5.190 0.020 . 1 . . . . . 42 LYS HA . 50509 1 380 . 1 . 1 42 42 LYS HG2 H 1 1.230 0.020 . 1 . . . . . 42 LYS HG2 . 50509 1 381 . 1 . 1 42 42 LYS HG3 H 1 1.230 0.020 . 1 . . . . . 42 LYS HG3 . 50509 1 382 . 1 . 1 42 42 LYS HD2 H 1 0.761 0.020 . 1 . . . . . 42 LYS HD2 . 50509 1 383 . 1 . 1 42 42 LYS HD3 H 1 0.761 0.020 . 1 . . . . . 42 LYS HD3 . 50509 1 384 . 1 . 1 42 42 LYS C C 13 175.817 0.3 . 1 . . . . . 42 LYS C . 50509 1 385 . 1 . 1 42 42 LYS CA C 13 56.647 0.3 . 1 . . . . . 42 LYS CA . 50509 1 386 . 1 . 1 42 42 LYS CB C 13 33.969 0.3 . 1 . . . . . 42 LYS CB . 50509 1 387 . 1 . 1 43 43 GLU H H 1 8.422 0.020 . 1 . . . . . 43 GLU H . 50509 1 388 . 1 . 1 43 43 GLU C C 13 175.178 0.3 . 1 . . . . . 43 GLU C . 50509 1 389 . 1 . 1 43 43 GLU CA C 13 54.428 0.3 . 1 . . . . . 43 GLU CA . 50509 1 390 . 1 . 1 43 43 GLU CB C 13 34.384 0.3 . 1 . . . . . 43 GLU CB . 50509 1 391 . 1 . 1 43 43 GLU N N 15 118.598 0.3 . 1 . . . . . 43 GLU N . 50509 1 392 . 1 . 1 44 44 TYR H H 1 8.727 0.020 . 1 . . . . . 44 TYR H . 50509 1 393 . 1 . 1 44 44 TYR CA C 13 58.710 0.3 . 1 . . . . . 44 TYR CA . 50509 1 394 . 1 . 1 44 44 TYR CB C 13 39.500 0.3 . 1 . . . . . 44 TYR CB . 50509 1 395 . 1 . 1 44 44 TYR N N 15 123.048 0.3 . 1 . . . . . 44 TYR N . 50509 1 396 . 1 . 1 45 45 ASN HA H 1 4.696 0.020 . 1 . . . . . 45 ASN HA . 50509 1 397 . 1 . 1 45 45 ASN HB2 H 1 2.756 0.020 . 2 . . . . . 45 ASN HB2 . 50509 1 398 . 1 . 1 45 45 ASN HB3 H 1 2.541 0.020 . 2 . . . . . 45 ASN HB3 . 50509 1 399 . 1 . 1 45 45 ASN C C 13 174.816 0.3 . 1 . . . . . 45 ASN C . 50509 1 400 . 1 . 1 45 45 ASN CA C 13 53.001 0.3 . 1 . . . . . 45 ASN CA . 50509 1 401 . 1 . 1 45 45 ASN CB C 13 38.644 0.3 . 1 . . . . . 45 ASN CB . 50509 1 402 . 1 . 1 46 46 THR H H 1 8.137 0.020 . 1 . . . . . 46 THR H . 50509 1 403 . 1 . 1 46 46 THR HA H 1 4.260 0.020 . 1 . . . . . 46 THR HA . 50509 1 404 . 1 . 1 46 46 THR HB H 1 4.213 0.020 . 1 . . . . . 46 THR HB . 50509 1 405 . 1 . 1 46 46 THR HG21 H 1 1.114 0.020 . 1 . . . . . 46 THR HG2 . 50509 1 406 . 1 . 1 46 46 THR HG22 H 1 1.114 0.020 . 1 . . . . . 46 THR HG2 . 50509 1 407 . 1 . 1 46 46 THR HG23 H 1 1.114 0.020 . 1 . . . . . 46 THR HG2 . 50509 1 408 . 1 . 1 46 46 THR C C 13 175.006 0.3 . 1 . . . . . 46 THR C . 50509 1 409 . 1 . 1 46 46 THR CA C 13 62.010 0.3 . 1 . . . . . 46 THR CA . 50509 1 410 . 1 . 1 46 46 THR CB C 13 69.630 0.3 . 1 . . . . . 46 THR CB . 50509 1 411 . 1 . 1 46 46 THR CG2 C 13 21.431 0.3 . 1 . . . . . 46 THR CG2 . 50509 1 412 . 1 . 1 46 46 THR N N 15 112.693 0.3 . 1 . . . . . 46 THR N . 50509 1 413 . 1 . 1 47 47 GLY H H 1 8.419 0.020 . 1 . . . . . 47 GLY H . 50509 1 414 . 1 . 1 47 47 GLY HA2 H 1 3.831 0.020 . 2 . . . . . 47 GLY HA2 . 50509 1 415 . 1 . 1 47 47 GLY HA3 H 1 3.663 0.020 . 2 . . . . . 47 GLY HA3 . 50509 1 416 . 1 . 1 47 47 GLY C C 13 173.762 0.3 . 1 . . . . . 47 GLY C . 50509 1 417 . 1 . 1 47 47 GLY CA C 13 45.091 0.3 . 1 . . . . . 47 GLY CA . 50509 1 418 . 1 . 1 47 47 GLY N N 15 110.733 0.3 . 1 . . . . . 47 GLY N . 50509 1 419 . 1 . 1 48 48 TYR H H 1 8.027 0.020 . 1 . . . . . 48 TYR H . 50509 1 420 . 1 . 1 48 48 TYR C C 13 175.425 0.3 . 1 . . . . . 48 TYR C . 50509 1 421 . 1 . 1 48 48 TYR CA C 13 58.046 0.3 . 1 . . . . . 48 TYR CA . 50509 1 422 . 1 . 1 48 48 TYR CB C 13 38.610 0.3 . 1 . . . . . 48 TYR CB . 50509 1 423 . 1 . 1 48 48 TYR N N 15 120.208 0.3 . 1 . . . . . 48 TYR N . 50509 1 424 . 1 . 1 50 50 TYR C C 13 176.350 0.3 . 1 . . . . . 50 TYR C . 50509 1 425 . 1 . 1 50 50 TYR CA C 13 55.579 0.3 . 1 . . . . . 50 TYR CA . 50509 1 426 . 1 . 1 50 50 TYR CB C 13 33.059 0.3 . 1 . . . . . 50 TYR CB . 50509 1 427 . 1 . 1 51 51 GLY H H 1 8.354 0.020 . 1 . . . . . 51 GLY H . 50509 1 428 . 1 . 1 51 51 GLY HA2 H 1 3.977 0.020 . 1 . . . . . 51 GLY HA2 . 50509 1 429 . 1 . 1 51 51 GLY HA3 H 1 3.977 0.020 . 1 . . . . . 51 GLY HA3 . 50509 1 430 . 1 . 1 51 51 GLY C C 13 173.326 0.3 . 1 . . . . . 51 GLY C . 50509 1 431 . 1 . 1 51 51 GLY CA C 13 45.589 0.3 . 1 . . . . . 51 GLY CA . 50509 1 432 . 1 . 1 51 51 GLY N N 15 109.426 0.3 . 1 . . . . . 51 GLY N . 50509 1 433 . 1 . 1 52 52 TYR H H 1 8.184 0.020 . 1 . . . . . 52 TYR H . 50509 1 434 . 1 . 1 52 52 TYR HA H 1 4.558 0.020 . 1 . . . . . 52 TYR HA . 50509 1 435 . 1 . 1 52 52 TYR HB2 H 1 2.984 0.020 . 1 . . . . . 52 TYR HB2 . 50509 1 436 . 1 . 1 52 52 TYR HB3 H 1 2.984 0.020 . 1 . . . . . 52 TYR HB3 . 50509 1 437 . 1 . 1 52 52 TYR C C 13 177.348 0.3 . 1 . . . . . 52 TYR C . 50509 1 438 . 1 . 1 52 52 TYR CA C 13 52.930 0.3 . 1 . . . . . 52 TYR CA . 50509 1 439 . 1 . 1 52 52 TYR CB C 13 43.978 0.3 . 1 . . . . . 52 TYR CB . 50509 1 440 . 1 . 1 52 52 TYR N N 15 119.068 0.3 . 1 . . . . . 52 TYR N . 50509 1 441 . 1 . 1 53 53 VAL H H 1 8.407 0.020 . 1 . . . . . 53 VAL H . 50509 1 442 . 1 . 1 53 53 VAL HA H 1 4.642 0.020 . 1 . . . . . 53 VAL HA . 50509 1 443 . 1 . 1 53 53 VAL HB H 1 2.121 0.020 . 1 . . . . . 53 VAL HB . 50509 1 444 . 1 . 1 53 53 VAL HG11 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG1 . 50509 1 445 . 1 . 1 53 53 VAL HG12 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG1 . 50509 1 446 . 1 . 1 53 53 VAL HG13 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG1 . 50509 1 447 . 1 . 1 53 53 VAL HG21 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG2 . 50509 1 448 . 1 . 1 53 53 VAL HG22 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG2 . 50509 1 449 . 1 . 1 53 53 VAL HG23 H 1 0.994 0.020 . 1 . . . . . 53 VAL HG2 . 50509 1 450 . 1 . 1 53 53 VAL C C 13 175.174 0.3 . 1 . . . . . 53 VAL C . 50509 1 451 . 1 . 1 53 53 VAL CA C 13 60.739 0.3 . 1 . . . . . 53 VAL CA . 50509 1 452 . 1 . 1 53 53 VAL CB C 13 34.378 0.3 . 1 . . . . . 53 VAL CB . 50509 1 453 . 1 . 1 53 53 VAL CG1 C 13 24.742 0.3 . 1 . . . . . 53 VAL CG1 . 50509 1 454 . 1 . 1 53 53 VAL CG2 C 13 21.791 0.3 . 1 . . . . . 53 VAL CG2 . 50509 1 455 . 1 . 1 53 53 VAL N N 15 118.841 0.3 . 1 . . . . . 53 VAL N . 50509 1 456 . 1 . 1 54 54 CYS H H 1 9.093 0.020 . 1 . . . . . 54 CYS H . 50509 1 457 . 1 . 1 54 54 CYS HA H 1 5.820 0.020 . 1 . . . . . 54 CYS HA . 50509 1 458 . 1 . 1 54 54 CYS HB2 H 1 3.104 0.020 . 1 . . . . . 54 CYS HB2 . 50509 1 459 . 1 . 1 54 54 CYS HB3 H 1 3.104 0.020 . 1 . . . . . 54 CYS HB3 . 50509 1 460 . 1 . 1 54 54 CYS C C 13 173.019 0.3 . 1 . . . . . 54 CYS C . 50509 1 461 . 1 . 1 54 54 CYS CA C 13 55.024 0.3 . 1 . . . . . 54 CYS CA . 50509 1 462 . 1 . 1 54 54 CYS CB C 13 46.599 0.3 . 1 . . . . . 54 CYS CB . 50509 1 463 . 1 . 1 54 54 CYS N N 15 123.179 0.3 . 1 . . . . . 54 CYS N . 50509 1 464 . 1 . 1 55 55 VAL H H 1 9.329 0.020 . 1 . . . . . 55 VAL H . 50509 1 465 . 1 . 1 55 55 VAL HA H 1 4.856 0.020 . 1 . . . . . 55 VAL HA . 50509 1 466 . 1 . 1 55 55 VAL HB H 1 1.554 0.020 . 1 . . . . . 55 VAL HB . 50509 1 467 . 1 . 1 55 55 VAL HG11 H 1 0.575 0.020 . 2 . . . . . 55 VAL HG1 . 50509 1 468 . 1 . 1 55 55 VAL HG12 H 1 0.575 0.020 . 2 . . . . . 55 VAL HG1 . 50509 1 469 . 1 . 1 55 55 VAL HG13 H 1 0.575 0.020 . 2 . . . . . 55 VAL HG1 . 50509 1 470 . 1 . 1 55 55 VAL HG21 H 1 0.367 0.020 . 2 . . . . . 55 VAL HG2 . 50509 1 471 . 1 . 1 55 55 VAL HG22 H 1 0.367 0.020 . 2 . . . . . 55 VAL HG2 . 50509 1 472 . 1 . 1 55 55 VAL HG23 H 1 0.367 0.020 . 2 . . . . . 55 VAL HG2 . 50509 1 473 . 1 . 1 55 55 VAL C C 13 172.675 0.3 . 1 . . . . . 55 VAL C . 50509 1 474 . 1 . 1 55 55 VAL CA C 13 59.575 0.3 . 1 . . . . . 55 VAL CA . 50509 1 475 . 1 . 1 55 55 VAL CB C 13 33.972 0.3 . 1 . . . . . 55 VAL CB . 50509 1 476 . 1 . 1 55 55 VAL CG1 C 13 21.127 0.3 . 1 . . . . . 55 VAL CG1 . 50509 1 477 . 1 . 1 55 55 VAL CG2 C 13 20.389 0.3 . 1 . . . . . 55 VAL CG2 . 50509 1 478 . 1 . 1 55 55 VAL N N 15 120.386 0.3 . 1 . . . . . 55 VAL N . 50509 1 479 . 1 . 1 56 56 GLU H H 1 8.888 0.020 . 1 . . . . . 56 GLU H . 50509 1 480 . 1 . 1 56 56 GLU HA H 1 5.255 0.020 . 1 . . . . . 56 GLU HA . 50509 1 481 . 1 . 1 56 56 GLU HB2 H 1 1.975 0.020 . 1 . . . . . 56 GLU HB2 . 50509 1 482 . 1 . 1 56 56 GLU HB3 H 1 1.975 0.020 . 1 . . . . . 56 GLU HB3 . 50509 1 483 . 1 . 1 56 56 GLU HG2 H 1 2.641 0.020 . 1 . . . . . 56 GLU HG2 . 50509 1 484 . 1 . 1 56 56 GLU HG3 H 1 2.641 0.020 . 1 . . . . . 56 GLU HG3 . 50509 1 485 . 1 . 1 56 56 GLU C C 13 176.245 0.3 . 1 . . . . . 56 GLU C . 50509 1 486 . 1 . 1 56 56 GLU CA C 13 54.141 0.3 . 1 . . . . . 56 GLU CA . 50509 1 487 . 1 . 1 56 56 GLU CB C 13 33.578 0.3 . 1 . . . . . 56 GLU CB . 50509 1 488 . 1 . 1 56 56 GLU CG C 13 36.548 0.3 . 1 . . . . . 56 GLU CG . 50509 1 489 . 1 . 1 56 56 GLU N N 15 124.014 0.3 . 1 . . . . . 56 GLU N . 50509 1 490 . 1 . 1 57 57 PHE H H 1 9.431 0.020 . 1 . . . . . 57 PHE H . 50509 1 491 . 1 . 1 57 57 PHE HA H 1 4.555 0.020 . 1 . . . . . 57 PHE HA . 50509 1 492 . 1 . 1 57 57 PHE HB2 H 1 3.328 0.020 . 2 . . . . . 57 PHE HB2 . 50509 1 493 . 1 . 1 57 57 PHE HB3 H 1 2.988 0.020 . 2 . . . . . 57 PHE HB3 . 50509 1 494 . 1 . 1 57 57 PHE C C 13 176.092 0.3 . 1 . . . . . 57 PHE C . 50509 1 495 . 1 . 1 57 57 PHE CA C 13 57.507 0.3 . 1 . . . . . 57 PHE CA . 50509 1 496 . 1 . 1 57 57 PHE CB C 13 40.526 0.3 . 1 . . . . . 57 PHE CB . 50509 1 497 . 1 . 1 57 57 PHE N N 15 128.981 0.3 . 1 . . . . . 57 PHE N . 50509 1 498 . 1 . 1 58 58 SER H H 1 8.787 0.020 . 1 . . . . . 58 SER H . 50509 1 499 . 1 . 1 58 58 SER HA H 1 4.340 0.020 . 1 . . . . . 58 SER HA . 50509 1 500 . 1 . 1 58 58 SER HB2 H 1 3.987 0.020 . 1 . . . . . 58 SER HB2 . 50509 1 501 . 1 . 1 58 58 SER HB3 H 1 3.987 0.020 . 1 . . . . . 58 SER HB3 . 50509 1 502 . 1 . 1 58 58 SER C C 13 175.935 0.3 . 1 . . . . . 58 SER C . 50509 1 503 . 1 . 1 58 58 SER CA C 13 61.102 0.3 . 1 . . . . . 58 SER CA . 50509 1 504 . 1 . 1 58 58 SER CB C 13 63.147 0.3 . 1 . . . . . 58 SER CB . 50509 1 505 . 1 . 1 58 58 SER N N 15 117.687 0.3 . 1 . . . . . 58 SER N . 50509 1 506 . 1 . 1 59 59 LEU H H 1 8.287 0.020 . 1 . . . . . 59 LEU H . 50509 1 507 . 1 . 1 59 59 LEU HA H 1 4.856 0.020 . 1 . . . . . 59 LEU HA . 50509 1 508 . 1 . 1 59 59 LEU HB2 H 1 1.696 0.020 . 1 . . . . . 59 LEU HB2 . 50509 1 509 . 1 . 1 59 59 LEU HB3 H 1 1.696 0.020 . 1 . . . . . 59 LEU HB3 . 50509 1 510 . 1 . 1 59 59 LEU HG H 1 1.900 0.020 . 1 . . . . . 59 LEU HG . 50509 1 511 . 1 . 1 59 59 LEU HD11 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD1 . 50509 1 512 . 1 . 1 59 59 LEU HD12 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD1 . 50509 1 513 . 1 . 1 59 59 LEU HD13 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD1 . 50509 1 514 . 1 . 1 59 59 LEU HD21 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD2 . 50509 1 515 . 1 . 1 59 59 LEU HD22 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD2 . 50509 1 516 . 1 . 1 59 59 LEU HD23 H 1 0.991 0.020 . 1 . . . . . 59 LEU HD2 . 50509 1 517 . 1 . 1 59 59 LEU C C 13 177.420 0.3 . 1 . . . . . 59 LEU C . 50509 1 518 . 1 . 1 59 59 LEU CA C 13 52.957 0.3 . 1 . . . . . 59 LEU CA . 50509 1 519 . 1 . 1 59 59 LEU CB C 13 43.932 0.3 . 1 . . . . . 59 LEU CB . 50509 1 520 . 1 . 1 59 59 LEU CG C 13 26.631 0.3 . 1 . . . . . 59 LEU CG . 50509 1 521 . 1 . 1 59 59 LEU CD1 C 13 23.248 0.3 . 1 . . . . . 59 LEU CD1 . 50509 1 522 . 1 . 1 59 59 LEU CD2 C 13 24.919 0.3 . 1 . . . . . 59 LEU CD2 . 50509 1 523 . 1 . 1 59 59 LEU N N 15 119.160 0.3 . 1 . . . . . 59 LEU N . 50509 1 524 . 1 . 1 60 60 LEU H H 1 9.202 0.020 . 1 . . . . . 60 LEU H . 50509 1 525 . 1 . 1 60 60 LEU HA H 1 3.861 0.020 . 1 . . . . . 60 LEU HA . 50509 1 526 . 1 . 1 60 60 LEU HB2 H 1 1.743 0.020 . 1 . . . . . 60 LEU HB2 . 50509 1 527 . 1 . 1 60 60 LEU HB3 H 1 1.743 0.020 . 1 . . . . . 60 LEU HB3 . 50509 1 528 . 1 . 1 60 60 LEU HG H 1 1.486 0.020 . 1 . . . . . 60 LEU HG . 50509 1 529 . 1 . 1 60 60 LEU HD11 H 1 0.810 0.020 . 2 . . . . . 60 LEU HD1 . 50509 1 530 . 1 . 1 60 60 LEU HD12 H 1 0.810 0.020 . 2 . . . . . 60 LEU HD1 . 50509 1 531 . 1 . 1 60 60 LEU HD13 H 1 0.810 0.020 . 2 . . . . . 60 LEU HD1 . 50509 1 532 . 1 . 1 60 60 LEU HD21 H 1 0.647 0.020 . 2 . . . . . 60 LEU HD2 . 50509 1 533 . 1 . 1 60 60 LEU HD22 H 1 0.647 0.020 . 2 . . . . . 60 LEU HD2 . 50509 1 534 . 1 . 1 60 60 LEU HD23 H 1 0.647 0.020 . 2 . . . . . 60 LEU HD2 . 50509 1 535 . 1 . 1 60 60 LEU C C 13 177.567 0.3 . 1 . . . . . 60 LEU C . 50509 1 536 . 1 . 1 60 60 LEU CA C 13 58.204 0.3 . 1 . . . . . 60 LEU CA . 50509 1 537 . 1 . 1 60 60 LEU CB C 13 41.283 0.3 . 1 . . . . . 60 LEU CB . 50509 1 538 . 1 . 1 60 60 LEU CG C 13 25.406 0.3 . 1 . . . . . 60 LEU CG . 50509 1 539 . 1 . 1 60 60 LEU CD1 C 13 22.455 0.3 . 1 . . . . . 60 LEU CD1 . 50509 1 540 . 1 . 1 60 60 LEU N N 15 127.348 0.3 . 1 . . . . . 60 LEU N . 50509 1 541 . 1 . 1 61 61 GLU H H 1 9.644 0.020 . 1 . . . . . 61 GLU H . 50509 1 542 . 1 . 1 61 61 GLU HA H 1 3.900 0.020 . 1 . . . . . 61 GLU HA . 50509 1 543 . 1 . 1 61 61 GLU HB2 H 1 1.981 0.020 . 1 . . . . . 61 GLU HB2 . 50509 1 544 . 1 . 1 61 61 GLU HB3 H 1 1.981 0.020 . 1 . . . . . 61 GLU HB3 . 50509 1 545 . 1 . 1 61 61 GLU HG2 H 1 2.394 0.020 . 2 . . . . . 61 GLU HG2 . 50509 1 546 . 1 . 1 61 61 GLU HG3 H 1 2.262 0.020 . 2 . . . . . 61 GLU HG3 . 50509 1 547 . 1 . 1 61 61 GLU C C 13 179.073 0.3 . 1 . . . . . 61 GLU C . 50509 1 548 . 1 . 1 61 61 GLU CA C 13 60.012 0.3 . 1 . . . . . 61 GLU CA . 50509 1 549 . 1 . 1 61 61 GLU CB C 13 28.492 0.3 . 1 . . . . . 61 GLU CB . 50509 1 550 . 1 . 1 61 61 GLU CG C 13 36.770 0.3 . 1 . . . . . 61 GLU CG . 50509 1 551 . 1 . 1 61 61 GLU N N 15 115.661 0.3 . 1 . . . . . 61 GLU N . 50509 1 552 . 1 . 1 62 62 ASP H H 1 6.927 0.020 . 1 . . . . . 62 ASP H . 50509 1 553 . 1 . 1 62 62 ASP HA H 1 4.512 0.020 . 1 . . . . . 62 ASP HA . 50509 1 554 . 1 . 1 62 62 ASP HB2 H 1 3.151 0.020 . 2 . . . . . 62 ASP HB2 . 50509 1 555 . 1 . 1 62 62 ASP HB3 H 1 2.776 0.020 . 2 . . . . . 62 ASP HB3 . 50509 1 556 . 1 . 1 62 62 ASP C C 13 176.866 0.3 . 1 . . . . . 62 ASP C . 50509 1 557 . 1 . 1 62 62 ASP CA C 13 56.498 0.3 . 1 . . . . . 62 ASP CA . 50509 1 558 . 1 . 1 62 62 ASP CB C 13 40.719 0.3 . 1 . . . . . 62 ASP CB . 50509 1 559 . 1 . 1 62 62 ASP N N 15 119.127 0.3 . 1 . . . . . 62 ASP N . 50509 1 560 . 1 . 1 63 63 ALA H H 1 6.947 0.020 . 1 . . . . . 63 ALA H . 50509 1 561 . 1 . 1 63 63 ALA HA H 1 4.461 0.020 . 1 . . . . . 63 ALA HA . 50509 1 562 . 1 . 1 63 63 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 63 ALA HB . 50509 1 563 . 1 . 1 63 63 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 63 ALA HB . 50509 1 564 . 1 . 1 63 63 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 63 ALA HB . 50509 1 565 . 1 . 1 63 63 ALA C C 13 178.483 0.3 . 1 . . . . . 63 ALA C . 50509 1 566 . 1 . 1 63 63 ALA CA C 13 54.768 0.3 . 1 . . . . . 63 ALA CA . 50509 1 567 . 1 . 1 63 63 ALA CB C 13 18.988 0.3 . 1 . . . . . 63 ALA CB . 50509 1 568 . 1 . 1 63 63 ALA N N 15 125.849 0.3 . 1 . . . . . 63 ALA N . 50509 1 569 . 1 . 1 64 64 ILE H H 1 8.184 0.020 . 1 . . . . . 64 ILE H . 50509 1 570 . 1 . 1 64 64 ILE HA H 1 4.173 0.020 . 1 . . . . . 64 ILE HA . 50509 1 571 . 1 . 1 64 64 ILE HB H 1 1.556 0.020 . 1 . . . . . 64 ILE HB . 50509 1 572 . 1 . 1 64 64 ILE HG12 H 1 1.092 0.020 . 1 . . . . . 64 ILE HG12 . 50509 1 573 . 1 . 1 64 64 ILE HG13 H 1 1.092 0.020 . 1 . . . . . 64 ILE HG13 . 50509 1 574 . 1 . 1 64 64 ILE HG21 H 1 0.716 0.020 . 1 . . . . . 64 ILE HG2 . 50509 1 575 . 1 . 1 64 64 ILE HG22 H 1 0.716 0.020 . 1 . . . . . 64 ILE HG2 . 50509 1 576 . 1 . 1 64 64 ILE HG23 H 1 0.716 0.020 . 1 . . . . . 64 ILE HG2 . 50509 1 577 . 1 . 1 64 64 ILE HD11 H 1 0.854 0.020 . 1 . . . . . 64 ILE HD1 . 50509 1 578 . 1 . 1 64 64 ILE HD12 H 1 0.854 0.020 . 1 . . . . . 64 ILE HD1 . 50509 1 579 . 1 . 1 64 64 ILE HD13 H 1 0.854 0.020 . 1 . . . . . 64 ILE HD1 . 50509 1 580 . 1 . 1 64 64 ILE C C 13 178.745 0.3 . 1 . . . . . 64 ILE C . 50509 1 581 . 1 . 1 64 64 ILE CA C 13 64.029 0.3 . 1 . . . . . 64 ILE CA . 50509 1 582 . 1 . 1 64 64 ILE CB C 13 38.834 0.3 . 1 . . . . . 64 ILE CB . 50509 1 583 . 1 . 1 64 64 ILE CG1 C 13 27.520 0.3 . 1 . . . . . 64 ILE CG1 . 50509 1 584 . 1 . 1 64 64 ILE CG2 C 13 16.733 0.3 . 1 . . . . . 64 ILE CG2 . 50509 1 585 . 1 . 1 64 64 ILE CD1 C 13 14.722 0.3 . 1 . . . . . 64 ILE CD1 . 50509 1 586 . 1 . 1 64 64 ILE N N 15 116.871 0.3 . 1 . . . . . 64 ILE N . 50509 1 587 . 1 . 1 65 65 GLY H H 1 7.866 0.020 . 1 . . . . . 65 GLY H . 50509 1 588 . 1 . 1 65 65 GLY HA2 H 1 3.898 0.020 . 1 . . . . . 65 GLY HA2 . 50509 1 589 . 1 . 1 65 65 GLY HA3 H 1 3.898 0.020 . 1 . . . . . 65 GLY HA3 . 50509 1 590 . 1 . 1 65 65 GLY C C 13 176.667 0.3 . 1 . . . . . 65 GLY C . 50509 1 591 . 1 . 1 65 65 GLY CA C 13 46.892 0.3 . 1 . . . . . 65 GLY CA . 50509 1 592 . 1 . 1 65 65 GLY N N 15 105.083 0.3 . 1 . . . . . 65 GLY N . 50509 1 593 . 1 . 1 66 66 CYS H H 1 7.890 0.020 . 1 . . . . . 66 CYS H . 50509 1 594 . 1 . 1 66 66 CYS HA H 1 4.328 0.020 . 1 . . . . . 66 CYS HA . 50509 1 595 . 1 . 1 66 66 CYS HB2 H 1 2.924 0.020 . 1 . . . . . 66 CYS HB2 . 50509 1 596 . 1 . 1 66 66 CYS HB3 H 1 2.924 0.020 . 1 . . . . . 66 CYS HB3 . 50509 1 597 . 1 . 1 66 66 CYS C C 13 177.070 0.3 . 1 . . . . . 66 CYS C . 50509 1 598 . 1 . 1 66 66 CYS CA C 13 62.971 0.3 . 1 . . . . . 66 CYS CA . 50509 1 599 . 1 . 1 66 66 CYS CB C 13 26.923 0.3 . 1 . . . . . 66 CYS CB . 50509 1 600 . 1 . 1 66 66 CYS N N 15 120.664 0.3 . 1 . . . . . 66 CYS N . 50509 1 601 . 1 . 1 67 67 MET H H 1 8.405 0.020 . 1 . . . . . 67 MET H . 50509 1 602 . 1 . 1 67 67 MET HA H 1 4.154 0.020 . 1 . . . . . 67 MET HA . 50509 1 603 . 1 . 1 67 67 MET HB2 H 1 2.211 0.020 . 2 . . . . . 67 MET HB2 . 50509 1 604 . 1 . 1 67 67 MET HB3 H 1 2.389 0.020 . 2 . . . . . 67 MET HB3 . 50509 1 605 . 1 . 1 67 67 MET HG2 H 1 3.333 0.020 . 2 . . . . . 67 MET HG2 . 50509 1 606 . 1 . 1 67 67 MET HG3 H 1 2.986 0.020 . 2 . . . . . 67 MET HG3 . 50509 1 607 . 1 . 1 67 67 MET C C 13 178.995 0.3 . 1 . . . . . 67 MET C . 50509 1 608 . 1 . 1 67 67 MET CA C 13 57.780 0.3 . 1 . . . . . 67 MET CA . 50509 1 609 . 1 . 1 67 67 MET CB C 13 31.214 0.3 . 1 . . . . . 67 MET CB . 50509 1 610 . 1 . 1 67 67 MET CG C 13 31.775 0.3 . 1 . . . . . 67 MET CG . 50509 1 611 . 1 . 1 67 67 MET N N 15 120.936 0.3 . 1 . . . . . 67 MET N . 50509 1 612 . 1 . 1 68 68 GLU H H 1 8.737 0.020 . 1 . . . . . 68 GLU H . 50509 1 613 . 1 . 1 68 68 GLU HA H 1 4.106 0.020 . 1 . . . . . 68 GLU HA . 50509 1 614 . 1 . 1 68 68 GLU HB2 H 1 2.532 0.020 . 2 . . . . . 68 GLU HB2 . 50509 1 615 . 1 . 1 68 68 GLU HB3 H 1 2.279 0.020 . 2 . . . . . 68 GLU HB3 . 50509 1 616 . 1 . 1 68 68 GLU HG2 H 1 2.072 0.020 . 1 . . . . . 68 GLU HG2 . 50509 1 617 . 1 . 1 68 68 GLU HG3 H 1 2.072 0.020 . 1 . . . . . 68 GLU HG3 . 50509 1 618 . 1 . 1 68 68 GLU C C 13 179.909 0.3 . 1 . . . . . 68 GLU C . 50509 1 619 . 1 . 1 68 68 GLU CA C 13 58.325 0.3 . 1 . . . . . 68 GLU CA . 50509 1 620 . 1 . 1 68 68 GLU CB C 13 29.260 0.3 . 1 . . . . . 68 GLU CB . 50509 1 621 . 1 . 1 68 68 GLU CG C 13 36.475 0.3 . 1 . . . . . 68 GLU CG . 50509 1 622 . 1 . 1 68 68 GLU N N 15 117.200 0.3 . 1 . . . . . 68 GLU N . 50509 1 623 . 1 . 1 69 69 ALA H H 1 8.223 0.020 . 1 . . . . . 69 ALA H . 50509 1 624 . 1 . 1 69 69 ALA HA H 1 4.188 0.020 . 1 . . . . . 69 ALA HA . 50509 1 625 . 1 . 1 69 69 ALA HB1 H 1 1.532 0.020 . 1 . . . . . 69 ALA HB . 50509 1 626 . 1 . 1 69 69 ALA HB2 H 1 1.532 0.020 . 1 . . . . . 69 ALA HB . 50509 1 627 . 1 . 1 69 69 ALA HB3 H 1 1.532 0.020 . 1 . . . . . 69 ALA HB . 50509 1 628 . 1 . 1 69 69 ALA C C 13 178.980 0.3 . 1 . . . . . 69 ALA C . 50509 1 629 . 1 . 1 69 69 ALA CA C 13 55.056 0.3 . 1 . . . . . 69 ALA CA . 50509 1 630 . 1 . 1 69 69 ALA CB C 13 18.404 0.3 . 1 . . . . . 69 ALA CB . 50509 1 631 . 1 . 1 69 69 ALA N N 15 122.027 0.3 . 1 . . . . . 69 ALA N . 50509 1 632 . 1 . 1 70 70 ASN H H 1 7.837 0.020 . 1 . . . . . 70 ASN H . 50509 1 633 . 1 . 1 70 70 ASN HA H 1 4.887 0.020 . 1 . . . . . 70 ASN HA . 50509 1 634 . 1 . 1 70 70 ASN HB2 H 1 3.346 0.020 . 2 . . . . . 70 ASN HB2 . 50509 1 635 . 1 . 1 70 70 ASN HB3 H 1 2.632 0.020 . 2 . . . . . 70 ASN HB3 . 50509 1 636 . 1 . 1 70 70 ASN C C 13 174.757 0.3 . 1 . . . . . 70 ASN C . 50509 1 637 . 1 . 1 70 70 ASN CA C 13 53.081 0.3 . 1 . . . . . 70 ASN CA . 50509 1 638 . 1 . 1 70 70 ASN CB C 13 38.815 0.3 . 1 . . . . . 70 ASN CB . 50509 1 639 . 1 . 1 70 70 ASN N N 15 112.092 0.3 . 1 . . . . . 70 ASN N . 50509 1 640 . 1 . 1 71 71 GLN H H 1 7.981 0.020 . 1 . . . . . 71 GLN H . 50509 1 641 . 1 . 1 71 71 GLN HA H 1 3.990 0.020 . 1 . . . . . 71 GLN HA . 50509 1 642 . 1 . 1 71 71 GLN HB2 H 1 2.355 0.020 . 1 . . . . . 71 GLN HB2 . 50509 1 643 . 1 . 1 71 71 GLN HB3 H 1 2.355 0.020 . 1 . . . . . 71 GLN HB3 . 50509 1 644 . 1 . 1 71 71 GLN HG2 H 1 2.532 0.020 . 1 . . . . . 71 GLN HG2 . 50509 1 645 . 1 . 1 71 71 GLN HG3 H 1 2.532 0.020 . 1 . . . . . 71 GLN HG3 . 50509 1 646 . 1 . 1 71 71 GLN C C 13 176.401 0.3 . 1 . . . . . 71 GLN C . 50509 1 647 . 1 . 1 71 71 GLN CA C 13 56.787 0.3 . 1 . . . . . 71 GLN CA . 50509 1 648 . 1 . 1 71 71 GLN CB C 13 26.169 0.3 . 1 . . . . . 71 GLN CB . 50509 1 649 . 1 . 1 71 71 GLN CG C 13 34.187 0.3 . 1 . . . . . 71 GLN CG . 50509 1 650 . 1 . 1 71 71 GLN N N 15 116.419 0.3 . 1 . . . . . 71 GLN N . 50509 1 651 . 1 . 1 72 72 GLY H H 1 8.354 0.020 . 1 . . . . . 72 GLY H . 50509 1 652 . 1 . 1 72 72 GLY HA2 H 1 4.156 0.020 . 2 . . . . . 72 GLY HA2 . 50509 1 653 . 1 . 1 72 72 GLY HA3 H 1 3.731 0.020 . 2 . . . . . 72 GLY HA3 . 50509 1 654 . 1 . 1 72 72 GLY C C 13 173.422 0.3 . 1 . . . . . 72 GLY C . 50509 1 655 . 1 . 1 72 72 GLY CA C 13 46.814 0.3 . 1 . . . . . 72 GLY CA . 50509 1 656 . 1 . 1 72 72 GLY N N 15 103.099 0.3 . 1 . . . . . 72 GLY N . 50509 1 657 . 1 . 1 73 73 THR H H 1 7.563 0.020 . 1 . . . . . 73 THR H . 50509 1 658 . 1 . 1 73 73 THR HA H 1 5.400 0.020 . 1 . . . . . 73 THR HA . 50509 1 659 . 1 . 1 73 73 THR HB H 1 4.044 0.020 . 1 . . . . . 73 THR HB . 50509 1 660 . 1 . 1 73 73 THR HG21 H 1 1.138 0.020 . 1 . . . . . 73 THR HG2 . 50509 1 661 . 1 . 1 73 73 THR HG22 H 1 1.138 0.020 . 1 . . . . . 73 THR HG2 . 50509 1 662 . 1 . 1 73 73 THR HG23 H 1 1.138 0.020 . 1 . . . . . 73 THR HG2 . 50509 1 663 . 1 . 1 73 73 THR C C 13 172.609 0.3 . 1 . . . . . 73 THR C . 50509 1 664 . 1 . 1 73 73 THR CA C 13 60.050 0.3 . 1 . . . . . 73 THR CA . 50509 1 665 . 1 . 1 73 73 THR CB C 13 72.633 0.3 . 1 . . . . . 73 THR CB . 50509 1 666 . 1 . 1 73 73 THR CG2 C 13 21.717 0.3 . 1 . . . . . 73 THR CG2 . 50509 1 667 . 1 . 1 73 73 THR N N 15 112.919 0.3 . 1 . . . . . 73 THR N . 50509 1 668 . 1 . 1 74 74 LEU H H 1 8.849 0.020 . 1 . . . . . 74 LEU H . 50509 1 669 . 1 . 1 74 74 LEU HA H 1 4.623 0.020 . 1 . . . . . 74 LEU HA . 50509 1 670 . 1 . 1 74 74 LEU HB2 H 1 2.069 0.020 . 1 . . . . . 74 LEU HB2 . 50509 1 671 . 1 . 1 74 74 LEU HB3 H 1 2.069 0.020 . 1 . . . . . 74 LEU HB3 . 50509 1 672 . 1 . 1 74 74 LEU HG H 1 1.180 0.020 . 1 . . . . . 74 LEU HG . 50509 1 673 . 1 . 1 74 74 LEU HD11 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD1 . 50509 1 674 . 1 . 1 74 74 LEU HD12 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD1 . 50509 1 675 . 1 . 1 74 74 LEU HD13 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD1 . 50509 1 676 . 1 . 1 74 74 LEU HD21 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD2 . 50509 1 677 . 1 . 1 74 74 LEU HD22 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD2 . 50509 1 678 . 1 . 1 74 74 LEU HD23 H 1 0.301 0.020 . 1 . . . . . 74 LEU HD2 . 50509 1 679 . 1 . 1 74 74 LEU C C 13 174.788 0.3 . 1 . . . . . 74 LEU C . 50509 1 680 . 1 . 1 74 74 LEU CA C 13 53.262 0.3 . 1 . . . . . 74 LEU CA . 50509 1 681 . 1 . 1 74 74 LEU CB C 13 46.606 0.3 . 1 . . . . . 74 LEU CB . 50509 1 682 . 1 . 1 74 74 LEU CG C 13 25.991 0.3 . 1 . . . . . 74 LEU CG . 50509 1 683 . 1 . 1 74 74 LEU CD1 C 13 24.032 0.3 . 1 . . . . . 74 LEU CD1 . 50509 1 684 . 1 . 1 74 74 LEU CD2 C 13 24.317 0.3 . 1 . . . . . 74 LEU CD2 . 50509 1 685 . 1 . 1 74 74 LEU N N 15 121.603 0.3 . 1 . . . . . 74 LEU N . 50509 1 686 . 1 . 1 75 75 MET H H 1 8.244 0.020 . 1 . . . . . 75 MET H . 50509 1 687 . 1 . 1 75 75 MET HA H 1 5.327 0.020 . 1 . . . . . 75 MET HA . 50509 1 688 . 1 . 1 75 75 MET HB2 H 1 2.470 0.020 . 1 . . . . . 75 MET HB2 . 50509 1 689 . 1 . 1 75 75 MET HB3 H 1 2.470 0.020 . 1 . . . . . 75 MET HB3 . 50509 1 690 . 1 . 1 75 75 MET HG2 H 1 2.557 0.020 . 1 . . . . . 75 MET HG2 . 50509 1 691 . 1 . 1 75 75 MET HG3 H 1 2.557 0.020 . 1 . . . . . 75 MET HG3 . 50509 1 692 . 1 . 1 75 75 MET C C 13 176.028 0.3 . 1 . . . . . 75 MET C . 50509 1 693 . 1 . 1 75 75 MET CA C 13 53.164 0.3 . 1 . . . . . 75 MET CA . 50509 1 694 . 1 . 1 75 75 MET CB C 13 31.925 0.3 . 1 . . . . . 75 MET CB . 50509 1 695 . 1 . 1 75 75 MET CG C 13 31.318 0.3 . 1 . . . . . 75 MET CG . 50509 1 696 . 1 . 1 75 75 MET N N 15 120.428 0.3 . 1 . . . . . 75 MET N . 50509 1 697 . 1 . 1 76 76 ILE H H 1 8.710 0.020 . 1 . . . . . 76 ILE H . 50509 1 698 . 1 . 1 76 76 ILE HA H 1 4.117 0.020 . 1 . . . . . 76 ILE HA . 50509 1 699 . 1 . 1 76 76 ILE HB H 1 1.499 0.020 . 1 . . . . . 76 ILE HB . 50509 1 700 . 1 . 1 76 76 ILE HG12 H 1 1.349 0.020 . 2 . . . . . 76 ILE HG12 . 50509 1 701 . 1 . 1 76 76 ILE HG13 H 1 1.204 0.020 . 2 . . . . . 76 ILE HG13 . 50509 1 702 . 1 . 1 76 76 ILE HG21 H 1 0.925 0.020 . 1 . . . . . 76 ILE HG2 . 50509 1 703 . 1 . 1 76 76 ILE HG22 H 1 0.925 0.020 . 1 . . . . . 76 ILE HG2 . 50509 1 704 . 1 . 1 76 76 ILE HG23 H 1 0.925 0.020 . 1 . . . . . 76 ILE HG2 . 50509 1 705 . 1 . 1 76 76 ILE C C 13 175.085 0.3 . 1 . . . . . 76 ILE C . 50509 1 706 . 1 . 1 76 76 ILE CA C 13 60.760 0.3 . 1 . . . . . 76 ILE CA . 50509 1 707 . 1 . 1 76 76 ILE CB C 13 39.588 0.3 . 1 . . . . . 76 ILE CB . 50509 1 708 . 1 . 1 76 76 ILE CG1 C 13 26.775 0.3 . 1 . . . . . 76 ILE CG1 . 50509 1 709 . 1 . 1 76 76 ILE CG2 C 13 16.869 0.3 . 1 . . . . . 76 ILE CG2 . 50509 1 710 . 1 . 1 76 76 ILE CD1 C 13 14.037 0.3 . 1 . . . . . 76 ILE CD1 . 50509 1 711 . 1 . 1 76 76 ILE N N 15 123.627 0.3 . 1 . . . . . 76 ILE N . 50509 1 712 . 1 . 1 77 77 GLN H H 1 9.215 0.020 . 1 . . . . . 77 GLN H . 50509 1 713 . 1 . 1 77 77 GLN C C 13 174.726 0.3 . 1 . . . . . 77 GLN C . 50509 1 714 . 1 . 1 77 77 GLN CA C 13 56.853 0.3 . 1 . . . . . 77 GLN CA . 50509 1 715 . 1 . 1 77 77 GLN CB C 13 25.943 0.3 . 1 . . . . . 77 GLN CB . 50509 1 716 . 1 . 1 77 77 GLN N N 15 124.694 0.3 . 1 . . . . . 77 GLN N . 50509 1 717 . 1 . 1 78 78 ASP H H 1 8.589 0.020 . 1 . . . . . 78 ASP H . 50509 1 718 . 1 . 1 78 78 ASP HA H 1 4.325 0.020 . 1 . . . . . 78 ASP HA . 50509 1 719 . 1 . 1 78 78 ASP HB2 H 1 3.051 0.020 . 2 . . . . . 78 ASP HB2 . 50509 1 720 . 1 . 1 78 78 ASP HB3 H 1 2.845 0.020 . 2 . . . . . 78 ASP HB3 . 50509 1 721 . 1 . 1 78 78 ASP C C 13 174.544 0.3 . 1 . . . . . 78 ASP C . 50509 1 722 . 1 . 1 78 78 ASP CA C 13 55.119 0.3 . 1 . . . . . 78 ASP CA . 50509 1 723 . 1 . 1 78 78 ASP CB C 13 39.678 0.3 . 1 . . . . . 78 ASP CB . 50509 1 724 . 1 . 1 78 78 ASP N N 15 113.611 0.3 . 1 . . . . . 78 ASP N . 50509 1 725 . 1 . 1 79 79 LYS H H 1 8.088 0.020 . 1 . . . . . 79 LYS H . 50509 1 726 . 1 . 1 79 79 LYS HA H 1 4.563 0.020 . 1 . . . . . 79 LYS HA . 50509 1 727 . 1 . 1 79 79 LYS HB2 H 1 1.929 0.020 . 1 . . . . . 79 LYS HB2 . 50509 1 728 . 1 . 1 79 79 LYS HB3 H 1 1.929 0.020 . 1 . . . . . 79 LYS HB3 . 50509 1 729 . 1 . 1 79 79 LYS HG2 H 1 1.417 0.020 . 1 . . . . . 79 LYS HG2 . 50509 1 730 . 1 . 1 79 79 LYS HG3 H 1 1.417 0.020 . 1 . . . . . 79 LYS HG3 . 50509 1 731 . 1 . 1 79 79 LYS HD2 H 1 1.697 0.020 . 2 . . . . . 79 LYS HD2 . 50509 1 732 . 1 . 1 79 79 LYS HD3 H 1 1.712 0.020 . 2 . . . . . 79 LYS HD3 . 50509 1 733 . 1 . 1 79 79 LYS HE2 H 1 3.063 0.020 . 1 . . . . . 79 LYS HE2 . 50509 1 734 . 1 . 1 79 79 LYS HE3 H 1 3.063 0.020 . 1 . . . . . 79 LYS HE3 . 50509 1 735 . 1 . 1 79 79 LYS C C 13 174.385 0.3 . 1 . . . . . 79 LYS C . 50509 1 736 . 1 . 1 79 79 LYS CA C 13 54.031 0.3 . 1 . . . . . 79 LYS CA . 50509 1 737 . 1 . 1 79 79 LYS CB C 13 33.934 0.3 . 1 . . . . . 79 LYS CB . 50509 1 738 . 1 . 1 79 79 LYS CG C 13 24.447 0.3 . 1 . . . . . 79 LYS CG . 50509 1 739 . 1 . 1 79 79 LYS CD C 13 28.216 0.3 . 1 . . . . . 79 LYS CD . 50509 1 740 . 1 . 1 79 79 LYS CE C 13 42.304 0.3 . 1 . . . . . 79 LYS CE . 50509 1 741 . 1 . 1 79 79 LYS N N 15 121.122 0.3 . 1 . . . . . 79 LYS N . 50509 1 742 . 1 . 1 80 80 GLU H H 1 8.460 0.020 . 1 . . . . . 80 GLU H . 50509 1 743 . 1 . 1 80 80 GLU HA H 1 4.605 0.020 . 1 . . . . . 80 GLU HA . 50509 1 744 . 1 . 1 80 80 GLU HB2 H 1 2.004 0.020 . 1 . . . . . 80 GLU HB2 . 50509 1 745 . 1 . 1 80 80 GLU HB3 H 1 2.004 0.020 . 1 . . . . . 80 GLU HB3 . 50509 1 746 . 1 . 1 80 80 GLU HG2 H 1 2.151 0.020 . 1 . . . . . 80 GLU HG2 . 50509 1 747 . 1 . 1 80 80 GLU HG3 H 1 2.151 0.020 . 1 . . . . . 80 GLU HG3 . 50509 1 748 . 1 . 1 80 80 GLU C C 13 175.425 0.3 . 1 . . . . . 80 GLU C . 50509 1 749 . 1 . 1 80 80 GLU CA C 13 57.011 0.3 . 1 . . . . . 80 GLU CA . 50509 1 750 . 1 . 1 80 80 GLU CB C 13 30.315 0.3 . 1 . . . . . 80 GLU CB . 50509 1 751 . 1 . 1 80 80 GLU CG C 13 37.212 0.3 . 1 . . . . . 80 GLU CG . 50509 1 752 . 1 . 1 80 80 GLU N N 15 123.604 0.3 . 1 . . . . . 80 GLU N . 50509 1 753 . 1 . 1 81 81 VAL H H 1 9.360 0.020 . 1 . . . . . 81 VAL H . 50509 1 754 . 1 . 1 81 81 VAL HA H 1 4.552 0.020 . 1 . . . . . 81 VAL HA . 50509 1 755 . 1 . 1 81 81 VAL HB H 1 1.982 0.020 . 1 . . . . . 81 VAL HB . 50509 1 756 . 1 . 1 81 81 VAL HG11 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG1 . 50509 1 757 . 1 . 1 81 81 VAL HG12 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG1 . 50509 1 758 . 1 . 1 81 81 VAL HG13 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG1 . 50509 1 759 . 1 . 1 81 81 VAL HG21 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG2 . 50509 1 760 . 1 . 1 81 81 VAL HG22 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG2 . 50509 1 761 . 1 . 1 81 81 VAL HG23 H 1 0.804 0.020 . 1 . . . . . 81 VAL HG2 . 50509 1 762 . 1 . 1 81 81 VAL C C 13 175.301 0.3 . 1 . . . . . 81 VAL C . 50509 1 763 . 1 . 1 81 81 VAL CA C 13 60.632 0.3 . 1 . . . . . 81 VAL CA . 50509 1 764 . 1 . 1 81 81 VAL CB C 13 33.783 0.3 . 1 . . . . . 81 VAL CB . 50509 1 765 . 1 . 1 81 81 VAL CG1 C 13 21.570 0.3 . 1 . . . . . 81 VAL CG1 . 50509 1 766 . 1 . 1 81 81 VAL N N 15 130.218 0.3 . 1 . . . . . 81 VAL N . 50509 1 767 . 1 . 1 82 82 THR H H 1 8.438 0.020 . 1 . . . . . 82 THR H . 50509 1 768 . 1 . 1 82 82 THR HA H 1 4.730 0.020 . 1 . . . . . 82 THR HA . 50509 1 769 . 1 . 1 82 82 THR HB H 1 4.170 0.020 . 1 . . . . . 82 THR HB . 50509 1 770 . 1 . 1 82 82 THR HG21 H 1 1.242 0.020 . 1 . . . . . 82 THR HG2 . 50509 1 771 . 1 . 1 82 82 THR HG22 H 1 1.242 0.020 . 1 . . . . . 82 THR HG2 . 50509 1 772 . 1 . 1 82 82 THR HG23 H 1 1.242 0.020 . 1 . . . . . 82 THR HG2 . 50509 1 773 . 1 . 1 82 82 THR C C 13 173.315 0.3 . 1 . . . . . 82 THR C . 50509 1 774 . 1 . 1 82 82 THR CA C 13 62.042 0.3 . 1 . . . . . 82 THR CA . 50509 1 775 . 1 . 1 82 82 THR CB C 13 70.367 0.3 . 1 . . . . . 82 THR CB . 50509 1 776 . 1 . 1 82 82 THR CG2 C 13 21.717 0.3 . 1 . . . . . 82 THR CG2 . 50509 1 777 . 1 . 1 82 82 THR N N 15 119.468 0.3 . 1 . . . . . 82 THR N . 50509 1 778 . 1 . 1 83 83 LEU H H 1 8.176 0.020 . 1 . . . . . 83 LEU H . 50509 1 779 . 1 . 1 83 83 LEU HA H 1 4.699 0.020 . 1 . . . . . 83 LEU HA . 50509 1 780 . 1 . 1 83 83 LEU HB2 H 1 1.688 0.020 . 1 . . . . . 83 LEU HB2 . 50509 1 781 . 1 . 1 83 83 LEU HB3 H 1 1.688 0.020 . 1 . . . . . 83 LEU HB3 . 50509 1 782 . 1 . 1 83 83 LEU HG H 1 1.415 0.020 . 1 . . . . . 83 LEU HG . 50509 1 783 . 1 . 1 83 83 LEU HD11 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD1 . 50509 1 784 . 1 . 1 83 83 LEU HD12 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD1 . 50509 1 785 . 1 . 1 83 83 LEU HD13 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD1 . 50509 1 786 . 1 . 1 83 83 LEU HD21 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD2 . 50509 1 787 . 1 . 1 83 83 LEU HD22 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD2 . 50509 1 788 . 1 . 1 83 83 LEU HD23 H 1 0.839 0.020 . 1 . . . . . 83 LEU HD2 . 50509 1 789 . 1 . 1 83 83 LEU C C 13 175.968 0.3 . 1 . . . . . 83 LEU C . 50509 1 790 . 1 . 1 83 83 LEU CA C 13 53.308 0.3 . 1 . . . . . 83 LEU CA . 50509 1 791 . 1 . 1 83 83 LEU CB C 13 44.080 0.3 . 1 . . . . . 83 LEU CB . 50509 1 792 . 1 . 1 83 83 LEU CG C 13 25.185 0.3 . 1 . . . . . 83 LEU CG . 50509 1 793 . 1 . 1 83 83 LEU CD1 C 13 27.104 0.3 . 1 . . . . . 83 LEU CD1 . 50509 1 794 . 1 . 1 83 83 LEU N N 15 123.661 0.3 . 1 . . . . . 83 LEU N . 50509 1 795 . 1 . 1 84 84 GLU H H 1 8.864 0.020 . 1 . . . . . 84 GLU H . 50509 1 796 . 1 . 1 84 84 GLU HA H 1 4.609 0.020 . 1 . . . . . 84 GLU HA . 50509 1 797 . 1 . 1 84 84 GLU HB2 H 1 2.197 0.020 . 1 . . . . . 84 GLU HB2 . 50509 1 798 . 1 . 1 84 84 GLU HB3 H 1 2.197 0.020 . 1 . . . . . 84 GLU HB3 . 50509 1 799 . 1 . 1 84 84 GLU HG2 H 1 2.273 0.020 . 1 . . . . . 84 GLU HG2 . 50509 1 800 . 1 . 1 84 84 GLU HG3 H 1 2.273 0.020 . 1 . . . . . 84 GLU HG3 . 50509 1 801 . 1 . 1 84 84 GLU C C 13 174.897 0.3 . 1 . . . . . 84 GLU C . 50509 1 802 . 1 . 1 84 84 GLU CA C 13 54.736 0.3 . 1 . . . . . 84 GLU CA . 50509 1 803 . 1 . 1 84 84 GLU CB C 13 33.934 0.3 . 1 . . . . . 84 GLU CB . 50509 1 804 . 1 . 1 84 84 GLU CG C 13 36.252 0.3 . 1 . . . . . 84 GLU CG . 50509 1 805 . 1 . 1 84 84 GLU N N 15 126.623 0.3 . 1 . . . . . 84 GLU N . 50509 1 806 . 1 . 1 85 85 TYR H H 1 8.746 0.020 . 1 . . . . . 85 TYR H . 50509 1 807 . 1 . 1 85 85 TYR HA H 1 4.809 0.020 . 1 . . . . . 85 TYR HA . 50509 1 808 . 1 . 1 85 85 TYR HB2 H 1 3.042 0.020 . 2 . . . . . 85 TYR HB2 . 50509 1 809 . 1 . 1 85 85 TYR HB3 H 1 2.682 0.020 . 2 . . . . . 85 TYR HB3 . 50509 1 810 . 1 . 1 85 85 TYR C C 13 176.837 0.3 . 1 . . . . . 85 TYR C . 50509 1 811 . 1 . 1 85 85 TYR CA C 13 58.709 0.3 . 1 . . . . . 85 TYR CA . 50509 1 812 . 1 . 1 85 85 TYR CB C 13 39.362 0.3 . 1 . . . . . 85 TYR CB . 50509 1 813 . 1 . 1 85 85 TYR N N 15 122.385 0.3 . 1 . . . . . 85 TYR N . 50509 1 814 . 1 . 1 86 86 VAL H H 1 8.804 0.020 . 1 . . . . . 86 VAL H . 50509 1 815 . 1 . 1 86 86 VAL HA H 1 4.257 0.020 . 1 . . . . . 86 VAL HA . 50509 1 816 . 1 . 1 86 86 VAL HB H 1 1.951 0.020 . 1 . . . . . 86 VAL HB . 50509 1 817 . 1 . 1 86 86 VAL HG11 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG1 . 50509 1 818 . 1 . 1 86 86 VAL HG12 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG1 . 50509 1 819 . 1 . 1 86 86 VAL HG13 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG1 . 50509 1 820 . 1 . 1 86 86 VAL HG21 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG2 . 50509 1 821 . 1 . 1 86 86 VAL HG22 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG2 . 50509 1 822 . 1 . 1 86 86 VAL HG23 H 1 0.875 0.020 . 1 . . . . . 86 VAL HG2 . 50509 1 823 . 1 . 1 86 86 VAL C C 13 175.205 0.3 . 1 . . . . . 86 VAL C . 50509 1 824 . 1 . 1 86 86 VAL CA C 13 62.298 0.3 . 1 . . . . . 86 VAL CA . 50509 1 825 . 1 . 1 86 86 VAL CB C 13 32.652 0.3 . 1 . . . . . 86 VAL CB . 50509 1 826 . 1 . 1 86 86 VAL CG1 C 13 25.038 0.3 . 1 . . . . . 86 VAL CG1 . 50509 1 827 . 1 . 1 86 86 VAL CG2 C 13 21.570 0.3 . 1 . . . . . 86 VAL CG2 . 50509 1 828 . 1 . 1 86 86 VAL N N 15 122.946 0.3 . 1 . . . . . 86 VAL N . 50509 1 829 . 1 . 1 87 87 SER H H 1 8.198 0.020 . 1 . . . . . 87 SER H . 50509 1 830 . 1 . 1 87 87 SER C C 13 178.265 0.3 . 1 . . . . . 87 SER C . 50509 1 831 . 1 . 1 87 87 SER CA C 13 59.895 0.3 . 1 . . . . . 87 SER CA . 50509 1 832 . 1 . 1 87 87 SER CB C 13 64.767 0.3 . 1 . . . . . 87 SER CB . 50509 1 stop_ save_