data_50484 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50484 _Entry.Title ; S-nitrosated mutant of human thioreodoxin 1 (C32S/C35S/C69S/C73S) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-28 _Entry.Accession_date 2020-09-28 _Entry.Last_release_date 2020-09-28 _Entry.Original_release_date 2020-09-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vitor Almeida . S. . . 50484 2 Fabio Almeida . C.L. . . 50484 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universidade Federal do Rio de Janeiro' . 50484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 50484 '15N chemical shifts' 107 50484 '1H chemical shifts' 727 50484 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-09 2020-09-28 update BMRB 'update entry citation' 50484 1 . . 2021-04-13 2020-09-28 original author 'original release' 50484 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50485 'Mutant of human thioreodoxin 1 (C32S/C35S/C69S/C73S)' 50484 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50484 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33751377 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone and side-chain assignments of reduced and S-nitrosated C62only mutant of human thioredoxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 261 _Citation.Page_last 265 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vitor Almeida V. S. . . 50484 1 2 Anwar Iqbal A. . . . 50484 1 3 Fabio Almeida . . . . 50484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50484 _Assembly.ID 1 _Assembly.Name 'S-nitrosated mutant of human thioredoxin (C32S/C35S/C69S/C73S)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 C62onlySNO 1 $entity_1 . . yes native no no . . . 50484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50484 _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 ; MVKQIESKTAFQEALDAAGD KLVVVDFSATWSGPSKMIKP FFHSLSEKYSNVIFLEVDVD DCQDVASESEVKSMPTFQFF KKGQKVGEFSGANKEKLEAT INELV ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50484 1 2 . VAL . 50484 1 3 . LYS . 50484 1 4 . GLN . 50484 1 5 . ILE . 50484 1 6 . GLU . 50484 1 7 . SER . 50484 1 8 . LYS . 50484 1 9 . THR . 50484 1 10 . ALA . 50484 1 11 . PHE . 50484 1 12 . GLN . 50484 1 13 . GLU . 50484 1 14 . ALA . 50484 1 15 . LEU . 50484 1 16 . ASP . 50484 1 17 . ALA . 50484 1 18 . ALA . 50484 1 19 . GLY . 50484 1 20 . ASP . 50484 1 21 . LYS . 50484 1 22 . LEU . 50484 1 23 . VAL . 50484 1 24 . VAL . 50484 1 25 . VAL . 50484 1 26 . ASP . 50484 1 27 . PHE . 50484 1 28 . SER . 50484 1 29 . ALA . 50484 1 30 . THR . 50484 1 31 . TRP . 50484 1 32 . SER . 50484 1 33 . GLY . 50484 1 34 . PRO . 50484 1 35 . SER . 50484 1 36 . LYS . 50484 1 37 . MET . 50484 1 38 . ILE . 50484 1 39 . LYS . 50484 1 40 . PRO . 50484 1 41 . PHE . 50484 1 42 . PHE . 50484 1 43 . HIS . 50484 1 44 . SER . 50484 1 45 . LEU . 50484 1 46 . SER . 50484 1 47 . GLU . 50484 1 48 . LYS . 50484 1 49 . TYR . 50484 1 50 . SER . 50484 1 51 . ASN . 50484 1 52 . VAL . 50484 1 53 . ILE . 50484 1 54 . PHE . 50484 1 55 . LEU . 50484 1 56 . GLU . 50484 1 57 . VAL . 50484 1 58 . ASP . 50484 1 59 . VAL . 50484 1 60 . ASP . 50484 1 61 . ASP . 50484 1 62 . CYS . 50484 1 63 . GLN . 50484 1 64 . ASP . 50484 1 65 . VAL . 50484 1 66 . ALA . 50484 1 67 . SER . 50484 1 68 . GLU . 50484 1 69 . SER . 50484 1 70 . GLU . 50484 1 71 . VAL . 50484 1 72 . LYS . 50484 1 73 . SER . 50484 1 74 . MET . 50484 1 75 . PRO . 50484 1 76 . THR . 50484 1 77 . PHE . 50484 1 78 . GLN . 50484 1 79 . PHE . 50484 1 80 . PHE . 50484 1 81 . LYS . 50484 1 82 . LYS . 50484 1 83 . GLY . 50484 1 84 . GLN . 50484 1 85 . LYS . 50484 1 86 . VAL . 50484 1 87 . GLY . 50484 1 88 . GLU . 50484 1 89 . PHE . 50484 1 90 . SER . 50484 1 91 . GLY . 50484 1 92 . ALA . 50484 1 93 . ASN . 50484 1 94 . LYS . 50484 1 95 . GLU . 50484 1 96 . LYS . 50484 1 97 . LEU . 50484 1 98 . GLU . 50484 1 99 . ALA . 50484 1 100 . THR . 50484 1 101 . ILE . 50484 1 102 . ASN . 50484 1 103 . GLU . 50484 1 104 . LEU . 50484 1 105 . VAL . 50484 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 . MET 1 1 50484 1 . VAL 2 2 50484 1 . LYS 3 3 50484 1 . GLN 4 4 50484 1 . ILE 5 5 50484 1 . GLU 6 6 50484 1 . SER 7 7 50484 1 . LYS 8 8 50484 1 . THR 9 9 50484 1 . ALA 10 10 50484 1 . PHE 11 11 50484 1 . GLN 12 12 50484 1 . GLU 13 13 50484 1 . ALA 14 14 50484 1 . LEU 15 15 50484 1 . ASP 16 16 50484 1 . ALA 17 17 50484 1 . ALA 18 18 50484 1 . GLY 19 19 50484 1 . ASP 20 20 50484 1 . LYS 21 21 50484 1 . LEU 22 22 50484 1 . VAL 23 23 50484 1 . VAL 24 24 50484 1 . VAL 25 25 50484 1 . ASP 26 26 50484 1 . PHE 27 27 50484 1 . SER 28 28 50484 1 . ALA 29 29 50484 1 . THR 30 30 50484 1 . TRP 31 31 50484 1 . SER 32 32 50484 1 . GLY 33 33 50484 1 . PRO 34 34 50484 1 . SER 35 35 50484 1 . LYS 36 36 50484 1 . MET 37 37 50484 1 . ILE 38 38 50484 1 . LYS 39 39 50484 1 . PRO 40 40 50484 1 . PHE 41 41 50484 1 . PHE 42 42 50484 1 . HIS 43 43 50484 1 . SER 44 44 50484 1 . LEU 45 45 50484 1 . SER 46 46 50484 1 . GLU 47 47 50484 1 . LYS 48 48 50484 1 . TYR 49 49 50484 1 . SER 50 50 50484 1 . ASN 51 51 50484 1 . VAL 52 52 50484 1 . ILE 53 53 50484 1 . PHE 54 54 50484 1 . LEU 55 55 50484 1 . GLU 56 56 50484 1 . VAL 57 57 50484 1 . ASP 58 58 50484 1 . VAL 59 59 50484 1 . ASP 60 60 50484 1 . ASP 61 61 50484 1 . CYS 62 62 50484 1 . GLN 63 63 50484 1 . ASP 64 64 50484 1 . VAL 65 65 50484 1 . ALA 66 66 50484 1 . SER 67 67 50484 1 . GLU 68 68 50484 1 . SER 69 69 50484 1 . GLU 70 70 50484 1 . VAL 71 71 50484 1 . LYS 72 72 50484 1 . SER 73 73 50484 1 . MET 74 74 50484 1 . PRO 75 75 50484 1 . THR 76 76 50484 1 . PHE 77 77 50484 1 . GLN 78 78 50484 1 . PHE 79 79 50484 1 . PHE 80 80 50484 1 . LYS 81 81 50484 1 . LYS 82 82 50484 1 . GLY 83 83 50484 1 . GLN 84 84 50484 1 . LYS 85 85 50484 1 . VAL 86 86 50484 1 . GLY 87 87 50484 1 . GLU 88 88 50484 1 . PHE 89 89 50484 1 . SER 90 90 50484 1 . GLY 91 91 50484 1 . ALA 92 92 50484 1 . ASN 93 93 50484 1 . LYS 94 94 50484 1 . GLU 95 95 50484 1 . LYS 96 96 50484 1 . LEU 97 97 50484 1 . GLU 98 98 50484 1 . ALA 99 99 50484 1 . THR 100 100 50484 1 . ILE 101 101 50484 1 . ASN 102 102 50484 1 . GLU 103 103 50484 1 . LEU 104 104 50484 1 . VAL 105 105 50484 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 50484 _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 . . . . . . . . . . . . . 50484 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 50484 _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 . . . plasmid . . pET3a . . . 50484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50484 _Sample.ID 1 _Sample.Name 13C15NC62onlySNO_Sample.Name _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'S-nitrosated mutant of human thioredoxin (C32S/C35S/C69S/C73S)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 50484 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50484 1 3 'Phosphate Buffer' 'natural abundance' . . . . . . 30 . . mM . . . . 50484 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 50484 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_condition_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' 0.05 . M 50484 1 pH 7 . pH 50484 1 pressure 1 . atm 50484 1 temperature 298 . K 50484 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50484 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50484 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50484 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name NMR_spectrometer_2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50484 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50484 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50484 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50484 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50484 1 13 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50484 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 50484 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shit_reference.C62onlySNO _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 water protons . . . . ppm 4.773 internal indirect . . . . . . 50484 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50484 1 N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 50484 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 50484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.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 . _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' . . . 50484 1 2 '2D 1H-13C HSQC' . . . 50484 1 3 '3D HNCO' . . . 50484 1 4 '3D CBCA(CO)NH' . . . 50484 1 5 '3D HNCA' . . . 50484 1 6 '3D HBHA(CO)NH' . . . 50484 1 7 '3D HNCACB' . . . 50484 1 8 '2D 1H-13C HSQC aromatic' . . . 50484 1 9 '3D HCCH-TOCSY' . . . 50484 1 10 '3D 1H-13C NOESY aliphatic' . . . 50484 1 11 '3D 1H-15N NOESY' . . . 50484 1 12 '3D 1H-13C NOESY aromatic' . . . 50484 1 13 '3D (H)CCH-TOCSY' . . . 50484 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50484 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.946 0.030 . 1 . . . . . 1 MET HA . 50484 1 2 . 1 . 1 1 1 MET HB2 H 1 2.143 0.014 . 2 . . . . . 1 MET HB2 . 50484 1 3 . 1 . 1 1 1 MET HB3 H 1 2.163 0.011 . 2 . . . . . 1 MET HB3 . 50484 1 4 . 1 . 1 1 1 MET HG2 H 1 2.611 0.001 . 2 . . . . . 1 MET HG2 . 50484 1 5 . 1 . 1 1 1 MET HG3 H 1 2.592 0.001 . 2 . . . . . 1 MET HG3 . 50484 1 6 . 1 . 1 1 1 MET HE1 H 1 2.134 0.000 . 1 . . . . . 1 MET HE1 . 50484 1 7 . 1 . 1 1 1 MET HE2 H 1 2.134 0.000 . 1 . . . . . 1 MET HE2 . 50484 1 8 . 1 . 1 1 1 MET HE3 H 1 2.134 0.000 . 1 . . . . . 1 MET HE3 . 50484 1 9 . 1 . 1 1 1 MET CA C 13 55.322 0.179 . 1 . . . . . 1 MET CA . 50484 1 10 . 1 . 1 1 1 MET CB C 13 33.070 0.119 . 1 . . . . . 1 MET CB . 50484 1 11 . 1 . 1 1 1 MET CG C 13 31.338 0.110 . 1 . . . . . 1 MET CG . 50484 1 12 . 1 . 1 1 1 MET CE C 13 17.294 0.000 . 1 . . . . . 1 MET CE . 50484 1 13 . 1 . 1 2 2 VAL HA H 1 3.464 0.040 . 1 . . . . . 2 VAL HA . 50484 1 14 . 1 . 1 2 2 VAL HB H 1 1.805 0.011 . 1 . . . . . 2 VAL HB . 50484 1 15 . 1 . 1 2 2 VAL HG11 H 1 0.625 0.002 . 2 . . . . . 2 VAL HG11 . 50484 1 16 . 1 . 1 2 2 VAL HG12 H 1 0.625 0.002 . 2 . . . . . 2 VAL HG12 . 50484 1 17 . 1 . 1 2 2 VAL HG13 H 1 0.625 0.002 . 2 . . . . . 2 VAL HG13 . 50484 1 18 . 1 . 1 2 2 VAL HG21 H 1 0.824 0.002 . 2 . . . . . 2 VAL HG21 . 50484 1 19 . 1 . 1 2 2 VAL HG22 H 1 0.824 0.002 . 2 . . . . . 2 VAL HG22 . 50484 1 20 . 1 . 1 2 2 VAL HG23 H 1 0.824 0.002 . 2 . . . . . 2 VAL HG23 . 50484 1 21 . 1 . 1 2 2 VAL C C 13 174.020 0.000 . 1 . . . . . 2 VAL C . 50484 1 22 . 1 . 1 2 2 VAL CA C 13 62.356 0.268 . 1 . . . . . 2 VAL CA . 50484 1 23 . 1 . 1 2 2 VAL CB C 13 34.536 0.158 . 1 . . . . . 2 VAL CB . 50484 1 24 . 1 . 1 2 2 VAL CG1 C 13 21.312 0.000 . 2 . . . . . 2 VAL CG1 . 50484 1 25 . 1 . 1 2 2 VAL CG2 C 13 21.882 0.000 . 2 . . . . . 2 VAL CG2 . 50484 1 26 . 1 . 1 3 3 LYS H H 1 8.330 0.002 . 1 . . . . . 3 LYS H . 50484 1 27 . 1 . 1 3 3 LYS HA H 1 4.571 0.029 . 1 . . . . . 3 LYS HA . 50484 1 28 . 1 . 1 3 3 LYS HB2 H 1 1.796 0.003 . 2 . . . . . 3 LYS HB2 . 50484 1 29 . 1 . 1 3 3 LYS HB3 H 1 1.845 0.010 . 2 . . . . . 3 LYS HB3 . 50484 1 30 . 1 . 1 3 3 LYS HG2 H 1 1.298 0.005 . 2 . . . . . 3 LYS HG2 . 50484 1 31 . 1 . 1 3 3 LYS HG3 H 1 1.393 0.002 . 2 . . . . . 3 LYS HG3 . 50484 1 32 . 1 . 1 3 3 LYS HD2 H 1 1.634 0.019 . 2 . . . . . 3 LYS HD2 . 50484 1 33 . 1 . 1 3 3 LYS HD3 H 1 1.612 0.027 . 2 . . . . . 3 LYS HD3 . 50484 1 34 . 1 . 1 3 3 LYS HE2 H 1 2.999 0.004 . 2 . . . . . 3 LYS HE2 . 50484 1 35 . 1 . 1 3 3 LYS HE3 H 1 2.941 0.002 . 2 . . . . . 3 LYS HE3 . 50484 1 36 . 1 . 1 3 3 LYS C C 13 176.462 0.000 . 1 . . . . . 3 LYS C . 50484 1 37 . 1 . 1 3 3 LYS CA C 13 55.608 0.218 . 1 . . . . . 3 LYS CA . 50484 1 38 . 1 . 1 3 3 LYS CB C 13 34.256 0.138 . 1 . . . . . 3 LYS CB . 50484 1 39 . 1 . 1 3 3 LYS CG C 13 25.142 0.097 . 1 . . . . . 3 LYS CG . 50484 1 40 . 1 . 1 3 3 LYS CD C 13 29.953 0.083 . 1 . . . . . 3 LYS CD . 50484 1 41 . 1 . 1 3 3 LYS CE C 13 41.485 0.112 . 1 . . . . . 3 LYS CE . 50484 1 42 . 1 . 1 3 3 LYS N N 15 128.463 0.036 . 1 . . . . . 3 LYS N . 50484 1 43 . 1 . 1 4 4 GLN H H 1 8.781 0.006 . 1 . . . . . 4 GLN H . 50484 1 44 . 1 . 1 4 4 GLN HA H 1 4.602 0.010 . 1 . . . . . 4 GLN HA . 50484 1 45 . 1 . 1 4 4 GLN HB2 H 1 2.097 0.007 . 2 . . . . . 4 GLN HB2 . 50484 1 46 . 1 . 1 4 4 GLN HB3 H 1 2.101 0.005 . 2 . . . . . 4 GLN HB3 . 50484 1 47 . 1 . 1 4 4 GLN HG2 H 1 2.304 0.002 . 2 . . . . . 4 GLN HG2 . 50484 1 48 . 1 . 1 4 4 GLN HG3 H 1 2.381 0.005 . 2 . . . . . 4 GLN HG3 . 50484 1 49 . 1 . 1 4 4 GLN HE21 H 1 7.571 0.004 . 1 . . . . . 4 GLN HE21 . 50484 1 50 . 1 . 1 4 4 GLN HE22 H 1 6.907 0.000 . 1 . . . . . 4 GLN HE22 . 50484 1 51 . 1 . 1 4 4 GLN C C 13 175.762 0.017 . 1 . . . . . 4 GLN C . 50484 1 52 . 1 . 1 4 4 GLN CA C 13 55.807 0.089 . 1 . . . . . 4 GLN CA . 50484 1 53 . 1 . 1 4 4 GLN CB C 13 29.109 0.076 . 1 . . . . . 4 GLN CB . 50484 1 54 . 1 . 1 4 4 GLN CG C 13 34.140 0.005 . 1 . . . . . 4 GLN CG . 50484 1 55 . 1 . 1 4 4 GLN N N 15 127.426 0.024 . 1 . . . . . 4 GLN N . 50484 1 56 . 1 . 1 4 4 GLN NE2 N 15 113.298 0.019 . 1 . . . . . 4 GLN NE2 . 50484 1 57 . 1 . 1 5 5 ILE H H 1 8.655 0.005 . 1 . . . . . 5 ILE H . 50484 1 58 . 1 . 1 5 5 ILE HA H 1 4.246 0.030 . 1 . . . . . 5 ILE HA . 50484 1 59 . 1 . 1 5 5 ILE HB H 1 2.048 0.005 . 1 . . . . . 5 ILE HB . 50484 1 60 . 1 . 1 5 5 ILE HG12 H 1 1.052 0.004 . 2 . . . . . 5 ILE HG12 . 50484 1 61 . 1 . 1 5 5 ILE HG13 H 1 1.661 0.002 . 2 . . . . . 5 ILE HG13 . 50484 1 62 . 1 . 1 5 5 ILE HG21 H 1 0.745 0.002 . 1 . . . . . 5 ILE HG21 . 50484 1 63 . 1 . 1 5 5 ILE HG22 H 1 0.745 0.002 . 1 . . . . . 5 ILE HG22 . 50484 1 64 . 1 . 1 5 5 ILE HG23 H 1 0.745 0.002 . 1 . . . . . 5 ILE HG23 . 50484 1 65 . 1 . 1 5 5 ILE HD11 H 1 0.666 0.006 . 1 . . . . . 5 ILE HD11 . 50484 1 66 . 1 . 1 5 5 ILE HD12 H 1 0.666 0.006 . 1 . . . . . 5 ILE HD12 . 50484 1 67 . 1 . 1 5 5 ILE HD13 H 1 0.666 0.006 . 1 . . . . . 5 ILE HD13 . 50484 1 68 . 1 . 1 5 5 ILE C C 13 176.276 0.000 . 1 . . . . . 5 ILE C . 50484 1 69 . 1 . 1 5 5 ILE CA C 13 58.016 0.224 . 1 . . . . . 5 ILE CA . 50484 1 70 . 1 . 1 5 5 ILE CB C 13 36.405 0.165 . 1 . . . . . 5 ILE CB . 50484 1 71 . 1 . 1 5 5 ILE CG1 C 13 26.831 0.145 . 1 . . . . . 5 ILE CG1 . 50484 1 72 . 1 . 1 5 5 ILE CG2 C 13 18.460 0.185 . 1 . . . . . 5 ILE CG2 . 50484 1 73 . 1 . 1 5 5 ILE CD1 C 13 8.885 0.021 . 1 . . . . . 5 ILE CD1 . 50484 1 74 . 1 . 1 5 5 ILE N N 15 128.625 0.124 . 1 . . . . . 5 ILE N . 50484 1 75 . 1 . 1 6 6 GLU H H 1 8.961 0.004 . 1 . . . . . 6 GLU H . 50484 1 76 . 1 . 1 6 6 GLU HA H 1 4.904 0.029 . 1 . . . . . 6 GLU HA . 50484 1 77 . 1 . 1 6 6 GLU HB2 H 1 2.304 0.020 . 2 . . . . . 6 GLU HB2 . 50484 1 78 . 1 . 1 6 6 GLU HB3 H 1 2.020 0.005 . 2 . . . . . 6 GLU HB3 . 50484 1 79 . 1 . 1 6 6 GLU HG2 H 1 2.291 0.032 . 2 . . . . . 6 GLU HG2 . 50484 1 80 . 1 . 1 6 6 GLU HG3 H 1 2.237 0.005 . 2 . . . . . 6 GLU HG3 . 50484 1 81 . 1 . 1 6 6 GLU C C 13 175.969 0.000 . 1 . . . . . 6 GLU C . 50484 1 82 . 1 . 1 6 6 GLU CA C 13 56.789 0.254 . 1 . . . . . 6 GLU CA . 50484 1 83 . 1 . 1 6 6 GLU CB C 13 31.716 0.128 . 1 . . . . . 6 GLU CB . 50484 1 84 . 1 . 1 6 6 GLU CG C 13 36.739 0.129 . 1 . . . . . 6 GLU CG . 50484 1 85 . 1 . 1 6 6 GLU N N 15 123.847 0.018 . 1 . . . . . 6 GLU N . 50484 1 86 . 1 . 1 7 7 SER H H 1 7.300 0.002 . 1 . . . . . 7 SER H . 50484 1 87 . 1 . 1 7 7 SER HA H 1 4.523 0.022 . 1 . . . . . 7 SER HA . 50484 1 88 . 1 . 1 7 7 SER HB2 H 1 4.221 0.001 . 2 . . . . . 7 SER HB2 . 50484 1 89 . 1 . 1 7 7 SER HB3 H 1 4.049 0.002 . 2 . . . . . 7 SER HB3 . 50484 1 90 . 1 . 1 7 7 SER C C 13 173.671 0.000 . 1 . . . . . 7 SER C . 50484 1 91 . 1 . 1 7 7 SER CA C 13 57.740 0.145 . 1 . . . . . 7 SER CA . 50484 1 92 . 1 . 1 7 7 SER CB C 13 67.240 0.737 . 1 . . . . . 7 SER CB . 50484 1 93 . 1 . 1 7 7 SER N N 15 112.592 0.016 . 1 . . . . . 7 SER N . 50484 1 94 . 1 . 1 8 8 LYS H H 1 9.468 0.003 . 1 . . . . . 8 LYS H . 50484 1 95 . 1 . 1 8 8 LYS HA H 1 3.972 0.027 . 1 . . . . . 8 LYS HA . 50484 1 96 . 1 . 1 8 8 LYS HB2 H 1 1.937 0.013 . 2 . . . . . 8 LYS HB2 . 50484 1 97 . 1 . 1 8 8 LYS HB3 H 1 1.977 0.013 . 2 . . . . . 8 LYS HB3 . 50484 1 98 . 1 . 1 8 8 LYS HG2 H 1 1.490 0.008 . 2 . . . . . 8 LYS HG2 . 50484 1 99 . 1 . 1 8 8 LYS HG3 H 1 1.458 0.002 . 2 . . . . . 8 LYS HG3 . 50484 1 100 . 1 . 1 8 8 LYS HD2 H 1 1.663 0.001 . 2 . . . . . 8 LYS HD2 . 50484 1 101 . 1 . 1 8 8 LYS HD3 H 1 1.737 0.001 . 2 . . . . . 8 LYS HD3 . 50484 1 102 . 1 . 1 8 8 LYS HE2 H 1 3.010 0.009 . 2 . . . . . 8 LYS HE2 . 50484 1 103 . 1 . 1 8 8 LYS HE3 H 1 2.972 0.001 . 2 . . . . . 8 LYS HE3 . 50484 1 104 . 1 . 1 8 8 LYS C C 13 178.468 0.000 . 1 . . . . . 8 LYS C . 50484 1 105 . 1 . 1 8 8 LYS CA C 13 60.253 0.187 . 1 . . . . . 8 LYS CA . 50484 1 106 . 1 . 1 8 8 LYS CB C 13 32.691 0.083 . 1 . . . . . 8 LYS CB . 50484 1 107 . 1 . 1 8 8 LYS CG C 13 25.290 0.084 . 1 . . . . . 8 LYS CG . 50484 1 108 . 1 . 1 8 8 LYS CD C 13 29.910 0.086 . 1 . . . . . 8 LYS CD . 50484 1 109 . 1 . 1 8 8 LYS CE C 13 42.302 0.002 . 1 . . . . . 8 LYS CE . 50484 1 110 . 1 . 1 8 8 LYS N N 15 122.873 0.017 . 1 . . . . . 8 LYS N . 50484 1 111 . 1 . 1 9 9 THR H H 1 8.188 0.004 . 1 . . . . . 9 THR H . 50484 1 112 . 1 . 1 9 9 THR HA H 1 4.004 0.037 . 1 . . . . . 9 THR HA . 50484 1 113 . 1 . 1 9 9 THR HB H 1 4.057 0.020 . 1 . . . . . 9 THR HB . 50484 1 114 . 1 . 1 9 9 THR HG21 H 1 1.233 0.003 . 1 . . . . . 9 THR HG21 . 50484 1 115 . 1 . 1 9 9 THR HG22 H 1 1.233 0.003 . 1 . . . . . 9 THR HG22 . 50484 1 116 . 1 . 1 9 9 THR HG23 H 1 1.233 0.003 . 1 . . . . . 9 THR HG23 . 50484 1 117 . 1 . 1 9 9 THR C C 13 176.200 0.000 . 1 . . . . . 9 THR C . 50484 1 118 . 1 . 1 9 9 THR CA C 13 66.712 0.232 . 1 . . . . . 9 THR CA . 50484 1 119 . 1 . 1 9 9 THR CB C 13 68.962 0.195 . 1 . . . . . 9 THR CB . 50484 1 120 . 1 . 1 9 9 THR CG2 C 13 21.916 0.544 . 1 . . . . . 9 THR CG2 . 50484 1 121 . 1 . 1 9 9 THR N N 15 115.482 0.014 . 1 . . . . . 9 THR N . 50484 1 122 . 1 . 1 10 10 ALA H H 1 7.985 0.002 . 1 . . . . . 10 ALA H . 50484 1 123 . 1 . 1 10 10 ALA HA H 1 4.195 0.029 . 1 . . . . . 10 ALA HA . 50484 1 124 . 1 . 1 10 10 ALA HB1 H 1 1.562 0.035 . 1 . . . . . 10 ALA HB1 . 50484 1 125 . 1 . 1 10 10 ALA HB2 H 1 1.562 0.035 . 1 . . . . . 10 ALA HB2 . 50484 1 126 . 1 . 1 10 10 ALA HB3 H 1 1.562 0.035 . 1 . . . . . 10 ALA HB3 . 50484 1 127 . 1 . 1 10 10 ALA C C 13 180.387 0.000 . 1 . . . . . 10 ALA C . 50484 1 128 . 1 . 1 10 10 ALA CA C 13 55.078 0.230 . 1 . . . . . 10 ALA CA . 50484 1 129 . 1 . 1 10 10 ALA CB C 13 19.326 0.893 . 1 . . . . . 10 ALA CB . 50484 1 130 . 1 . 1 10 10 ALA N N 15 124.506 0.020 . 1 . . . . . 10 ALA N . 50484 1 131 . 1 . 1 11 11 PHE H H 1 8.114 0.006 . 1 . . . . . 11 PHE H . 50484 1 132 . 1 . 1 11 11 PHE HA H 1 4.015 0.029 . 1 . . . . . 11 PHE HA . 50484 1 133 . 1 . 1 11 11 PHE HB2 H 1 3.436 0.003 . 2 . . . . . 11 PHE HB2 . 50484 1 134 . 1 . 1 11 11 PHE HB3 H 1 3.002 0.004 . 2 . . . . . 11 PHE HB3 . 50484 1 135 . 1 . 1 11 11 PHE HD1 H 1 7.312 0.003 . 1 . . . . . 11 PHE HD1 . 50484 1 136 . 1 . 1 11 11 PHE HD2 H 1 7.312 0.003 . 1 . . . . . 11 PHE HD2 . 50484 1 137 . 1 . 1 11 11 PHE HE1 H 1 6.877 0.000 . 1 . . . . . 11 PHE HE1 . 50484 1 138 . 1 . 1 11 11 PHE HE2 H 1 6.877 0.000 . 1 . . . . . 11 PHE HE2 . 50484 1 139 . 1 . 1 11 11 PHE C C 13 175.560 0.000 . 1 . . . . . 11 PHE C . 50484 1 140 . 1 . 1 11 11 PHE CA C 13 61.266 0.216 . 1 . . . . . 11 PHE CA . 50484 1 141 . 1 . 1 11 11 PHE CB C 13 39.249 0.116 . 1 . . . . . 11 PHE CB . 50484 1 142 . 1 . 1 11 11 PHE CD1 C 13 133.660 0.076 . 1 . . . . . 11 PHE CD1 . 50484 1 143 . 1 . 1 11 11 PHE CD2 C 13 133.660 0.076 . 1 . . . . . 11 PHE CD2 . 50484 1 144 . 1 . 1 11 11 PHE N N 15 121.667 0.022 . 1 . . . . . 11 PHE N . 50484 1 145 . 1 . 1 12 12 GLN H H 1 8.107 0.003 . 1 . . . . . 12 GLN H . 50484 1 146 . 1 . 1 12 12 GLN HA H 1 3.577 0.028 . 1 . . . . . 12 GLN HA . 50484 1 147 . 1 . 1 12 12 GLN HB2 H 1 2.219 0.024 . 2 . . . . . 12 GLN HB2 . 50484 1 148 . 1 . 1 12 12 GLN HB3 H 1 2.129 0.004 . 2 . . . . . 12 GLN HB3 . 50484 1 149 . 1 . 1 12 12 GLN HG2 H 1 2.385 0.001 . 2 . . . . . 12 GLN HG2 . 50484 1 150 . 1 . 1 12 12 GLN HG3 H 1 2.502 0.009 . 2 . . . . . 12 GLN HG3 . 50484 1 151 . 1 . 1 12 12 GLN HE21 H 1 7.722 0.002 . 1 . . . . . 12 GLN HE21 . 50484 1 152 . 1 . 1 12 12 GLN HE22 H 1 6.858 0.004 . 1 . . . . . 12 GLN HE22 . 50484 1 153 . 1 . 1 12 12 GLN C C 13 178.673 0.000 . 1 . . . . . 12 GLN C . 50484 1 154 . 1 . 1 12 12 GLN CA C 13 58.921 0.206 . 1 . . . . . 12 GLN CA . 50484 1 155 . 1 . 1 12 12 GLN CB C 13 28.520 0.140 . 1 . . . . . 12 GLN CB . 50484 1 156 . 1 . 1 12 12 GLN CG C 13 34.231 0.130 . 1 . . . . . 12 GLN CG . 50484 1 157 . 1 . 1 12 12 GLN N N 15 117.855 0.025 . 1 . . . . . 12 GLN N . 50484 1 158 . 1 . 1 12 12 GLN NE2 N 15 114.564 0.103 . 1 . . . . . 12 GLN NE2 . 50484 1 159 . 1 . 1 13 13 GLU H H 1 8.375 0.001 . 1 . . . . . 13 GLU H . 50484 1 160 . 1 . 1 13 13 GLU HA H 1 3.972 0.026 . 1 . . . . . 13 GLU HA . 50484 1 161 . 1 . 1 13 13 GLU HB2 H 1 2.059 0.005 . 2 . . . . . 13 GLU HB2 . 50484 1 162 . 1 . 1 13 13 GLU HB3 H 1 1.971 0.011 . 2 . . . . . 13 GLU HB3 . 50484 1 163 . 1 . 1 13 13 GLU HG2 H 1 2.470 0.004 . 2 . . . . . 13 GLU HG2 . 50484 1 164 . 1 . 1 13 13 GLU HG3 H 1 2.194 0.005 . 2 . . . . . 13 GLU HG3 . 50484 1 165 . 1 . 1 13 13 GLU C C 13 179.147 0.000 . 1 . . . . . 13 GLU C . 50484 1 166 . 1 . 1 13 13 GLU CA C 13 59.756 0.190 . 1 . . . . . 13 GLU CA . 50484 1 167 . 1 . 1 13 13 GLU CB C 13 30.011 0.145 . 1 . . . . . 13 GLU CB . 50484 1 168 . 1 . 1 13 13 GLU CG C 13 36.978 0.134 . 1 . . . . . 13 GLU CG . 50484 1 169 . 1 . 1 13 13 GLU N N 15 118.376 0.023 . 1 . . . . . 13 GLU N . 50484 1 170 . 1 . 1 14 14 ALA H H 1 7.872 0.003 . 1 . . . . . 14 ALA H . 50484 1 171 . 1 . 1 14 14 ALA HA H 1 4.057 0.027 . 1 . . . . . 14 ALA HA . 50484 1 172 . 1 . 1 14 14 ALA HB1 H 1 1.341 0.004 . 1 . . . . . 14 ALA HB1 . 50484 1 173 . 1 . 1 14 14 ALA HB2 H 1 1.341 0.004 . 1 . . . . . 14 ALA HB2 . 50484 1 174 . 1 . 1 14 14 ALA HB3 H 1 1.341 0.004 . 1 . . . . . 14 ALA HB3 . 50484 1 175 . 1 . 1 14 14 ALA C C 13 180.511 0.000 . 1 . . . . . 14 ALA C . 50484 1 176 . 1 . 1 14 14 ALA CA C 13 55.039 0.207 . 1 . . . . . 14 ALA CA . 50484 1 177 . 1 . 1 14 14 ALA CB C 13 19.089 0.972 . 1 . . . . . 14 ALA CB . 50484 1 178 . 1 . 1 14 14 ALA N N 15 122.362 0.021 . 1 . . . . . 14 ALA N . 50484 1 179 . 1 . 1 15 15 LEU H H 1 7.570 0.001 . 1 . . . . . 15 LEU H . 50484 1 180 . 1 . 1 15 15 LEU HA H 1 3.705 0.027 . 1 . . . . . 15 LEU HA . 50484 1 181 . 1 . 1 15 15 LEU HB2 H 1 1.004 0.006 . 2 . . . . . 15 LEU HB2 . 50484 1 182 . 1 . 1 15 15 LEU HB3 H 1 1.572 0.004 . 2 . . . . . 15 LEU HB3 . 50484 1 183 . 1 . 1 15 15 LEU HG H 1 0.930 0.004 . 1 . . . . . 15 LEU HG . 50484 1 184 . 1 . 1 15 15 LEU HD11 H 1 -0.124 0.002 . 2 . . . . . 15 LEU HD11 . 50484 1 185 . 1 . 1 15 15 LEU HD12 H 1 -0.124 0.002 . 2 . . . . . 15 LEU HD12 . 50484 1 186 . 1 . 1 15 15 LEU HD13 H 1 -0.124 0.002 . 2 . . . . . 15 LEU HD13 . 50484 1 187 . 1 . 1 15 15 LEU HD21 H 1 -0.214 0.001 . 2 . . . . . 15 LEU HD21 . 50484 1 188 . 1 . 1 15 15 LEU HD22 H 1 -0.214 0.001 . 2 . . . . . 15 LEU HD22 . 50484 1 189 . 1 . 1 15 15 LEU HD23 H 1 -0.214 0.001 . 2 . . . . . 15 LEU HD23 . 50484 1 190 . 1 . 1 15 15 LEU C C 13 180.516 0.000 . 1 . . . . . 15 LEU C . 50484 1 191 . 1 . 1 15 15 LEU CA C 13 58.202 0.212 . 1 . . . . . 15 LEU CA . 50484 1 192 . 1 . 1 15 15 LEU CB C 13 41.598 0.116 . 1 . . . . . 15 LEU CB . 50484 1 193 . 1 . 1 15 15 LEU CG C 13 26.641 0.170 . 1 . . . . . 15 LEU CG . 50484 1 194 . 1 . 1 15 15 LEU CD1 C 13 22.539 0.000 . 2 . . . . . 15 LEU CD1 . 50484 1 195 . 1 . 1 15 15 LEU CD2 C 13 24.927 0.000 . 2 . . . . . 15 LEU CD2 . 50484 1 196 . 1 . 1 15 15 LEU N N 15 117.734 0.009 . 1 . . . . . 15 LEU N . 50484 1 197 . 1 . 1 16 16 ASP H H 1 8.095 0.004 . 1 . . . . . 16 ASP H . 50484 1 198 . 1 . 1 16 16 ASP HA H 1 4.331 0.025 . 1 . . . . . 16 ASP HA . 50484 1 199 . 1 . 1 16 16 ASP HB2 H 1 2.649 0.003 . 2 . . . . . 16 ASP HB2 . 50484 1 200 . 1 . 1 16 16 ASP HB3 H 1 2.684 0.002 . 2 . . . . . 16 ASP HB3 . 50484 1 201 . 1 . 1 16 16 ASP C C 13 178.444 0.000 . 1 . . . . . 16 ASP C . 50484 1 202 . 1 . 1 16 16 ASP CA C 13 57.299 0.193 . 1 . . . . . 16 ASP CA . 50484 1 203 . 1 . 1 16 16 ASP CB C 13 41.211 0.115 . 1 . . . . . 16 ASP CB . 50484 1 204 . 1 . 1 16 16 ASP N N 15 120.288 0.018 . 1 . . . . . 16 ASP N . 50484 1 205 . 1 . 1 17 17 ALA H H 1 8.172 0.002 . 1 . . . . . 17 ALA H . 50484 1 206 . 1 . 1 17 17 ALA HA H 1 4.198 0.029 . 1 . . . . . 17 ALA HA . 50484 1 207 . 1 . 1 17 17 ALA HB1 H 1 1.452 0.003 . 1 . . . . . 17 ALA HB1 . 50484 1 208 . 1 . 1 17 17 ALA HB2 H 1 1.452 0.003 . 1 . . . . . 17 ALA HB2 . 50484 1 209 . 1 . 1 17 17 ALA HB3 H 1 1.452 0.003 . 1 . . . . . 17 ALA HB3 . 50484 1 210 . 1 . 1 17 17 ALA C C 13 178.372 0.000 . 1 . . . . . 17 ALA C . 50484 1 211 . 1 . 1 17 17 ALA CA C 13 53.569 0.235 . 1 . . . . . 17 ALA CA . 50484 1 212 . 1 . 1 17 17 ALA CB C 13 19.213 0.876 . 1 . . . . . 17 ALA CB . 50484 1 213 . 1 . 1 17 17 ALA N N 15 121.898 0.014 . 1 . . . . . 17 ALA N . 50484 1 214 . 1 . 1 18 18 ALA H H 1 7.144 0.003 . 1 . . . . . 18 ALA H . 50484 1 215 . 1 . 1 18 18 ALA HA H 1 3.921 0.027 . 1 . . . . . 18 ALA HA . 50484 1 216 . 1 . 1 18 18 ALA HB1 H 1 1.388 0.005 . 1 . . . . . 18 ALA HB1 . 50484 1 217 . 1 . 1 18 18 ALA HB2 H 1 1.388 0.005 . 1 . . . . . 18 ALA HB2 . 50484 1 218 . 1 . 1 18 18 ALA HB3 H 1 1.388 0.005 . 1 . . . . . 18 ALA HB3 . 50484 1 219 . 1 . 1 18 18 ALA C C 13 178.708 0.000 . 1 . . . . . 18 ALA C . 50484 1 220 . 1 . 1 18 18 ALA CA C 13 54.001 0.213 . 1 . . . . . 18 ALA CA . 50484 1 221 . 1 . 1 18 18 ALA CB C 13 21.328 0.999 . 1 . . . . . 18 ALA CB . 50484 1 222 . 1 . 1 18 18 ALA N N 15 119.512 0.020 . 1 . . . . . 18 ALA N . 50484 1 223 . 1 . 1 19 19 GLY H H 1 7.681 0.001 . 1 . . . . . 19 GLY H . 50484 1 224 . 1 . 1 19 19 GLY HA2 H 1 3.768 0.026 . 2 . . . . . 19 GLY HA2 . 50484 1 225 . 1 . 1 19 19 GLY HA3 H 1 3.928 0.025 . 2 . . . . . 19 GLY HA3 . 50484 1 226 . 1 . 1 19 19 GLY C C 13 173.231 0.000 . 1 . . . . . 19 GLY C . 50484 1 227 . 1 . 1 19 19 GLY CA C 13 47.567 0.213 . 1 . . . . . 19 GLY CA . 50484 1 228 . 1 . 1 19 19 GLY N N 15 106.684 0.035 . 1 . . . . . 19 GLY N . 50484 1 229 . 1 . 1 20 20 ASP H H 1 9.066 0.008 . 1 . . . . . 20 ASP H . 50484 1 230 . 1 . 1 20 20 ASP HA H 1 4.655 0.024 . 1 . . . . . 20 ASP HA . 50484 1 231 . 1 . 1 20 20 ASP HB2 H 1 2.764 0.010 . 2 . . . . . 20 ASP HB2 . 50484 1 232 . 1 . 1 20 20 ASP HB3 H 1 2.745 0.000 . 1 . . . . . 20 ASP HB3 . 50484 1 233 . 1 . 1 20 20 ASP C C 13 175.966 0.000 . 1 . . . . . 20 ASP C . 50484 1 234 . 1 . 1 20 20 ASP CA C 13 54.535 0.183 . 1 . . . . . 20 ASP CA . 50484 1 235 . 1 . 1 20 20 ASP CB C 13 41.614 0.661 . 1 . . . . . 20 ASP CB . 50484 1 236 . 1 . 1 20 20 ASP N N 15 129.308 0.037 . 1 . . . . . 20 ASP N . 50484 1 237 . 1 . 1 21 21 LYS H H 1 7.801 0.002 . 1 . . . . . 21 LYS H . 50484 1 238 . 1 . 1 21 21 LYS HA H 1 4.299 0.024 . 1 . . . . . 21 LYS HA . 50484 1 239 . 1 . 1 21 21 LYS HB2 H 1 1.886 0.002 . 2 . . . . . 21 LYS HB2 . 50484 1 240 . 1 . 1 21 21 LYS HB3 H 1 1.928 0.005 . 2 . . . . . 21 LYS HB3 . 50484 1 241 . 1 . 1 21 21 LYS HG2 H 1 1.662 0.005 . 2 . . . . . 21 LYS HG2 . 50484 1 242 . 1 . 1 21 21 LYS HG3 H 1 1.558 0.002 . 2 . . . . . 21 LYS HG3 . 50484 1 243 . 1 . 1 21 21 LYS HD2 H 1 1.680 0.005 . 2 . . . . . 21 LYS HD2 . 50484 1 244 . 1 . 1 21 21 LYS HD3 H 1 1.682 0.002 . 2 . . . . . 21 LYS HD3 . 50484 1 245 . 1 . 1 21 21 LYS HE2 H 1 3.054 0.001 . 1 . . . . . 21 LYS HE2 . 50484 1 246 . 1 . 1 21 21 LYS HE3 H 1 3.054 0.001 . 1 . . . . . 21 LYS HE3 . 50484 1 247 . 1 . 1 21 21 LYS C C 13 176.391 0.000 . 1 . . . . . 21 LYS C . 50484 1 248 . 1 . 1 21 21 LYS CA C 13 57.626 0.173 . 1 . . . . . 21 LYS CA . 50484 1 249 . 1 . 1 21 21 LYS CB C 13 33.944 0.121 . 1 . . . . . 21 LYS CB . 50484 1 250 . 1 . 1 21 21 LYS CG C 13 26.560 0.112 . 1 . . . . . 21 LYS CG . 50484 1 251 . 1 . 1 21 21 LYS CD C 13 29.657 0.007 . 1 . . . . . 21 LYS CD . 50484 1 252 . 1 . 1 21 21 LYS CE C 13 42.836 0.001 . 1 . . . . . 21 LYS CE . 50484 1 253 . 1 . 1 21 21 LYS N N 15 120.012 0.016 . 1 . . . . . 21 LYS N . 50484 1 254 . 1 . 1 22 22 LEU H H 1 8.883 0.004 . 1 . . . . . 22 LEU H . 50484 1 255 . 1 . 1 22 22 LEU HA H 1 4.404 0.029 . 1 . . . . . 22 LEU HA . 50484 1 256 . 1 . 1 22 22 LEU HB2 H 1 1.974 0.007 . 2 . . . . . 22 LEU HB2 . 50484 1 257 . 1 . 1 22 22 LEU HB3 H 1 1.444 0.004 . 2 . . . . . 22 LEU HB3 . 50484 1 258 . 1 . 1 22 22 LEU HG H 1 1.557 0.003 . 1 . . . . . 22 LEU HG . 50484 1 259 . 1 . 1 22 22 LEU HD11 H 1 0.858 0.003 . 2 . . . . . 22 LEU HD11 . 50484 1 260 . 1 . 1 22 22 LEU HD12 H 1 0.858 0.003 . 2 . . . . . 22 LEU HD12 . 50484 1 261 . 1 . 1 22 22 LEU HD13 H 1 0.858 0.003 . 2 . . . . . 22 LEU HD13 . 50484 1 262 . 1 . 1 22 22 LEU HD21 H 1 1.041 0.001 . 2 . . . . . 22 LEU HD21 . 50484 1 263 . 1 . 1 22 22 LEU HD22 H 1 1.041 0.001 . 2 . . . . . 22 LEU HD22 . 50484 1 264 . 1 . 1 22 22 LEU HD23 H 1 1.041 0.001 . 2 . . . . . 22 LEU HD23 . 50484 1 265 . 1 . 1 22 22 LEU C C 13 174.632 0.000 . 1 . . . . . 22 LEU C . 50484 1 266 . 1 . 1 22 22 LEU CA C 13 56.020 0.202 . 1 . . . . . 22 LEU CA . 50484 1 267 . 1 . 1 22 22 LEU CB C 13 43.329 0.126 . 1 . . . . . 22 LEU CB . 50484 1 268 . 1 . 1 22 22 LEU CG C 13 27.111 0.140 . 1 . . . . . 22 LEU CG . 50484 1 269 . 1 . 1 22 22 LEU CD1 C 13 27.827 0.000 . 2 . . . . . 22 LEU CD1 . 50484 1 270 . 1 . 1 22 22 LEU CD2 C 13 24.252 0.000 . 2 . . . . . 22 LEU CD2 . 50484 1 271 . 1 . 1 22 22 LEU N N 15 123.555 0.012 . 1 . . . . . 22 LEU N . 50484 1 272 . 1 . 1 23 23 VAL H H 1 9.025 0.005 . 1 . . . . . 23 VAL H . 50484 1 273 . 1 . 1 23 23 VAL HA H 1 4.866 0.008 . 1 . . . . . 23 VAL HA . 50484 1 274 . 1 . 1 23 23 VAL HB H 1 1.985 0.002 . 1 . . . . . 23 VAL HB . 50484 1 275 . 1 . 1 23 23 VAL HG11 H 1 0.624 0.006 . 2 . . . . . 23 VAL HG11 . 50484 1 276 . 1 . 1 23 23 VAL HG12 H 1 0.624 0.006 . 2 . . . . . 23 VAL HG12 . 50484 1 277 . 1 . 1 23 23 VAL HG13 H 1 0.624 0.006 . 2 . . . . . 23 VAL HG13 . 50484 1 278 . 1 . 1 23 23 VAL HG21 H 1 0.845 0.005 . 2 . . . . . 23 VAL HG21 . 50484 1 279 . 1 . 1 23 23 VAL HG22 H 1 0.845 0.005 . 2 . . . . . 23 VAL HG22 . 50484 1 280 . 1 . 1 23 23 VAL HG23 H 1 0.845 0.005 . 2 . . . . . 23 VAL HG23 . 50484 1 281 . 1 . 1 23 23 VAL C C 13 175.321 0.000 . 1 . . . . . 23 VAL C . 50484 1 282 . 1 . 1 23 23 VAL CA C 13 60.647 0.058 . 1 . . . . . 23 VAL CA . 50484 1 283 . 1 . 1 23 23 VAL CB C 13 34.696 0.076 . 1 . . . . . 23 VAL CB . 50484 1 284 . 1 . 1 23 23 VAL CG1 C 13 21.740 0.009 . 2 . . . . . 23 VAL CG1 . 50484 1 285 . 1 . 1 23 23 VAL CG2 C 13 22.084 0.112 . 2 . . . . . 23 VAL CG2 . 50484 1 286 . 1 . 1 23 23 VAL N N 15 126.528 0.031 . 1 . . . . . 23 VAL N . 50484 1 287 . 1 . 1 24 24 VAL H H 1 9.181 0.004 . 1 . . . . . 24 VAL H . 50484 1 288 . 1 . 1 24 24 VAL HA H 1 4.429 0.032 . 1 . . . . . 24 VAL HA . 50484 1 289 . 1 . 1 24 24 VAL HB H 1 1.571 0.005 . 1 . . . . . 24 VAL HB . 50484 1 290 . 1 . 1 24 24 VAL HG11 H 1 0.440 0.001 . 2 . . . . . 24 VAL HG11 . 50484 1 291 . 1 . 1 24 24 VAL HG12 H 1 0.440 0.001 . 2 . . . . . 24 VAL HG12 . 50484 1 292 . 1 . 1 24 24 VAL HG13 H 1 0.440 0.001 . 2 . . . . . 24 VAL HG13 . 50484 1 293 . 1 . 1 24 24 VAL HG21 H 1 0.565 0.001 . 2 . . . . . 24 VAL HG21 . 50484 1 294 . 1 . 1 24 24 VAL HG22 H 1 0.565 0.001 . 2 . . . . . 24 VAL HG22 . 50484 1 295 . 1 . 1 24 24 VAL HG23 H 1 0.565 0.001 . 2 . . . . . 24 VAL HG23 . 50484 1 296 . 1 . 1 24 24 VAL C C 13 173.719 0.000 . 1 . . . . . 24 VAL C . 50484 1 297 . 1 . 1 24 24 VAL CA C 13 60.617 0.234 . 1 . . . . . 24 VAL CA . 50484 1 298 . 1 . 1 24 24 VAL CB C 13 33.718 0.170 . 1 . . . . . 24 VAL CB . 50484 1 299 . 1 . 1 24 24 VAL CG1 C 13 21.411 0.000 . 2 . . . . . 24 VAL CG1 . 50484 1 300 . 1 . 1 24 24 VAL CG2 C 13 21.943 0.000 . 2 . . . . . 24 VAL CG2 . 50484 1 301 . 1 . 1 24 24 VAL N N 15 127.262 0.032 . 1 . . . . . 24 VAL N . 50484 1 302 . 1 . 1 25 25 VAL H H 1 9.237 0.010 . 1 . . . . . 25 VAL H . 50484 1 303 . 1 . 1 25 25 VAL HA H 1 4.659 0.002 . 1 . . . . . 25 VAL HA . 50484 1 304 . 1 . 1 25 25 VAL HB H 1 1.979 0.002 . 1 . . . . . 25 VAL HB . 50484 1 305 . 1 . 1 25 25 VAL HG11 H 1 0.893 0.001 . 2 . . . . . 25 VAL HG11 . 50484 1 306 . 1 . 1 25 25 VAL HG12 H 1 0.893 0.001 . 2 . . . . . 25 VAL HG12 . 50484 1 307 . 1 . 1 25 25 VAL HG13 H 1 0.893 0.001 . 2 . . . . . 25 VAL HG13 . 50484 1 308 . 1 . 1 25 25 VAL HG21 H 1 0.049 0.003 . 2 . . . . . 25 VAL HG21 . 50484 1 309 . 1 . 1 25 25 VAL HG22 H 1 0.049 0.003 . 2 . . . . . 25 VAL HG22 . 50484 1 310 . 1 . 1 25 25 VAL HG23 H 1 0.049 0.003 . 2 . . . . . 25 VAL HG23 . 50484 1 311 . 1 . 1 25 25 VAL C C 13 174.354 0.000 . 1 . . . . . 25 VAL C . 50484 1 312 . 1 . 1 25 25 VAL CA C 13 60.887 0.073 . 1 . . . . . 25 VAL CA . 50484 1 313 . 1 . 1 25 25 VAL CB C 13 34.704 0.024 . 1 . . . . . 25 VAL CB . 50484 1 314 . 1 . 1 25 25 VAL CG1 C 13 22.791 0.000 . 2 . . . . . 25 VAL CG1 . 50484 1 315 . 1 . 1 25 25 VAL CG2 C 13 22.356 0.000 . 2 . . . . . 25 VAL CG2 . 50484 1 316 . 1 . 1 25 25 VAL N N 15 127.371 0.071 . 1 . . . . . 25 VAL N . 50484 1 317 . 1 . 1 26 26 ASP H H 1 8.463 0.004 . 1 . . . . . 26 ASP H . 50484 1 318 . 1 . 1 26 26 ASP HA H 1 4.245 0.025 . 1 . . . . . 26 ASP HA . 50484 1 319 . 1 . 1 26 26 ASP HB2 H 1 2.210 0.008 . 2 . . . . . 26 ASP HB2 . 50484 1 320 . 1 . 1 26 26 ASP HB3 H 1 2.212 0.008 . 2 . . . . . 26 ASP HB3 . 50484 1 321 . 1 . 1 26 26 ASP C C 13 174.627 0.000 . 1 . . . . . 26 ASP C . 50484 1 322 . 1 . 1 26 26 ASP CA C 13 51.391 0.184 . 1 . . . . . 26 ASP CA . 50484 1 323 . 1 . 1 26 26 ASP CB C 13 38.943 0.227 . 1 . . . . . 26 ASP CB . 50484 1 324 . 1 . 1 26 26 ASP N N 15 124.256 0.025 . 1 . . . . . 26 ASP N . 50484 1 325 . 1 . 1 27 27 PHE H H 1 8.809 0.003 . 1 . . . . . 27 PHE H . 50484 1 326 . 1 . 1 27 27 PHE HA H 1 5.065 0.025 . 1 . . . . . 27 PHE HA . 50484 1 327 . 1 . 1 27 27 PHE HB2 H 1 2.943 0.003 . 2 . . . . . 27 PHE HB2 . 50484 1 328 . 1 . 1 27 27 PHE HB3 H 1 2.386 0.003 . 2 . . . . . 27 PHE HB3 . 50484 1 329 . 1 . 1 27 27 PHE HD1 H 1 6.856 0.012 . 1 . . . . . 27 PHE HD1 . 50484 1 330 . 1 . 1 27 27 PHE HD2 H 1 6.856 0.012 . 1 . . . . . 27 PHE HD2 . 50484 1 331 . 1 . 1 27 27 PHE HE1 H 1 7.619 0.015 . 1 . . . . . 27 PHE HE1 . 50484 1 332 . 1 . 1 27 27 PHE HE2 H 1 7.619 0.015 . 1 . . . . . 27 PHE HE2 . 50484 1 333 . 1 . 1 27 27 PHE HZ H 1 8.155 0.000 . 1 . . . . . 27 PHE HZ . 50484 1 334 . 1 . 1 27 27 PHE C C 13 173.353 0.000 . 1 . . . . . 27 PHE C . 50484 1 335 . 1 . 1 27 27 PHE CA C 13 57.940 0.177 . 1 . . . . . 27 PHE CA . 50484 1 336 . 1 . 1 27 27 PHE CB C 13 39.412 0.121 . 1 . . . . . 27 PHE CB . 50484 1 337 . 1 . 1 27 27 PHE CG C 13 132.617 0.000 . 1 . . . . . 27 PHE CG . 50484 1 338 . 1 . 1 27 27 PHE CD1 C 13 131.820 0.000 . 1 . . . . . 27 PHE CD1 . 50484 1 339 . 1 . 1 27 27 PHE CD2 C 13 131.820 0.000 . 1 . . . . . 27 PHE CD2 . 50484 1 340 . 1 . 1 27 27 PHE CE1 C 13 132.318 0.000 . 1 . . . . . 27 PHE CE1 . 50484 1 341 . 1 . 1 27 27 PHE CE2 C 13 132.318 0.000 . 1 . . . . . 27 PHE CE2 . 50484 1 342 . 1 . 1 27 27 PHE N N 15 126.454 0.021 . 1 . . . . . 27 PHE N . 50484 1 343 . 1 . 1 28 28 SER H H 1 8.500 0.002 . 1 . . . . . 28 SER H . 50484 1 344 . 1 . 1 28 28 SER HA H 1 4.470 0.018 . 1 . . . . . 28 SER HA . 50484 1 345 . 1 . 1 28 28 SER HB2 H 1 3.457 0.001 . 2 . . . . . 28 SER HB2 . 50484 1 346 . 1 . 1 28 28 SER HB3 H 1 3.541 0.000 . 1 . . . . . 28 SER HB3 . 50484 1 347 . 1 . 1 28 28 SER C C 13 171.648 0.000 . 1 . . . . . 28 SER C . 50484 1 348 . 1 . 1 28 28 SER CA C 13 56.454 0.146 . 1 . . . . . 28 SER CA . 50484 1 349 . 1 . 1 28 28 SER CB C 13 67.233 0.176 . 1 . . . . . 28 SER CB . 50484 1 350 . 1 . 1 28 28 SER N N 15 118.166 0.021 . 1 . . . . . 28 SER N . 50484 1 351 . 1 . 1 29 29 ALA H H 1 6.677 0.004 . 1 . . . . . 29 ALA H . 50484 1 352 . 1 . 1 29 29 ALA HA H 1 4.746 0.003 . 1 . . . . . 29 ALA HA . 50484 1 353 . 1 . 1 29 29 ALA HB1 H 1 0.046 0.005 . 1 . . . . . 29 ALA HB1 . 50484 1 354 . 1 . 1 29 29 ALA HB2 H 1 0.046 0.005 . 1 . . . . . 29 ALA HB2 . 50484 1 355 . 1 . 1 29 29 ALA HB3 H 1 0.046 0.005 . 1 . . . . . 29 ALA HB3 . 50484 1 356 . 1 . 1 29 29 ALA C C 13 179.368 0.000 . 1 . . . . . 29 ALA C . 50484 1 357 . 1 . 1 29 29 ALA CA C 13 51.107 0.104 . 1 . . . . . 29 ALA CA . 50484 1 358 . 1 . 1 29 29 ALA CB C 13 22.441 0.125 . 1 . . . . . 29 ALA CB . 50484 1 359 . 1 . 1 29 29 ALA N N 15 116.845 0.017 . 1 . . . . . 29 ALA N . 50484 1 360 . 1 . 1 30 30 THR H H 1 9.691 0.003 . 1 . . . . . 30 THR H . 50484 1 361 . 1 . 1 30 30 THR HA H 1 3.822 0.033 . 1 . . . . . 30 THR HA . 50484 1 362 . 1 . 1 30 30 THR HB H 1 4.256 0.005 . 1 . . . . . 30 THR HB . 50484 1 363 . 1 . 1 30 30 THR HG21 H 1 1.374 0.008 . 1 . . . . . 30 THR HG21 . 50484 1 364 . 1 . 1 30 30 THR HG22 H 1 1.374 0.008 . 1 . . . . . 30 THR HG22 . 50484 1 365 . 1 . 1 30 30 THR HG23 H 1 1.374 0.008 . 1 . . . . . 30 THR HG23 . 50484 1 366 . 1 . 1 30 30 THR C C 13 174.885 0.000 . 1 . . . . . 30 THR C . 50484 1 367 . 1 . 1 30 30 THR CA C 13 65.165 0.769 . 1 . . . . . 30 THR CA . 50484 1 368 . 1 . 1 30 30 THR CB C 13 70.347 1.033 . 1 . . . . . 30 THR CB . 50484 1 369 . 1 . 1 30 30 THR CG2 C 13 21.888 0.548 . 1 . . . . . 30 THR CG2 . 50484 1 370 . 1 . 1 30 30 THR N N 15 116.825 0.019 . 1 . . . . . 30 THR N . 50484 1 371 . 1 . 1 31 31 TRP H H 1 6.507 0.003 . 1 . . . . . 31 TRP H . 50484 1 372 . 1 . 1 31 31 TRP HA H 1 4.617 0.025 . 1 . . . . . 31 TRP HA . 50484 1 373 . 1 . 1 31 31 TRP HB2 H 1 3.150 0.006 . 2 . . . . . 31 TRP HB2 . 50484 1 374 . 1 . 1 31 31 TRP HB3 H 1 3.708 0.007 . 2 . . . . . 31 TRP HB3 . 50484 1 375 . 1 . 1 31 31 TRP HD1 H 1 7.234 0.070 . 1 . . . . . 31 TRP HD1 . 50484 1 376 . 1 . 1 31 31 TRP HE1 H 1 11.477 0.000 . 1 . . . . . 31 TRP HE1 . 50484 1 377 . 1 . 1 31 31 TRP HE3 H 1 7.191 0.000 . 1 . . . . . 31 TRP HE3 . 50484 1 378 . 1 . 1 31 31 TRP HZ2 H 1 7.397 0.009 . 1 . . . . . 31 TRP HZ2 . 50484 1 379 . 1 . 1 31 31 TRP HH2 H 1 7.129 0.007 . 1 . . . . . 31 TRP HH2 . 50484 1 380 . 1 . 1 31 31 TRP C C 13 176.341 0.000 . 1 . . . . . 31 TRP C . 50484 1 381 . 1 . 1 31 31 TRP CA C 13 53.603 0.143 . 1 . . . . . 31 TRP CA . 50484 1 382 . 1 . 1 31 31 TRP CB C 13 29.696 0.146 . 1 . . . . . 31 TRP CB . 50484 1 383 . 1 . 1 31 31 TRP CD1 C 13 125.664 0.000 . 1 . . . . . 31 TRP CD1 . 50484 1 384 . 1 . 1 31 31 TRP CE3 C 13 119.138 0.000 . 1 . . . . . 31 TRP CE3 . 50484 1 385 . 1 . 1 31 31 TRP CZ2 C 13 115.780 0.000 . 1 . . . . . 31 TRP CZ2 . 50484 1 386 . 1 . 1 31 31 TRP CH2 C 13 122.196 0.000 . 1 . . . . . 31 TRP CH2 . 50484 1 387 . 1 . 1 31 31 TRP N N 15 114.925 0.025 . 1 . . . . . 31 TRP N . 50484 1 388 . 1 . 1 31 31 TRP NE1 N 15 136.510 0.000 . 1 . . . . . 31 TRP NE1 . 50484 1 389 . 1 . 1 32 32 SER H H 1 6.414 0.005 . 1 . . . . . 32 SER H . 50484 1 390 . 1 . 1 32 32 SER HA H 1 3.978 0.001 . 1 . . . . . 32 SER HA . 50484 1 391 . 1 . 1 32 32 SER HB2 H 1 3.944 0.004 . 2 . . . . . 32 SER HB2 . 50484 1 392 . 1 . 1 32 32 SER HB3 H 1 4.007 0.005 . 2 . . . . . 32 SER HB3 . 50484 1 393 . 1 . 1 32 32 SER C C 13 174.505 0.000 . 1 . . . . . 32 SER C . 50484 1 394 . 1 . 1 32 32 SER CA C 13 56.212 0.092 . 1 . . . . . 32 SER CA . 50484 1 395 . 1 . 1 32 32 SER CB C 13 62.563 0.071 . 1 . . . . . 32 SER CB . 50484 1 396 . 1 . 1 32 32 SER N N 15 115.847 0.028 . 1 . . . . . 32 SER N . 50484 1 397 . 1 . 1 33 33 GLY H H 1 9.526 0.004 . 1 . . . . . 33 GLY H . 50484 1 398 . 1 . 1 33 33 GLY HA2 H 1 4.218 0.007 . 2 . . . . . 33 GLY HA2 . 50484 1 399 . 1 . 1 33 33 GLY HA3 H 1 3.939 0.005 . 2 . . . . . 33 GLY HA3 . 50484 1 400 . 1 . 1 33 33 GLY CA C 13 48.964 0.030 . 1 . . . . . 33 GLY CA . 50484 1 401 . 1 . 1 33 33 GLY N N 15 120.436 0.061 . 1 . . . . . 33 GLY N . 50484 1 402 . 1 . 1 34 34 PRO HA H 1 4.345 0.032 . 1 . . . . . 34 PRO HA . 50484 1 403 . 1 . 1 34 34 PRO HB2 H 1 2.516 0.003 . 2 . . . . . 34 PRO HB2 . 50484 1 404 . 1 . 1 34 34 PRO HB3 H 1 1.832 0.003 . 2 . . . . . 34 PRO HB3 . 50484 1 405 . 1 . 1 34 34 PRO HG2 H 1 2.272 0.006 . 2 . . . . . 34 PRO HG2 . 50484 1 406 . 1 . 1 34 34 PRO HG3 H 1 2.048 0.005 . 2 . . . . . 34 PRO HG3 . 50484 1 407 . 1 . 1 34 34 PRO HD2 H 1 3.777 0.004 . 2 . . . . . 34 PRO HD2 . 50484 1 408 . 1 . 1 34 34 PRO HD3 H 1 3.979 0.006 . 2 . . . . . 34 PRO HD3 . 50484 1 409 . 1 . 1 34 34 PRO C C 13 178.336 0.000 . 1 . . . . . 34 PRO C . 50484 1 410 . 1 . 1 34 34 PRO CA C 13 65.933 0.756 . 1 . . . . . 34 PRO CA . 50484 1 411 . 1 . 1 34 34 PRO CB C 13 32.833 0.125 . 1 . . . . . 34 PRO CB . 50484 1 412 . 1 . 1 34 34 PRO CG C 13 28.443 0.087 . 1 . . . . . 34 PRO CG . 50484 1 413 . 1 . 1 34 34 PRO CD C 13 51.781 0.005 . 1 . . . . . 34 PRO CD . 50484 1 414 . 1 . 1 35 35 SER H H 1 7.396 0.002 . 1 . . . . . 35 SER H . 50484 1 415 . 1 . 1 35 35 SER HA H 1 4.091 0.004 . 1 . . . . . 35 SER HA . 50484 1 416 . 1 . 1 35 35 SER HB2 H 1 3.932 0.008 . 2 . . . . . 35 SER HB2 . 50484 1 417 . 1 . 1 35 35 SER HB3 H 1 3.953 0.000 . 2 . . . . . 35 SER HB3 . 50484 1 418 . 1 . 1 35 35 SER C C 13 176.539 0.000 . 1 . . . . . 35 SER C . 50484 1 419 . 1 . 1 35 35 SER CA C 13 62.708 0.133 . 1 . . . . . 35 SER CA . 50484 1 420 . 1 . 1 35 35 SER CB C 13 63.912 0.041 . 1 . . . . . 35 SER CB . 50484 1 421 . 1 . 1 35 35 SER N N 15 111.706 0.031 . 1 . . . . . 35 SER N . 50484 1 422 . 1 . 1 36 36 LYS H H 1 8.090 0.001 . 1 . . . . . 36 LYS H . 50484 1 423 . 1 . 1 36 36 LYS HA H 1 3.922 0.025 . 1 . . . . . 36 LYS HA . 50484 1 424 . 1 . 1 36 36 LYS HB2 H 1 1.906 0.001 . 2 . . . . . 36 LYS HB2 . 50484 1 425 . 1 . 1 36 36 LYS HB3 H 1 2.016 0.003 . 2 . . . . . 36 LYS HB3 . 50484 1 426 . 1 . 1 36 36 LYS HG2 H 1 1.473 0.002 . 2 . . . . . 36 LYS HG2 . 50484 1 427 . 1 . 1 36 36 LYS HG3 H 1 1.619 0.003 . 2 . . . . . 36 LYS HG3 . 50484 1 428 . 1 . 1 36 36 LYS HD2 H 1 1.737 0.001 . 2 . . . . . 36 LYS HD2 . 50484 1 429 . 1 . 1 36 36 LYS HD3 H 1 1.783 0.002 . 2 . . . . . 36 LYS HD3 . 50484 1 430 . 1 . 1 36 36 LYS HE2 H 1 3.015 0.002 . 2 . . . . . 36 LYS HE2 . 50484 1 431 . 1 . 1 36 36 LYS HE3 H 1 2.894 0.001 . 2 . . . . . 36 LYS HE3 . 50484 1 432 . 1 . 1 36 36 LYS C C 13 179.593 0.000 . 1 . . . . . 36 LYS C . 50484 1 433 . 1 . 1 36 36 LYS CA C 13 60.121 0.174 . 1 . . . . . 36 LYS CA . 50484 1 434 . 1 . 1 36 36 LYS CB C 13 32.601 0.092 . 1 . . . . . 36 LYS CB . 50484 1 435 . 1 . 1 36 36 LYS CG C 13 25.730 0.102 . 1 . . . . . 36 LYS CG . 50484 1 436 . 1 . 1 36 36 LYS CD C 13 29.741 0.002 . 1 . . . . . 36 LYS CD . 50484 1 437 . 1 . 1 36 36 LYS CE C 13 42.252 0.003 . 1 . . . . . 36 LYS CE . 50484 1 438 . 1 . 1 36 36 LYS N N 15 122.816 0.015 . 1 . . . . . 36 LYS N . 50484 1 439 . 1 . 1 37 37 MET H H 1 8.250 0.003 . 1 . . . . . 37 MET H . 50484 1 440 . 1 . 1 37 37 MET HA H 1 4.224 0.024 . 1 . . . . . 37 MET HA . 50484 1 441 . 1 . 1 37 37 MET HB2 H 1 2.253 0.005 . 2 . . . . . 37 MET HB2 . 50484 1 442 . 1 . 1 37 37 MET HB3 H 1 2.282 0.005 . 2 . . . . . 37 MET HB3 . 50484 1 443 . 1 . 1 37 37 MET HG2 H 1 2.775 0.004 . 2 . . . . . 37 MET HG2 . 50484 1 444 . 1 . 1 37 37 MET HG3 H 1 2.661 0.003 . 2 . . . . . 37 MET HG3 . 50484 1 445 . 1 . 1 37 37 MET HE1 H 1 2.184 0.000 . 1 . . . . . 37 MET HE1 . 50484 1 446 . 1 . 1 37 37 MET HE2 H 1 2.184 0.000 . 1 . . . . . 37 MET HE2 . 50484 1 447 . 1 . 1 37 37 MET HE3 H 1 2.184 0.000 . 1 . . . . . 37 MET HE3 . 50484 1 448 . 1 . 1 37 37 MET C C 13 178.072 0.000 . 1 . . . . . 37 MET C . 50484 1 449 . 1 . 1 37 37 MET CA C 13 58.522 0.198 . 1 . . . . . 37 MET CA . 50484 1 450 . 1 . 1 37 37 MET CB C 13 32.686 0.209 . 1 . . . . . 37 MET CB . 50484 1 451 . 1 . 1 37 37 MET CG C 13 32.499 0.011 . 1 . . . . . 37 MET CG . 50484 1 452 . 1 . 1 37 37 MET CE C 13 17.679 0.000 . 1 . . . . . 37 MET CE . 50484 1 453 . 1 . 1 37 37 MET N N 15 117.955 0.021 . 1 . . . . . 37 MET N . 50484 1 454 . 1 . 1 38 38 ILE H H 1 7.556 0.002 . 1 . . . . . 38 ILE H . 50484 1 455 . 1 . 1 38 38 ILE HA H 1 4.664 0.007 . 1 . . . . . 38 ILE HA . 50484 1 456 . 1 . 1 38 38 ILE HB H 1 1.927 0.007 . 1 . . . . . 38 ILE HB . 50484 1 457 . 1 . 1 38 38 ILE HG12 H 1 1.846 0.007 . 2 . . . . . 38 ILE HG12 . 50484 1 458 . 1 . 1 38 38 ILE HG13 H 1 1.925 0.008 . 2 . . . . . 38 ILE HG13 . 50484 1 459 . 1 . 1 38 38 ILE HG21 H 1 1.306 0.010 . 1 . . . . . 38 ILE HG21 . 50484 1 460 . 1 . 1 38 38 ILE HG22 H 1 1.306 0.010 . 1 . . . . . 38 ILE HG22 . 50484 1 461 . 1 . 1 38 38 ILE HG23 H 1 1.306 0.010 . 1 . . . . . 38 ILE HG23 . 50484 1 462 . 1 . 1 38 38 ILE HD11 H 1 0.955 0.015 . 1 . . . . . 38 ILE HD11 . 50484 1 463 . 1 . 1 38 38 ILE HD12 H 1 0.955 0.015 . 1 . . . . . 38 ILE HD12 . 50484 1 464 . 1 . 1 38 38 ILE HD13 H 1 0.955 0.015 . 1 . . . . . 38 ILE HD13 . 50484 1 465 . 1 . 1 38 38 ILE C C 13 175.392 0.000 . 1 . . . . . 38 ILE C . 50484 1 466 . 1 . 1 38 38 ILE CA C 13 61.573 1.196 . 1 . . . . . 38 ILE CA . 50484 1 467 . 1 . 1 38 38 ILE CB C 13 41.354 0.092 . 1 . . . . . 38 ILE CB . 50484 1 468 . 1 . 1 38 38 ILE CG1 C 13 32.179 0.086 . 1 . . . . . 38 ILE CG1 . 50484 1 469 . 1 . 1 38 38 ILE CG2 C 13 18.031 0.203 . 1 . . . . . 38 ILE CG2 . 50484 1 470 . 1 . 1 38 38 ILE CD1 C 13 14.908 0.086 . 1 . . . . . 38 ILE CD1 . 50484 1 471 . 1 . 1 38 38 ILE N N 15 116.110 0.028 . 1 . . . . . 38 ILE N . 50484 1 472 . 1 . 1 39 39 LYS H H 1 7.530 0.003 . 1 . . . . . 39 LYS H . 50484 1 473 . 1 . 1 39 39 LYS CA C 13 62.370 0.027 . 1 . . . . . 39 LYS CA . 50484 1 474 . 1 . 1 39 39 LYS CB C 13 30.465 0.000 . 1 . . . . . 39 LYS CB . 50484 1 475 . 1 . 1 39 39 LYS N N 15 126.211 0.022 . 1 . . . . . 39 LYS N . 50484 1 476 . 1 . 1 40 40 PRO HA H 1 4.441 0.028 . 1 . . . . . 40 PRO HA . 50484 1 477 . 1 . 1 40 40 PRO HB2 H 1 2.372 0.004 . 2 . . . . . 40 PRO HB2 . 50484 1 478 . 1 . 1 40 40 PRO HB3 H 1 1.986 0.012 . 2 . . . . . 40 PRO HB3 . 50484 1 479 . 1 . 1 40 40 PRO HG2 H 1 2.049 0.021 . 2 . . . . . 40 PRO HG2 . 50484 1 480 . 1 . 1 40 40 PRO HG3 H 1 2.166 0.006 . 2 . . . . . 40 PRO HG3 . 50484 1 481 . 1 . 1 40 40 PRO HD2 H 1 3.797 0.007 . 2 . . . . . 40 PRO HD2 . 50484 1 482 . 1 . 1 40 40 PRO HD3 H 1 3.894 0.013 . 2 . . . . . 40 PRO HD3 . 50484 1 483 . 1 . 1 40 40 PRO C C 13 179.875 0.000 . 1 . . . . . 40 PRO C . 50484 1 484 . 1 . 1 40 40 PRO CA C 13 66.347 0.210 . 1 . . . . . 40 PRO CA . 50484 1 485 . 1 . 1 40 40 PRO CB C 13 30.962 0.200 . 1 . . . . . 40 PRO CB . 50484 1 486 . 1 . 1 40 40 PRO CG C 13 28.856 0.125 . 1 . . . . . 40 PRO CG . 50484 1 487 . 1 . 1 40 40 PRO CD C 13 50.427 0.100 . 1 . . . . . 40 PRO CD . 50484 1 488 . 1 . 1 41 41 PHE H H 1 7.623 0.002 . 1 . . . . . 41 PHE H . 50484 1 489 . 1 . 1 41 41 PHE HA H 1 4.473 0.024 . 1 . . . . . 41 PHE HA . 50484 1 490 . 1 . 1 41 41 PHE HB2 H 1 3.505 0.007 . 2 . . . . . 41 PHE HB2 . 50484 1 491 . 1 . 1 41 41 PHE HB3 H 1 3.228 0.006 . 2 . . . . . 41 PHE HB3 . 50484 1 492 . 1 . 1 41 41 PHE HD1 H 1 7.259 0.007 . 1 . . . . . 41 PHE HD1 . 50484 1 493 . 1 . 1 41 41 PHE HD2 H 1 7.259 0.007 . 1 . . . . . 41 PHE HD2 . 50484 1 494 . 1 . 1 41 41 PHE HE1 H 1 6.736 0.000 . 1 . . . . . 41 PHE HE1 . 50484 1 495 . 1 . 1 41 41 PHE HE2 H 1 6.736 0.000 . 1 . . . . . 41 PHE HE2 . 50484 1 496 . 1 . 1 41 41 PHE HZ H 1 7.606 0.000 . 1 . . . . . 41 PHE HZ . 50484 1 497 . 1 . 1 41 41 PHE C C 13 177.510 0.000 . 1 . . . . . 41 PHE C . 50484 1 498 . 1 . 1 41 41 PHE CA C 13 61.208 0.179 . 1 . . . . . 41 PHE CA . 50484 1 499 . 1 . 1 41 41 PHE CB C 13 39.749 0.124 . 1 . . . . . 41 PHE CB . 50484 1 500 . 1 . 1 41 41 PHE CD1 C 13 131.709 0.000 . 1 . . . . . 41 PHE CD1 . 50484 1 501 . 1 . 1 41 41 PHE CD2 C 13 131.709 0.000 . 1 . . . . . 41 PHE CD2 . 50484 1 502 . 1 . 1 41 41 PHE CE1 C 13 131.800 0.000 . 1 . . . . . 41 PHE CE1 . 50484 1 503 . 1 . 1 41 41 PHE CE2 C 13 131.800 0.000 . 1 . . . . . 41 PHE CE2 . 50484 1 504 . 1 . 1 41 41 PHE N N 15 120.431 0.019 . 1 . . . . . 41 PHE N . 50484 1 505 . 1 . 1 42 42 PHE H H 1 8.848 0.003 . 1 . . . . . 42 PHE H . 50484 1 506 . 1 . 1 42 42 PHE HA H 1 3.978 0.022 . 1 . . . . . 42 PHE HA . 50484 1 507 . 1 . 1 42 42 PHE HB2 H 1 3.566 0.006 . 2 . . . . . 42 PHE HB2 . 50484 1 508 . 1 . 1 42 42 PHE HB3 H 1 3.141 0.005 . 2 . . . . . 42 PHE HB3 . 50484 1 509 . 1 . 1 42 42 PHE HD1 H 1 7.291 0.016 . 1 . . . . . 42 PHE HD1 . 50484 1 510 . 1 . 1 42 42 PHE HD2 H 1 7.291 0.016 . 1 . . . . . 42 PHE HD2 . 50484 1 511 . 1 . 1 42 42 PHE HE1 H 1 7.327 0.000 . 1 . . . . . 42 PHE HE1 . 50484 1 512 . 1 . 1 42 42 PHE HE2 H 1 7.327 0.000 . 1 . . . . . 42 PHE HE2 . 50484 1 513 . 1 . 1 42 42 PHE C C 13 176.478 0.000 . 1 . . . . . 42 PHE C . 50484 1 514 . 1 . 1 42 42 PHE CA C 13 63.064 0.160 . 1 . . . . . 42 PHE CA . 50484 1 515 . 1 . 1 42 42 PHE CB C 13 40.077 0.145 . 1 . . . . . 42 PHE CB . 50484 1 516 . 1 . 1 42 42 PHE CD1 C 13 132.223 0.000 . 1 . . . . . 42 PHE CD1 . 50484 1 517 . 1 . 1 42 42 PHE CD2 C 13 132.223 0.000 . 1 . . . . . 42 PHE CD2 . 50484 1 518 . 1 . 1 42 42 PHE CE1 C 13 132.491 0.000 . 1 . . . . . 42 PHE CE1 . 50484 1 519 . 1 . 1 42 42 PHE CE2 C 13 132.491 0.000 . 1 . . . . . 42 PHE CE2 . 50484 1 520 . 1 . 1 42 42 PHE N N 15 122.789 0.011 . 1 . . . . . 42 PHE N . 50484 1 521 . 1 . 1 43 43 HIS H H 1 8.356 0.004 . 1 . . . . . 43 HIS H . 50484 1 522 . 1 . 1 43 43 HIS HA H 1 3.745 0.026 . 1 . . . . . 43 HIS HA . 50484 1 523 . 1 . 1 43 43 HIS HB2 H 1 3.139 0.008 . 2 . . . . . 43 HIS HB2 . 50484 1 524 . 1 . 1 43 43 HIS HB3 H 1 3.194 0.012 . 2 . . . . . 43 HIS HB3 . 50484 1 525 . 1 . 1 43 43 HIS C C 13 179.613 0.000 . 1 . . . . . 43 HIS C . 50484 1 526 . 1 . 1 43 43 HIS CA C 13 60.726 0.189 . 1 . . . . . 43 HIS CA . 50484 1 527 . 1 . 1 43 43 HIS CB C 13 30.570 0.120 . 1 . . . . . 43 HIS CB . 50484 1 528 . 1 . 1 43 43 HIS N N 15 115.745 0.032 . 1 . . . . . 43 HIS N . 50484 1 529 . 1 . 1 44 44 SER H H 1 8.507 0.002 . 1 . . . . . 44 SER H . 50484 1 530 . 1 . 1 44 44 SER HA H 1 4.176 0.023 . 1 . . . . . 44 SER HA . 50484 1 531 . 1 . 1 44 44 SER HB2 H 1 3.945 0.032 . 2 . . . . . 44 SER HB2 . 50484 1 532 . 1 . 1 44 44 SER HB3 H 1 3.951 0.026 . 2 . . . . . 44 SER HB3 . 50484 1 533 . 1 . 1 44 44 SER C C 13 177.309 0.000 . 1 . . . . . 44 SER C . 50484 1 534 . 1 . 1 44 44 SER CA C 13 62.151 0.241 . 1 . . . . . 44 SER CA . 50484 1 535 . 1 . 1 44 44 SER CB C 13 62.845 0.179 . 1 . . . . . 44 SER CB . 50484 1 536 . 1 . 1 44 44 SER N N 15 119.788 0.012 . 1 . . . . . 44 SER N . 50484 1 537 . 1 . 1 45 45 LEU H H 1 7.904 0.004 . 1 . . . . . 45 LEU H . 50484 1 538 . 1 . 1 45 45 LEU HA H 1 3.812 0.032 . 1 . . . . . 45 LEU HA . 50484 1 539 . 1 . 1 45 45 LEU HB2 H 1 1.091 0.018 . 2 . . . . . 45 LEU HB2 . 50484 1 540 . 1 . 1 45 45 LEU HB3 H 1 1.517 0.008 . 2 . . . . . 45 LEU HB3 . 50484 1 541 . 1 . 1 45 45 LEU HG H 1 1.124 0.015 . 1 . . . . . 45 LEU HG . 50484 1 542 . 1 . 1 45 45 LEU HD11 H 1 0.666 0.016 . 2 . . . . . 45 LEU HD11 . 50484 1 543 . 1 . 1 45 45 LEU HD12 H 1 0.666 0.016 . 2 . . . . . 45 LEU HD12 . 50484 1 544 . 1 . 1 45 45 LEU HD13 H 1 0.666 0.016 . 2 . . . . . 45 LEU HD13 . 50484 1 545 . 1 . 1 45 45 LEU HD21 H 1 0.707 0.016 . 2 . . . . . 45 LEU HD21 . 50484 1 546 . 1 . 1 45 45 LEU HD22 H 1 0.707 0.016 . 2 . . . . . 45 LEU HD22 . 50484 1 547 . 1 . 1 45 45 LEU HD23 H 1 0.707 0.016 . 2 . . . . . 45 LEU HD23 . 50484 1 548 . 1 . 1 45 45 LEU C C 13 177.836 0.000 . 1 . . . . . 45 LEU C . 50484 1 549 . 1 . 1 45 45 LEU CA C 13 57.662 0.233 . 1 . . . . . 45 LEU CA . 50484 1 550 . 1 . 1 45 45 LEU CB C 13 41.805 0.118 . 1 . . . . . 45 LEU CB . 50484 1 551 . 1 . 1 45 45 LEU CG C 13 25.465 0.210 . 1 . . . . . 45 LEU CG . 50484 1 552 . 1 . 1 45 45 LEU CD1 C 13 27.297 0.141 . 1 . . . . . 45 LEU CD1 . 50484 1 553 . 1 . 1 45 45 LEU CD2 C 13 27.297 0.141 . 1 . . . . . 45 LEU CD2 . 50484 1 554 . 1 . 1 45 45 LEU N N 15 123.624 0.017 . 1 . . . . . 45 LEU N . 50484 1 555 . 1 . 1 46 46 SER H H 1 6.764 0.002 . 1 . . . . . 46 SER H . 50484 1 556 . 1 . 1 46 46 SER HA H 1 3.234 0.021 . 1 . . . . . 46 SER HA . 50484 1 557 . 1 . 1 46 46 SER HB2 H 1 2.948 0.010 . 2 . . . . . 46 SER HB2 . 50484 1 558 . 1 . 1 46 46 SER HB3 H 1 2.971 0.001 . 2 . . . . . 46 SER HB3 . 50484 1 559 . 1 . 1 46 46 SER C C 13 175.458 0.000 . 1 . . . . . 46 SER C . 50484 1 560 . 1 . 1 46 46 SER CA C 13 60.413 0.148 . 1 . . . . . 46 SER CA . 50484 1 561 . 1 . 1 46 46 SER CB C 13 62.984 0.184 . 1 . . . . . 46 SER CB . 50484 1 562 . 1 . 1 46 46 SER N N 15 115.475 0.020 . 1 . . . . . 46 SER N . 50484 1 563 . 1 . 1 47 47 GLU H H 1 6.832 0.002 . 1 . . . . . 47 GLU H . 50484 1 564 . 1 . 1 47 47 GLU HA H 1 4.025 0.031 . 1 . . . . . 47 GLU HA . 50484 1 565 . 1 . 1 47 47 GLU HB2 H 1 1.974 0.012 . 2 . . . . . 47 GLU HB2 . 50484 1 566 . 1 . 1 47 47 GLU HB3 H 1 1.995 0.009 . 2 . . . . . 47 GLU HB3 . 50484 1 567 . 1 . 1 47 47 GLU HG2 H 1 2.094 0.041 . 2 . . . . . 47 GLU HG2 . 50484 1 568 . 1 . 1 47 47 GLU HG3 H 1 2.200 0.015 . 2 . . . . . 47 GLU HG3 . 50484 1 569 . 1 . 1 47 47 GLU C C 13 176.790 0.000 . 1 . . . . . 47 GLU C . 50484 1 570 . 1 . 1 47 47 GLU CA C 13 57.758 0.230 . 1 . . . . . 47 GLU CA . 50484 1 571 . 1 . 1 47 47 GLU CB C 13 30.659 0.889 . 1 . . . . . 47 GLU CB . 50484 1 572 . 1 . 1 47 47 GLU CG C 13 36.719 0.129 . 1 . . . . . 47 GLU CG . 50484 1 573 . 1 . 1 47 47 GLU N N 15 119.244 0.025 . 1 . . . . . 47 GLU N . 50484 1 574 . 1 . 1 48 48 LYS H H 1 7.175 0.001 . 1 . . . . . 48 LYS H . 50484 1 575 . 1 . 1 48 48 LYS HA H 1 4.015 0.031 . 1 . . . . . 48 LYS HA . 50484 1 576 . 1 . 1 48 48 LYS HB2 H 1 1.552 0.005 . 2 . . . . . 48 LYS HB2 . 50484 1 577 . 1 . 1 48 48 LYS HB3 H 1 1.622 0.014 . 2 . . . . . 48 LYS HB3 . 50484 1 578 . 1 . 1 48 48 LYS HG2 H 1 1.119 0.001 . 2 . . . . . 48 LYS HG2 . 50484 1 579 . 1 . 1 48 48 LYS HG3 H 1 0.524 0.009 . 2 . . . . . 48 LYS HG3 . 50484 1 580 . 1 . 1 48 48 LYS HD2 H 1 1.472 0.079 . 2 . . . . . 48 LYS HD2 . 50484 1 581 . 1 . 1 48 48 LYS HD3 H 1 1.371 0.188 . 2 . . . . . 48 LYS HD3 . 50484 1 582 . 1 . 1 48 48 LYS HE2 H 1 2.784 0.015 . 2 . . . . . 48 LYS HE2 . 50484 1 583 . 1 . 1 48 48 LYS HE3 H 1 2.726 0.007 . 2 . . . . . 48 LYS HE3 . 50484 1 584 . 1 . 1 48 48 LYS C C 13 176.695 0.000 . 1 . . . . . 48 LYS C . 50484 1 585 . 1 . 1 48 48 LYS CA C 13 58.360 0.226 . 1 . . . . . 48 LYS CA . 50484 1 586 . 1 . 1 48 48 LYS CB C 13 34.729 0.124 . 1 . . . . . 48 LYS CB . 50484 1 587 . 1 . 1 48 48 LYS CG C 13 25.166 0.087 . 1 . . . . . 48 LYS CG . 50484 1 588 . 1 . 1 48 48 LYS CD C 13 30.330 0.146 . 1 . . . . . 48 LYS CD . 50484 1 589 . 1 . 1 48 48 LYS CE C 13 41.953 0.132 . 1 . . . . . 48 LYS CE . 50484 1 590 . 1 . 1 48 48 LYS N N 15 120.015 0.019 . 1 . . . . . 48 LYS N . 50484 1 591 . 1 . 1 49 49 TYR H H 1 8.078 0.002 . 1 . . . . . 49 TYR H . 50484 1 592 . 1 . 1 49 49 TYR HA H 1 4.813 0.017 . 1 . . . . . 49 TYR HA . 50484 1 593 . 1 . 1 49 49 TYR HB2 H 1 3.053 0.007 . 2 . . . . . 49 TYR HB2 . 50484 1 594 . 1 . 1 49 49 TYR HB3 H 1 3.020 0.004 . 2 . . . . . 49 TYR HB3 . 50484 1 595 . 1 . 1 49 49 TYR HD1 H 1 7.317 0.001 . 1 . . . . . 49 TYR HD1 . 50484 1 596 . 1 . 1 49 49 TYR HD2 H 1 7.317 0.001 . 1 . . . . . 49 TYR HD2 . 50484 1 597 . 1 . 1 49 49 TYR HE1 H 1 6.882 0.000 . 1 . . . . . 49 TYR HE1 . 50484 1 598 . 1 . 1 49 49 TYR HE2 H 1 6.882 0.000 . 1 . . . . . 49 TYR HE2 . 50484 1 599 . 1 . 1 49 49 TYR HH H 1 7.311 0.000 . 1 . . . . . 49 TYR HH . 50484 1 600 . 1 . 1 49 49 TYR C C 13 175.943 0.008 . 1 . . . . . 49 TYR C . 50484 1 601 . 1 . 1 49 49 TYR CA C 13 57.285 0.133 . 1 . . . . . 49 TYR CA . 50484 1 602 . 1 . 1 49 49 TYR CB C 13 37.681 0.070 . 1 . . . . . 49 TYR CB . 50484 1 603 . 1 . 1 49 49 TYR CD1 C 13 133.596 0.000 . 1 . . . . . 49 TYR CD1 . 50484 1 604 . 1 . 1 49 49 TYR CD2 C 13 133.596 0.000 . 1 . . . . . 49 TYR CD2 . 50484 1 605 . 1 . 1 49 49 TYR CE1 C 13 118.108 0.009 . 1 . . . . . 49 TYR CE1 . 50484 1 606 . 1 . 1 49 49 TYR CE2 C 13 118.108 0.009 . 1 . . . . . 49 TYR CE2 . 50484 1 607 . 1 . 1 49 49 TYR N N 15 119.484 0.036 . 1 . . . . . 49 TYR N . 50484 1 608 . 1 . 1 50 50 SER H H 1 7.841 0.032 . 1 . . . . . 50 SER H . 50484 1 609 . 1 . 1 50 50 SER HA H 1 4.443 0.041 . 1 . . . . . 50 SER HA . 50484 1 610 . 1 . 1 50 50 SER HB2 H 1 3.918 0.028 . 2 . . . . . 50 SER HB2 . 50484 1 611 . 1 . 1 50 50 SER HB3 H 1 4.037 0.003 . 2 . . . . . 50 SER HB3 . 50484 1 612 . 1 . 1 50 50 SER C C 13 174.851 0.000 . 1 . . . . . 50 SER C . 50484 1 613 . 1 . 1 50 50 SER CA C 13 60.790 0.229 . 1 . . . . . 50 SER CA . 50484 1 614 . 1 . 1 50 50 SER CB C 13 63.537 0.245 . 1 . . . . . 50 SER CB . 50484 1 615 . 1 . 1 50 50 SER N N 15 115.782 0.130 . 1 . . . . . 50 SER N . 50484 1 616 . 1 . 1 51 51 ASN H H 1 9.173 0.006 . 1 . . . . . 51 ASN H . 50484 1 617 . 1 . 1 51 51 ASN HA H 1 4.835 0.012 . 1 . . . . . 51 ASN HA . 50484 1 618 . 1 . 1 51 51 ASN HB2 H 1 2.987 0.015 . 2 . . . . . 51 ASN HB2 . 50484 1 619 . 1 . 1 51 51 ASN HB3 H 1 2.928 0.005 . 2 . . . . . 51 ASN HB3 . 50484 1 620 . 1 . 1 51 51 ASN HD21 H 1 7.660 0.003 . 1 . . . . . 51 ASN HD21 . 50484 1 621 . 1 . 1 51 51 ASN HD22 H 1 6.860 0.000 . 1 . . . . . 51 ASN HD22 . 50484 1 622 . 1 . 1 51 51 ASN C C 13 172.443 0.000 . 1 . . . . . 51 ASN C . 50484 1 623 . 1 . 1 51 51 ASN CA C 13 53.407 0.290 . 1 . . . . . 51 ASN CA . 50484 1 624 . 1 . 1 51 51 ASN CB C 13 38.092 0.061 . 1 . . . . . 51 ASN CB . 50484 1 625 . 1 . 1 51 51 ASN N N 15 119.088 0.025 . 1 . . . . . 51 ASN N . 50484 1 626 . 1 . 1 51 51 ASN ND2 N 15 113.308 0.033 . 1 . . . . . 51 ASN ND2 . 50484 1 627 . 1 . 1 52 52 VAL H H 1 7.554 0.006 . 1 . . . . . 52 VAL H . 50484 1 628 . 1 . 1 52 52 VAL HA H 1 4.435 0.037 . 1 . . . . . 52 VAL HA . 50484 1 629 . 1 . 1 52 52 VAL HB H 1 2.110 0.010 . 1 . . . . . 52 VAL HB . 50484 1 630 . 1 . 1 52 52 VAL HG11 H 1 0.229 0.002 . 2 . . . . . 52 VAL HG11 . 50484 1 631 . 1 . 1 52 52 VAL HG12 H 1 0.229 0.002 . 2 . . . . . 52 VAL HG12 . 50484 1 632 . 1 . 1 52 52 VAL HG13 H 1 0.229 0.002 . 2 . . . . . 52 VAL HG13 . 50484 1 633 . 1 . 1 52 52 VAL HG21 H 1 0.881 0.003 . 2 . . . . . 52 VAL HG21 . 50484 1 634 . 1 . 1 52 52 VAL HG22 H 1 0.881 0.003 . 2 . . . . . 52 VAL HG22 . 50484 1 635 . 1 . 1 52 52 VAL HG23 H 1 0.881 0.003 . 2 . . . . . 52 VAL HG23 . 50484 1 636 . 1 . 1 52 52 VAL C C 13 174.037 0.000 . 1 . . . . . 52 VAL C . 50484 1 637 . 1 . 1 52 52 VAL CA C 13 61.055 0.287 . 1 . . . . . 52 VAL CA . 50484 1 638 . 1 . 1 52 52 VAL CB C 13 35.066 0.138 . 1 . . . . . 52 VAL CB . 50484 1 639 . 1 . 1 52 52 VAL CG1 C 13 23.015 0.000 . 2 . . . . . 52 VAL CG1 . 50484 1 640 . 1 . 1 52 52 VAL CG2 C 13 23.723 0.000 . 2 . . . . . 52 VAL CG2 . 50484 1 641 . 1 . 1 52 52 VAL N N 15 121.903 0.084 . 1 . . . . . 52 VAL N . 50484 1 642 . 1 . 1 53 53 ILE H H 1 8.825 0.002 . 1 . . . . . 53 ILE H . 50484 1 643 . 1 . 1 53 53 ILE HA H 1 4.335 0.030 . 1 . . . . . 53 ILE HA . 50484 1 644 . 1 . 1 53 53 ILE HB H 1 1.895 0.005 . 1 . . . . . 53 ILE HB . 50484 1 645 . 1 . 1 53 53 ILE HG12 H 1 1.265 0.005 . 2 . . . . . 53 ILE HG12 . 50484 1 646 . 1 . 1 53 53 ILE HG13 H 1 1.424 0.003 . 2 . . . . . 53 ILE HG13 . 50484 1 647 . 1 . 1 53 53 ILE HG21 H 1 0.862 0.005 . 1 . . . . . 53 ILE HG21 . 50484 1 648 . 1 . 1 53 53 ILE HG22 H 1 0.862 0.005 . 1 . . . . . 53 ILE HG22 . 50484 1 649 . 1 . 1 53 53 ILE HG23 H 1 0.862 0.005 . 1 . . . . . 53 ILE HG23 . 50484 1 650 . 1 . 1 53 53 ILE HD11 H 1 0.861 0.005 . 1 . . . . . 53 ILE HD11 . 50484 1 651 . 1 . 1 53 53 ILE HD12 H 1 0.861 0.005 . 1 . . . . . 53 ILE HD12 . 50484 1 652 . 1 . 1 53 53 ILE HD13 H 1 0.861 0.005 . 1 . . . . . 53 ILE HD13 . 50484 1 653 . 1 . 1 53 53 ILE C C 13 173.747 0.000 . 1 . . . . . 53 ILE C . 50484 1 654 . 1 . 1 53 53 ILE CA C 13 60.455 0.257 . 1 . . . . . 53 ILE CA . 50484 1 655 . 1 . 1 53 53 ILE CB C 13 38.894 0.216 . 1 . . . . . 53 ILE CB . 50484 1 656 . 1 . 1 53 53 ILE CG1 C 13 28.183 0.153 . 1 . . . . . 53 ILE CG1 . 50484 1 657 . 1 . 1 53 53 ILE CG2 C 13 17.733 0.118 . 1 . . . . . 53 ILE CG2 . 50484 1 658 . 1 . 1 53 53 ILE CD1 C 13 13.328 0.047 . 1 . . . . . 53 ILE CD1 . 50484 1 659 . 1 . 1 53 53 ILE N N 15 128.402 0.013 . 1 . . . . . 53 ILE N . 50484 1 660 . 1 . 1 54 54 PHE H H 1 8.656 0.008 . 1 . . . . . 54 PHE H . 50484 1 661 . 1 . 1 54 54 PHE HA H 1 5.215 0.023 . 1 . . . . . 54 PHE HA . 50484 1 662 . 1 . 1 54 54 PHE HB2 H 1 2.783 0.003 . 2 . . . . . 54 PHE HB2 . 50484 1 663 . 1 . 1 54 54 PHE HB3 H 1 2.399 0.002 . 2 . . . . . 54 PHE HB3 . 50484 1 664 . 1 . 1 54 54 PHE HD1 H 1 6.640 0.000 . 1 . . . . . 54 PHE HD1 . 50484 1 665 . 1 . 1 54 54 PHE HD2 H 1 6.640 0.000 . 1 . . . . . 54 PHE HD2 . 50484 1 666 . 1 . 1 54 54 PHE HE1 H 1 7.278 0.000 . 1 . . . . . 54 PHE HE1 . 50484 1 667 . 1 . 1 54 54 PHE HE2 H 1 7.278 0.000 . 1 . . . . . 54 PHE HE2 . 50484 1 668 . 1 . 1 54 54 PHE C C 13 174.865 0.000 . 1 . . . . . 54 PHE C . 50484 1 669 . 1 . 1 54 54 PHE CA C 13 57.023 0.196 . 1 . . . . . 54 PHE CA . 50484 1 670 . 1 . 1 54 54 PHE CB C 13 40.986 0.115 . 1 . . . . . 54 PHE CB . 50484 1 671 . 1 . 1 54 54 PHE CD1 C 13 132.765 0.000 . 1 . . . . . 54 PHE CD1 . 50484 1 672 . 1 . 1 54 54 PHE CD2 C 13 132.765 0.000 . 1 . . . . . 54 PHE CD2 . 50484 1 673 . 1 . 1 54 54 PHE N N 15 126.558 0.036 . 1 . . . . . 54 PHE N . 50484 1 674 . 1 . 1 55 55 LEU H H 1 9.425 0.002 . 1 . . . . . 55 LEU H . 50484 1 675 . 1 . 1 55 55 LEU HA H 1 5.440 0.030 . 1 . . . . . 55 LEU HA . 50484 1 676 . 1 . 1 55 55 LEU HB2 H 1 1.696 0.005 . 2 . . . . . 55 LEU HB2 . 50484 1 677 . 1 . 1 55 55 LEU HB3 H 1 1.283 0.003 . 2 . . . . . 55 LEU HB3 . 50484 1 678 . 1 . 1 55 55 LEU HG H 1 1.490 0.002 . 1 . . . . . 55 LEU HG . 50484 1 679 . 1 . 1 55 55 LEU HD11 H 1 0.546 0.006 . 2 . . . . . 55 LEU HD11 . 50484 1 680 . 1 . 1 55 55 LEU HD12 H 1 0.546 0.006 . 2 . . . . . 55 LEU HD12 . 50484 1 681 . 1 . 1 55 55 LEU HD13 H 1 0.546 0.006 . 2 . . . . . 55 LEU HD13 . 50484 1 682 . 1 . 1 55 55 LEU HD21 H 1 0.820 0.006 . 2 . . . . . 55 LEU HD21 . 50484 1 683 . 1 . 1 55 55 LEU HD22 H 1 0.820 0.006 . 2 . . . . . 55 LEU HD22 . 50484 1 684 . 1 . 1 55 55 LEU HD23 H 1 0.820 0.006 . 2 . . . . . 55 LEU HD23 . 50484 1 685 . 1 . 1 55 55 LEU C C 13 175.078 0.000 . 1 . . . . . 55 LEU C . 50484 1 686 . 1 . 1 55 55 LEU CA C 13 53.089 0.187 . 1 . . . . . 55 LEU CA . 50484 1 687 . 1 . 1 55 55 LEU CB C 13 46.061 0.111 . 1 . . . . . 55 LEU CB . 50484 1 688 . 1 . 1 55 55 LEU CG C 13 25.958 0.137 . 1 . . . . . 55 LEU CG . 50484 1 689 . 1 . 1 55 55 LEU CD1 C 13 24.100 0.032 . 1 . . . . . 55 LEU CD1 . 50484 1 690 . 1 . 1 55 55 LEU CD2 C 13 24.100 0.032 . 1 . . . . . 55 LEU CD2 . 50484 1 691 . 1 . 1 55 55 LEU N N 15 122.941 0.033 . 1 . . . . . 55 LEU N . 50484 1 692 . 1 . 1 56 56 GLU H H 1 8.525 0.004 . 1 . . . . . 56 GLU H . 50484 1 693 . 1 . 1 56 56 GLU HA H 1 4.969 0.022 . 1 . . . . . 56 GLU HA . 50484 1 694 . 1 . 1 56 56 GLU HB2 H 1 1.835 0.002 . 2 . . . . . 56 GLU HB2 . 50484 1 695 . 1 . 1 56 56 GLU HB3 H 1 1.791 0.017 . 2 . . . . . 56 GLU HB3 . 50484 1 696 . 1 . 1 56 56 GLU HG2 H 1 1.977 0.001 . 2 . . . . . 56 GLU HG2 . 50484 1 697 . 1 . 1 56 56 GLU HG3 H 1 2.141 0.007 . 2 . . . . . 56 GLU HG3 . 50484 1 698 . 1 . 1 56 56 GLU C C 13 173.601 0.000 . 1 . . . . . 56 GLU C . 50484 1 699 . 1 . 1 56 56 GLU CA C 13 55.356 0.170 . 1 . . . . . 56 GLU CA . 50484 1 700 . 1 . 1 56 56 GLU CB C 13 33.936 0.108 . 1 . . . . . 56 GLU CB . 50484 1 701 . 1 . 1 56 56 GLU CG C 13 36.978 0.126 . 1 . . . . . 56 GLU CG . 50484 1 702 . 1 . 1 56 56 GLU N N 15 122.083 0.013 . 1 . . . . . 56 GLU N . 50484 1 703 . 1 . 1 57 57 VAL H H 1 8.466 0.006 . 1 . . . . . 57 VAL H . 50484 1 704 . 1 . 1 57 57 VAL HA H 1 3.860 0.029 . 1 . . . . . 57 VAL HA . 50484 1 705 . 1 . 1 57 57 VAL HB H 1 1.058 0.005 . 1 . . . . . 57 VAL HB . 50484 1 706 . 1 . 1 57 57 VAL HG11 H 1 0.030 0.006 . 2 . . . . . 57 VAL HG11 . 50484 1 707 . 1 . 1 57 57 VAL HG12 H 1 0.030 0.006 . 2 . . . . . 57 VAL HG12 . 50484 1 708 . 1 . 1 57 57 VAL HG13 H 1 0.030 0.006 . 2 . . . . . 57 VAL HG13 . 50484 1 709 . 1 . 1 57 57 VAL HG21 H 1 0.283 0.003 . 2 . . . . . 57 VAL HG21 . 50484 1 710 . 1 . 1 57 57 VAL HG22 H 1 0.283 0.003 . 2 . . . . . 57 VAL HG22 . 50484 1 711 . 1 . 1 57 57 VAL HG23 H 1 0.283 0.003 . 2 . . . . . 57 VAL HG23 . 50484 1 712 . 1 . 1 57 57 VAL C C 13 173.238 0.000 . 1 . . . . . 57 VAL C . 50484 1 713 . 1 . 1 57 57 VAL CA C 13 60.873 0.248 . 1 . . . . . 57 VAL CA . 50484 1 714 . 1 . 1 57 57 VAL CB C 13 34.768 0.180 . 1 . . . . . 57 VAL CB . 50484 1 715 . 1 . 1 57 57 VAL CG1 C 13 21.452 0.177 . 1 . . . . . 57 VAL CG1 . 50484 1 716 . 1 . 1 57 57 VAL CG2 C 13 20.603 0.002 . 1 . . . . . 57 VAL CG2 . 50484 1 717 . 1 . 1 57 57 VAL N N 15 126.017 0.043 . 1 . . . . . 57 VAL N . 50484 1 718 . 1 . 1 58 58 ASP H H 1 9.025 0.002 . 1 . . . . . 58 ASP H . 50484 1 719 . 1 . 1 58 58 ASP HA H 1 4.897 0.018 . 1 . . . . . 58 ASP HA . 50484 1 720 . 1 . 1 58 58 ASP HB2 H 1 2.864 0.010 . 2 . . . . . 58 ASP HB2 . 50484 1 721 . 1 . 1 58 58 ASP HB3 H 1 2.339 0.004 . 2 . . . . . 58 ASP HB3 . 50484 1 722 . 1 . 1 58 58 ASP C C 13 178.149 0.000 . 1 . . . . . 58 ASP C . 50484 1 723 . 1 . 1 58 58 ASP CA C 13 53.611 0.118 . 1 . . . . . 58 ASP CA . 50484 1 724 . 1 . 1 58 58 ASP CB C 13 43.044 0.155 . 1 . . . . . 58 ASP CB . 50484 1 725 . 1 . 1 58 58 ASP N N 15 129.194 0.037 . 1 . . . . . 58 ASP N . 50484 1 726 . 1 . 1 59 59 VAL H H 1 8.787 0.003 . 1 . . . . . 59 VAL H . 50484 1 727 . 1 . 1 59 59 VAL HA H 1 3.597 0.030 . 1 . . . . . 59 VAL HA . 50484 1 728 . 1 . 1 59 59 VAL HB H 1 2.157 0.002 . 1 . . . . . 59 VAL HB . 50484 1 729 . 1 . 1 59 59 VAL HG11 H 1 1.030 0.001 . 2 . . . . . 59 VAL HG11 . 50484 1 730 . 1 . 1 59 59 VAL HG12 H 1 1.030 0.001 . 2 . . . . . 59 VAL HG12 . 50484 1 731 . 1 . 1 59 59 VAL HG13 H 1 1.030 0.001 . 2 . . . . . 59 VAL HG13 . 50484 1 732 . 1 . 1 59 59 VAL HG21 H 1 0.944 0.006 . 2 . . . . . 59 VAL HG21 . 50484 1 733 . 1 . 1 59 59 VAL HG22 H 1 0.944 0.006 . 2 . . . . . 59 VAL HG22 . 50484 1 734 . 1 . 1 59 59 VAL HG23 H 1 0.944 0.006 . 2 . . . . . 59 VAL HG23 . 50484 1 735 . 1 . 1 59 59 VAL C C 13 176.065 0.000 . 1 . . . . . 59 VAL C . 50484 1 736 . 1 . 1 59 59 VAL CA C 13 65.225 0.250 . 1 . . . . . 59 VAL CA . 50484 1 737 . 1 . 1 59 59 VAL CB C 13 31.442 0.136 . 1 . . . . . 59 VAL CB . 50484 1 738 . 1 . 1 59 59 VAL CG1 C 13 18.156 0.000 . 1 . . . . . 59 VAL CG1 . 50484 1 739 . 1 . 1 59 59 VAL CG2 C 13 18.096 0.133 . 1 . . . . . 59 VAL CG2 . 50484 1 740 . 1 . 1 59 59 VAL N N 15 120.763 0.026 . 1 . . . . . 59 VAL N . 50484 1 741 . 1 . 1 60 60 ASP H H 1 8.250 0.002 . 1 . . . . . 60 ASP H . 50484 1 742 . 1 . 1 60 60 ASP HA H 1 4.781 0.003 . 1 . . . . . 60 ASP HA . 50484 1 743 . 1 . 1 60 60 ASP HB2 H 1 2.921 0.011 . 2 . . . . . 60 ASP HB2 . 50484 1 744 . 1 . 1 60 60 ASP HB3 H 1 2.731 0.003 . 2 . . . . . 60 ASP HB3 . 50484 1 745 . 1 . 1 60 60 ASP C C 13 178.207 0.000 . 1 . . . . . 60 ASP C . 50484 1 746 . 1 . 1 60 60 ASP CA C 13 57.107 0.029 . 1 . . . . . 60 ASP CA . 50484 1 747 . 1 . 1 60 60 ASP CB C 13 41.330 0.034 . 1 . . . . . 60 ASP CB . 50484 1 748 . 1 . 1 60 60 ASP N N 15 120.623 0.019 . 1 . . . . . 60 ASP N . 50484 1 749 . 1 . 1 61 61 ASP H H 1 8.520 0.002 . 1 . . . . . 61 ASP H . 50484 1 750 . 1 . 1 61 61 ASP HA H 1 4.568 0.020 . 1 . . . . . 61 ASP HA . 50484 1 751 . 1 . 1 61 61 ASP HB2 H 1 2.710 0.001 . 2 . . . . . 61 ASP HB2 . 50484 1 752 . 1 . 1 61 61 ASP HB3 H 1 2.947 0.005 . 2 . . . . . 61 ASP HB3 . 50484 1 753 . 1 . 1 61 61 ASP C C 13 177.094 0.000 . 1 . . . . . 61 ASP C . 50484 1 754 . 1 . 1 61 61 ASP CA C 13 57.206 0.119 . 1 . . . . . 61 ASP CA . 50484 1 755 . 1 . 1 61 61 ASP CB C 13 41.427 0.243 . 1 . . . . . 61 ASP CB . 50484 1 756 . 1 . 1 61 61 ASP N N 15 121.263 0.017 . 1 . . . . . 61 ASP N . 50484 1 757 . 1 . 1 62 62 CYS H H 1 7.928 0.003 . 1 . . . . . 62 CYS H . 50484 1 758 . 1 . 1 62 62 CYS HA H 1 4.719 0.002 . 1 . . . . . 62 CYS HA . 50484 1 759 . 1 . 1 62 62 CYS HB2 H 1 3.321 0.005 . 2 . . . . . 62 CYS HB2 . 50484 1 760 . 1 . 1 62 62 CYS HB3 H 1 3.701 0.006 . 2 . . . . . 62 CYS HB3 . 50484 1 761 . 1 . 1 62 62 CYS C C 13 174.512 0.000 . 1 . . . . . 62 CYS C . 50484 1 762 . 1 . 1 62 62 CYS CA C 13 52.750 0.063 . 1 . . . . . 62 CYS CA . 50484 1 763 . 1 . 1 62 62 CYS CB C 13 35.562 0.088 . 1 . . . . . 62 CYS CB . 50484 1 764 . 1 . 1 62 62 CYS N N 15 119.711 0.035 . 1 . . . . . 62 CYS N . 50484 1 765 . 1 . 1 63 63 GLN H H 1 8.117 0.004 . 1 . . . . . 63 GLN H . 50484 1 766 . 1 . 1 63 63 GLN HA H 1 4.146 0.031 . 1 . . . . . 63 GLN HA . 50484 1 767 . 1 . 1 63 63 GLN HB2 H 1 2.156 0.002 . 1 . . . . . 63 GLN HB2 . 50484 1 768 . 1 . 1 63 63 GLN HB3 H 1 2.155 0.002 . 1 . . . . . 63 GLN HB3 . 50484 1 769 . 1 . 1 63 63 GLN HG2 H 1 2.580 0.006 . 2 . . . . . 63 GLN HG2 . 50484 1 770 . 1 . 1 63 63 GLN HG3 H 1 2.581 0.006 . 2 . . . . . 63 GLN HG3 . 50484 1 771 . 1 . 1 63 63 GLN C C 13 178.210 0.000 . 1 . . . . . 63 GLN C . 50484 1 772 . 1 . 1 63 63 GLN CA C 13 59.882 0.239 . 1 . . . . . 63 GLN CA . 50484 1 773 . 1 . 1 63 63 GLN CB C 13 29.063 0.211 . 1 . . . . . 63 GLN CB . 50484 1 774 . 1 . 1 63 63 GLN CG C 13 34.378 0.205 . 1 . . . . . 63 GLN CG . 50484 1 775 . 1 . 1 63 63 GLN N N 15 122.367 0.014 . 1 . . . . . 63 GLN N . 50484 1 776 . 1 . 1 64 64 ASP H H 1 8.962 0.002 . 1 . . . . . 64 ASP H . 50484 1 777 . 1 . 1 64 64 ASP HA H 1 4.359 0.026 . 1 . . . . . 64 ASP HA . 50484 1 778 . 1 . 1 64 64 ASP HB2 H 1 2.852 0.004 . 2 . . . . . 64 ASP HB2 . 50484 1 779 . 1 . 1 64 64 ASP HB3 H 1 2.705 0.004 . 2 . . . . . 64 ASP HB3 . 50484 1 780 . 1 . 1 64 64 ASP C C 13 178.191 0.000 . 1 . . . . . 64 ASP C . 50484 1 781 . 1 . 1 64 64 ASP CA C 13 56.867 0.211 . 1 . . . . . 64 ASP CA . 50484 1 782 . 1 . 1 64 64 ASP CB C 13 38.971 0.094 . 1 . . . . . 64 ASP CB . 50484 1 783 . 1 . 1 64 64 ASP N N 15 119.158 0.023 . 1 . . . . . 64 ASP N . 50484 1 784 . 1 . 1 65 65 VAL H H 1 7.999 0.002 . 1 . . . . . 65 VAL H . 50484 1 785 . 1 . 1 65 65 VAL HA H 1 3.677 0.036 . 1 . . . . . 65 VAL HA . 50484 1 786 . 1 . 1 65 65 VAL HB H 1 2.010 0.004 . 1 . . . . . 65 VAL HB . 50484 1 787 . 1 . 1 65 65 VAL HG11 H 1 0.427 0.005 . 2 . . . . . 65 VAL HG11 . 50484 1 788 . 1 . 1 65 65 VAL HG12 H 1 0.427 0.005 . 2 . . . . . 65 VAL HG12 . 50484 1 789 . 1 . 1 65 65 VAL HG13 H 1 0.427 0.005 . 2 . . . . . 65 VAL HG13 . 50484 1 790 . 1 . 1 65 65 VAL HG21 H 1 1.086 0.004 . 2 . . . . . 65 VAL HG21 . 50484 1 791 . 1 . 1 65 65 VAL HG22 H 1 1.086 0.004 . 2 . . . . . 65 VAL HG22 . 50484 1 792 . 1 . 1 65 65 VAL HG23 H 1 1.086 0.004 . 2 . . . . . 65 VAL HG23 . 50484 1 793 . 1 . 1 65 65 VAL C C 13 178.761 0.000 . 1 . . . . . 65 VAL C . 50484 1 794 . 1 . 1 65 65 VAL CA C 13 66.015 0.250 . 1 . . . . . 65 VAL CA . 50484 1 795 . 1 . 1 65 65 VAL CB C 13 32.705 0.167 . 1 . . . . . 65 VAL CB . 50484 1 796 . 1 . 1 65 65 VAL CG1 C 13 21.210 0.000 . 1 . . . . . 65 VAL CG1 . 50484 1 797 . 1 . 1 65 65 VAL CG2 C 13 21.210 0.000 . 1 . . . . . 65 VAL CG2 . 50484 1 798 . 1 . 1 65 65 VAL N N 15 122.424 0.013 . 1 . . . . . 65 VAL N . 50484 1 799 . 1 . 1 66 66 ALA H H 1 8.311 0.003 . 1 . . . . . 66 ALA H . 50484 1 800 . 1 . 1 66 66 ALA HA H 1 3.681 0.028 . 1 . . . . . 66 ALA HA . 50484 1 801 . 1 . 1 66 66 ALA HB1 H 1 1.412 0.004 . 1 . . . . . 66 ALA HB1 . 50484 1 802 . 1 . 1 66 66 ALA HB2 H 1 1.412 0.004 . 1 . . . . . 66 ALA HB2 . 50484 1 803 . 1 . 1 66 66 ALA HB3 H 1 1.412 0.004 . 1 . . . . . 66 ALA HB3 . 50484 1 804 . 1 . 1 66 66 ALA C C 13 178.456 0.000 . 1 . . . . . 66 ALA C . 50484 1 805 . 1 . 1 66 66 ALA CA C 13 56.040 0.216 . 1 . . . . . 66 ALA CA . 50484 1 806 . 1 . 1 66 66 ALA CB C 13 18.813 0.153 . 1 . . . . . 66 ALA CB . 50484 1 807 . 1 . 1 66 66 ALA N N 15 122.527 0.014 . 1 . . . . . 66 ALA N . 50484 1 808 . 1 . 1 67 67 SER H H 1 8.323 0.002 . 1 . . . . . 67 SER H . 50484 1 809 . 1 . 1 67 67 SER HA H 1 4.285 0.008 . 1 . . . . . 67 SER HA . 50484 1 810 . 1 . 1 67 67 SER HB2 H 1 4.040 0.008 . 2 . . . . . 67 SER HB2 . 50484 1 811 . 1 . 1 67 67 SER HB3 H 1 4.057 0.013 . 2 . . . . . 67 SER HB3 . 50484 1 812 . 1 . 1 67 67 SER C C 13 179.259 0.000 . 1 . . . . . 67 SER C . 50484 1 813 . 1 . 1 67 67 SER CA C 13 61.672 0.105 . 1 . . . . . 67 SER CA . 50484 1 814 . 1 . 1 67 67 SER CB C 13 63.193 0.089 . 1 . . . . . 67 SER CB . 50484 1 815 . 1 . 1 67 67 SER N N 15 113.223 0.014 . 1 . . . . . 67 SER N . 50484 1 816 . 1 . 1 68 68 GLU H H 1 8.368 0.003 . 1 . . . . . 68 GLU H . 50484 1 817 . 1 . 1 68 68 GLU HA H 1 4.097 0.031 . 1 . . . . . 68 GLU HA . 50484 1 818 . 1 . 1 68 68 GLU HB2 H 1 2.137 0.018 . 2 . . . . . 68 GLU HB2 . 50484 1 819 . 1 . 1 68 68 GLU HB3 H 1 2.113 0.008 . 2 . . . . . 68 GLU HB3 . 50484 1 820 . 1 . 1 68 68 GLU HG2 H 1 2.381 0.042 . 2 . . . . . 68 GLU HG2 . 50484 1 821 . 1 . 1 68 68 GLU HG3 H 1 2.319 0.107 . 2 . . . . . 68 GLU HG3 . 50484 1 822 . 1 . 1 68 68 GLU C C 13 178.449 0.000 . 1 . . . . . 68 GLU C . 50484 1 823 . 1 . 1 68 68 GLU CA C 13 59.589 0.191 . 1 . . . . . 68 GLU CA . 50484 1 824 . 1 . 1 68 68 GLU CB C 13 29.843 0.130 . 1 . . . . . 68 GLU CB . 50484 1 825 . 1 . 1 68 68 GLU CG C 13 37.259 0.193 . 1 . . . . . 68 GLU CG . 50484 1 826 . 1 . 1 68 68 GLU N N 15 124.065 0.018 . 1 . . . . . 68 GLU N . 50484 1 827 . 1 . 1 69 69 SER H H 1 7.746 0.001 . 1 . . . . . 69 SER H . 50484 1 828 . 1 . 1 69 69 SER HA H 1 4.542 0.019 . 1 . . . . . 69 SER HA . 50484 1 829 . 1 . 1 69 69 SER HB2 H 1 3.500 0.003 . 2 . . . . . 69 SER HB2 . 50484 1 830 . 1 . 1 69 69 SER HB3 H 1 3.898 0.003 . 2 . . . . . 69 SER HB3 . 50484 1 831 . 1 . 1 69 69 SER C C 13 172.658 0.000 . 1 . . . . . 69 SER C . 50484 1 832 . 1 . 1 69 69 SER CA C 13 59.810 0.137 . 1 . . . . . 69 SER CA . 50484 1 833 . 1 . 1 69 69 SER CB C 13 64.041 0.179 . 1 . . . . . 69 SER CB . 50484 1 834 . 1 . 1 69 69 SER N N 15 113.907 0.014 . 1 . . . . . 69 SER N . 50484 1 835 . 1 . 1 70 70 GLU H H 1 7.769 0.002 . 1 . . . . . 70 GLU H . 50484 1 836 . 1 . 1 70 70 GLU HA H 1 3.785 0.027 . 1 . . . . . 70 GLU HA . 50484 1 837 . 1 . 1 70 70 GLU HB2 H 1 2.068 0.005 . 2 . . . . . 70 GLU HB2 . 50484 1 838 . 1 . 1 70 70 GLU HB3 H 1 2.122 0.005 . 2 . . . . . 70 GLU HB3 . 50484 1 839 . 1 . 1 70 70 GLU HG2 H 1 2.062 0.003 . 2 . . . . . 70 GLU HG2 . 50484 1 840 . 1 . 1 70 70 GLU HG3 H 1 2.129 0.005 . 2 . . . . . 70 GLU HG3 . 50484 1 841 . 1 . 1 70 70 GLU C C 13 175.148 0.000 . 1 . . . . . 70 GLU C . 50484 1 842 . 1 . 1 70 70 GLU CA C 13 57.216 0.198 . 1 . . . . . 70 GLU CA . 50484 1 843 . 1 . 1 70 70 GLU CB C 13 27.364 0.121 . 1 . . . . . 70 GLU CB . 50484 1 844 . 1 . 1 70 70 GLU CG C 13 37.245 0.113 . 1 . . . . . 70 GLU CG . 50484 1 845 . 1 . 1 70 70 GLU N N 15 117.051 0.025 . 1 . . . . . 70 GLU N . 50484 1 846 . 1 . 1 71 71 VAL H H 1 7.473 0.002 . 1 . . . . . 71 VAL H . 50484 1 847 . 1 . 1 71 71 VAL HA H 1 3.590 0.029 . 1 . . . . . 71 VAL HA . 50484 1 848 . 1 . 1 71 71 VAL HB H 1 1.479 0.008 . 1 . . . . . 71 VAL HB . 50484 1 849 . 1 . 1 71 71 VAL HG11 H 1 -0.106 0.004 . 2 . . . . . 71 VAL HG11 . 50484 1 850 . 1 . 1 71 71 VAL HG12 H 1 -0.106 0.004 . 2 . . . . . 71 VAL HG12 . 50484 1 851 . 1 . 1 71 71 VAL HG13 H 1 -0.106 0.004 . 2 . . . . . 71 VAL HG13 . 50484 1 852 . 1 . 1 71 71 VAL HG21 H 1 0.530 0.004 . 2 . . . . . 71 VAL HG21 . 50484 1 853 . 1 . 1 71 71 VAL HG22 H 1 0.530 0.004 . 2 . . . . . 71 VAL HG22 . 50484 1 854 . 1 . 1 71 71 VAL HG23 H 1 0.530 0.004 . 2 . . . . . 71 VAL HG23 . 50484 1 855 . 1 . 1 71 71 VAL C C 13 176.463 0.000 . 1 . . . . . 71 VAL C . 50484 1 856 . 1 . 1 71 71 VAL CA C 13 64.003 0.208 . 1 . . . . . 71 VAL CA . 50484 1 857 . 1 . 1 71 71 VAL CB C 13 31.684 0.211 . 1 . . . . . 71 VAL CB . 50484 1 858 . 1 . 1 71 71 VAL CG1 C 13 21.661 0.209 . 1 . . . . . 71 VAL CG1 . 50484 1 859 . 1 . 1 71 71 VAL CG2 C 13 21.159 0.122 . 1 . . . . . 71 VAL CG2 . 50484 1 860 . 1 . 1 71 71 VAL N N 15 118.749 0.020 . 1 . . . . . 71 VAL N . 50484 1 861 . 1 . 1 72 72 LYS H H 1 8.783 0.002 . 1 . . . . . 72 LYS H . 50484 1 862 . 1 . 1 72 72 LYS HA H 1 4.446 0.031 . 1 . . . . . 72 LYS HA . 50484 1 863 . 1 . 1 72 72 LYS HB2 H 1 1.897 0.002 . 2 . . . . . 72 LYS HB2 . 50484 1 864 . 1 . 1 72 72 LYS HB3 H 1 1.661 0.007 . 2 . . . . . 72 LYS HB3 . 50484 1 865 . 1 . 1 72 72 LYS HG2 H 1 1.341 0.001 . 2 . . . . . 72 LYS HG2 . 50484 1 866 . 1 . 1 72 72 LYS HG3 H 1 1.308 0.002 . 2 . . . . . 72 LYS HG3 . 50484 1 867 . 1 . 1 72 72 LYS HD2 H 1 1.600 0.018 . 2 . . . . . 72 LYS HD2 . 50484 1 868 . 1 . 1 72 72 LYS HD3 H 1 1.629 0.017 . 2 . . . . . 72 LYS HD3 . 50484 1 869 . 1 . 1 72 72 LYS HE2 H 1 2.929 0.001 . 2 . . . . . 72 LYS HE2 . 50484 1 870 . 1 . 1 72 72 LYS HE3 H 1 2.997 0.002 . 2 . . . . . 72 LYS HE3 . 50484 1 871 . 1 . 1 72 72 LYS C C 13 175.702 0.000 . 1 . . . . . 72 LYS C . 50484 1 872 . 1 . 1 72 72 LYS CA C 13 56.506 0.169 . 1 . . . . . 72 LYS CA . 50484 1 873 . 1 . 1 72 72 LYS CB C 13 35.126 0.103 . 1 . . . . . 72 LYS CB . 50484 1 874 . 1 . 1 72 72 LYS CG C 13 24.630 0.104 . 1 . . . . . 72 LYS CG . 50484 1 875 . 1 . 1 72 72 LYS CD C 13 28.904 0.107 . 1 . . . . . 72 LYS CD . 50484 1 876 . 1 . 1 72 72 LYS CE C 13 42.849 0.105 . 1 . . . . . 72 LYS CE . 50484 1 877 . 1 . 1 72 72 LYS N N 15 127.167 0.052 . 1 . . . . . 72 LYS N . 50484 1 878 . 1 . 1 73 73 SER H H 1 7.555 0.002 . 1 . . . . . 73 SER H . 50484 1 879 . 1 . 1 73 73 SER HA H 1 4.562 0.021 . 1 . . . . . 73 SER HA . 50484 1 880 . 1 . 1 73 73 SER HB2 H 1 3.719 0.004 . 2 . . . . . 73 SER HB2 . 50484 1 881 . 1 . 1 73 73 SER HB3 H 1 3.745 0.004 . 2 . . . . . 73 SER HB3 . 50484 1 882 . 1 . 1 73 73 SER C C 13 172.711 0.000 . 1 . . . . . 73 SER C . 50484 1 883 . 1 . 1 73 73 SER CA C 13 58.128 0.188 . 1 . . . . . 73 SER CA . 50484 1 884 . 1 . 1 73 73 SER CB C 13 64.947 0.159 . 1 . . . . . 73 SER CB . 50484 1 885 . 1 . 1 73 73 SER N N 15 114.594 0.026 . 1 . . . . . 73 SER N . 50484 1 886 . 1 . 1 74 74 MET H H 1 8.822 0.003 . 1 . . . . . 74 MET H . 50484 1 887 . 1 . 1 74 74 MET HA H 1 5.541 0.003 . 1 . . . . . 74 MET HA . 50484 1 888 . 1 . 1 74 74 MET CA C 13 53.034 0.094 . 1 . . . . . 74 MET CA . 50484 1 889 . 1 . 1 74 74 MET CB C 13 33.207 0.000 . 1 . . . . . 74 MET CB . 50484 1 890 . 1 . 1 74 74 MET N N 15 122.572 0.044 . 1 . . . . . 74 MET N . 50484 1 891 . 1 . 1 75 75 PRO HA H 1 5.047 0.028 . 1 . . . . . 75 PRO HA . 50484 1 892 . 1 . 1 75 75 PRO HB2 H 1 1.404 0.005 . 2 . . . . . 75 PRO HB2 . 50484 1 893 . 1 . 1 75 75 PRO HB3 H 1 2.108 0.002 . 2 . . . . . 75 PRO HB3 . 50484 1 894 . 1 . 1 75 75 PRO HG2 H 1 1.803 0.002 . 2 . . . . . 75 PRO HG2 . 50484 1 895 . 1 . 1 75 75 PRO HG3 H 1 1.654 0.004 . 2 . . . . . 75 PRO HG3 . 50484 1 896 . 1 . 1 75 75 PRO HD2 H 1 3.458 0.005 . 2 . . . . . 75 PRO HD2 . 50484 1 897 . 1 . 1 75 75 PRO HD3 H 1 3.125 0.006 . 2 . . . . . 75 PRO HD3 . 50484 1 898 . 1 . 1 75 75 PRO C C 13 176.412 0.000 . 1 . . . . . 75 PRO C . 50484 1 899 . 1 . 1 75 75 PRO CA C 13 63.346 0.271 . 1 . . . . . 75 PRO CA . 50484 1 900 . 1 . 1 75 75 PRO CB C 13 34.254 0.153 . 1 . . . . . 75 PRO CB . 50484 1 901 . 1 . 1 75 75 PRO CG C 13 25.123 0.155 . 1 . . . . . 75 PRO CG . 50484 1 902 . 1 . 1 75 75 PRO CD C 13 50.208 0.032 . 1 . . . . . 75 PRO CD . 50484 1 903 . 1 . 1 76 76 THR H H 1 8.125 0.003 . 1 . . . . . 76 THR H . 50484 1 904 . 1 . 1 76 76 THR HA H 1 4.579 0.020 . 1 . . . . . 76 THR HA . 50484 1 905 . 1 . 1 76 76 THR HB H 1 3.790 0.007 . 1 . . . . . 76 THR HB . 50484 1 906 . 1 . 1 76 76 THR HG21 H 1 1.126 0.004 . 1 . . . . . 76 THR HG21 . 50484 1 907 . 1 . 1 76 76 THR HG22 H 1 1.126 0.004 . 1 . . . . . 76 THR HG22 . 50484 1 908 . 1 . 1 76 76 THR HG23 H 1 1.126 0.004 . 1 . . . . . 76 THR HG23 . 50484 1 909 . 1 . 1 76 76 THR C C 13 170.462 0.000 . 1 . . . . . 76 THR C . 50484 1 910 . 1 . 1 76 76 THR CA C 13 63.505 0.160 . 1 . . . . . 76 THR CA . 50484 1 911 . 1 . 1 76 76 THR CB C 13 73.171 0.168 . 1 . . . . . 76 THR CB . 50484 1 912 . 1 . 1 76 76 THR CG2 C 13 21.537 0.078 . 1 . . . . . 76 THR CG2 . 50484 1 913 . 1 . 1 76 76 THR N N 15 117.238 0.022 . 1 . . . . . 76 THR N . 50484 1 914 . 1 . 1 77 77 PHE H H 1 8.936 0.002 . 1 . . . . . 77 PHE H . 50484 1 915 . 1 . 1 77 77 PHE HA H 1 5.702 0.024 . 1 . . . . . 77 PHE HA . 50484 1 916 . 1 . 1 77 77 PHE HB2 H 1 2.265 0.005 . 2 . . . . . 77 PHE HB2 . 50484 1 917 . 1 . 1 77 77 PHE HB3 H 1 2.127 0.005 . 2 . . . . . 77 PHE HB3 . 50484 1 918 . 1 . 1 77 77 PHE HD1 H 1 6.600 0.000 . 1 . . . . . 77 PHE HD1 . 50484 1 919 . 1 . 1 77 77 PHE HD2 H 1 6.600 0.000 . 1 . . . . . 77 PHE HD2 . 50484 1 920 . 1 . 1 77 77 PHE HE1 H 1 6.918 0.000 . 1 . . . . . 77 PHE HE1 . 50484 1 921 . 1 . 1 77 77 PHE HE2 H 1 6.918 0.000 . 1 . . . . . 77 PHE HE2 . 50484 1 922 . 1 . 1 77 77 PHE HZ H 1 7.393 0.001 . 1 . . . . . 77 PHE HZ . 50484 1 923 . 1 . 1 77 77 PHE C C 13 175.241 0.000 . 1 . . . . . 77 PHE C . 50484 1 924 . 1 . 1 77 77 PHE CA C 13 55.958 0.182 . 1 . . . . . 77 PHE CA . 50484 1 925 . 1 . 1 77 77 PHE CB C 13 41.333 0.137 . 1 . . . . . 77 PHE CB . 50484 1 926 . 1 . 1 77 77 PHE CD1 C 13 133.003 0.000 . 1 . . . . . 77 PHE CD1 . 50484 1 927 . 1 . 1 77 77 PHE CD2 C 13 133.003 0.000 . 1 . . . . . 77 PHE CD2 . 50484 1 928 . 1 . 1 77 77 PHE CZ C 13 131.633 0.000 . 1 . . . . . 77 PHE CZ . 50484 1 929 . 1 . 1 77 77 PHE N N 15 125.731 0.022 . 1 . . . . . 77 PHE N . 50484 1 930 . 1 . 1 78 78 GLN H H 1 8.763 0.003 . 1 . . . . . 78 GLN H . 50484 1 931 . 1 . 1 78 78 GLN HA H 1 5.015 0.027 . 1 . . . . . 78 GLN HA . 50484 1 932 . 1 . 1 78 78 GLN HB2 H 1 1.941 0.003 . 2 . . . . . 78 GLN HB2 . 50484 1 933 . 1 . 1 78 78 GLN HB3 H 1 2.181 0.002 . 2 . . . . . 78 GLN HB3 . 50484 1 934 . 1 . 1 78 78 GLN HG2 H 1 2.400 0.013 . 2 . . . . . 78 GLN HG2 . 50484 1 935 . 1 . 1 78 78 GLN HG3 H 1 2.404 0.006 . 2 . . . . . 78 GLN HG3 . 50484 1 936 . 1 . 1 78 78 GLN HE21 H 1 6.915 0.000 . 1 . . . . . 78 GLN HE21 . 50484 1 937 . 1 . 1 78 78 GLN HE22 H 1 6.577 0.000 . 1 . . . . . 78 GLN HE22 . 50484 1 938 . 1 . 1 78 78 GLN C C 13 173.088 0.000 . 1 . . . . . 78 GLN C . 50484 1 939 . 1 . 1 78 78 GLN CA C 13 54.709 0.218 . 1 . . . . . 78 GLN CA . 50484 1 940 . 1 . 1 78 78 GLN CB C 13 33.724 0.177 . 1 . . . . . 78 GLN CB . 50484 1 941 . 1 . 1 78 78 GLN CG C 13 35.088 0.155 . 1 . . . . . 78 GLN CG . 50484 1 942 . 1 . 1 78 78 GLN N N 15 119.347 0.020 . 1 . . . . . 78 GLN N . 50484 1 943 . 1 . 1 78 78 GLN NE2 N 15 107.344 0.001 . 1 . . . . . 78 GLN NE2 . 50484 1 944 . 1 . 1 79 79 PHE H H 1 8.066 0.006 . 1 . . . . . 79 PHE H . 50484 1 945 . 1 . 1 79 79 PHE HA H 1 5.531 0.025 . 1 . . . . . 79 PHE HA . 50484 1 946 . 1 . 1 79 79 PHE HB2 H 1 2.615 0.000 . 1 . . . . . 79 PHE HB2 . 50484 1 947 . 1 . 1 79 79 PHE HB3 H 1 2.480 0.005 . 2 . . . . . 79 PHE HB3 . 50484 1 948 . 1 . 1 79 79 PHE HD1 H 1 6.918 0.005 . 1 . . . . . 79 PHE HD1 . 50484 1 949 . 1 . 1 79 79 PHE HD2 H 1 6.918 0.005 . 1 . . . . . 79 PHE HD2 . 50484 1 950 . 1 . 1 79 79 PHE HE1 H 1 7.169 0.000 . 1 . . . . . 79 PHE HE1 . 50484 1 951 . 1 . 1 79 79 PHE HE2 H 1 7.169 0.000 . 1 . . . . . 79 PHE HE2 . 50484 1 952 . 1 . 1 79 79 PHE HZ H 1 7.513 0.000 . 1 . . . . . 79 PHE HZ . 50484 1 953 . 1 . 1 79 79 PHE C C 13 174.829 0.000 . 1 . . . . . 79 PHE C . 50484 1 954 . 1 . 1 79 79 PHE CA C 13 56.125 0.223 . 1 . . . . . 79 PHE CA . 50484 1 955 . 1 . 1 79 79 PHE CB C 13 41.929 0.160 . 1 . . . . . 79 PHE CB . 50484 1 956 . 1 . 1 79 79 PHE CD1 C 13 131.258 0.000 . 1 . . . . . 79 PHE CD1 . 50484 1 957 . 1 . 1 79 79 PHE CD2 C 13 131.258 0.000 . 1 . . . . . 79 PHE CD2 . 50484 1 958 . 1 . 1 79 79 PHE CZ C 13 132.728 0.000 . 1 . . . . . 79 PHE CZ . 50484 1 959 . 1 . 1 79 79 PHE N N 15 120.166 0.035 . 1 . . . . . 79 PHE N . 50484 1 960 . 1 . 1 80 80 PHE H H 1 10.017 0.009 . 1 . . . . . 80 PHE H . 50484 1 961 . 1 . 1 80 80 PHE HA H 1 5.595 0.024 . 1 . . . . . 80 PHE HA . 50484 1 962 . 1 . 1 80 80 PHE HB2 H 1 2.633 0.020 . 2 . . . . . 80 PHE HB2 . 50484 1 963 . 1 . 1 80 80 PHE HB3 H 1 2.707 0.006 . 2 . . . . . 80 PHE HB3 . 50484 1 964 . 1 . 1 80 80 PHE HD1 H 1 6.758 0.000 . 1 . . . . . 80 PHE HD1 . 50484 1 965 . 1 . 1 80 80 PHE HD2 H 1 6.758 0.000 . 1 . . . . . 80 PHE HD2 . 50484 1 966 . 1 . 1 80 80 PHE HE1 H 1 6.814 0.000 . 1 . . . . . 80 PHE HE1 . 50484 1 967 . 1 . 1 80 80 PHE HE2 H 1 6.814 0.000 . 1 . . . . . 80 PHE HE2 . 50484 1 968 . 1 . 1 80 80 PHE HZ H 1 6.707 0.001 . 1 . . . . . 80 PHE HZ . 50484 1 969 . 1 . 1 80 80 PHE C C 13 174.768 0.000 . 1 . . . . . 80 PHE C . 50484 1 970 . 1 . 1 80 80 PHE CA C 13 56.940 0.225 . 1 . . . . . 80 PHE CA . 50484 1 971 . 1 . 1 80 80 PHE CB C 13 44.702 0.103 . 1 . . . . . 80 PHE CB . 50484 1 972 . 1 . 1 80 80 PHE CD1 C 13 131.830 0.000 . 1 . . . . . 80 PHE CD1 . 50484 1 973 . 1 . 1 80 80 PHE CD2 C 13 131.830 0.000 . 1 . . . . . 80 PHE CD2 . 50484 1 974 . 1 . 1 80 80 PHE CE1 C 13 132.072 0.000 . 1 . . . . . 80 PHE CE1 . 50484 1 975 . 1 . 1 80 80 PHE CE2 C 13 132.072 0.000 . 1 . . . . . 80 PHE CE2 . 50484 1 976 . 1 . 1 80 80 PHE CZ C 13 128.703 0.000 . 1 . . . . . 80 PHE CZ . 50484 1 977 . 1 . 1 80 80 PHE N N 15 122.818 0.012 . 1 . . . . . 80 PHE N . 50484 1 978 . 1 . 1 81 81 LYS H H 1 8.895 0.003 . 1 . . . . . 81 LYS H . 50484 1 979 . 1 . 1 81 81 LYS HA H 1 4.620 0.007 . 1 . . . . . 81 LYS HA . 50484 1 980 . 1 . 1 81 81 LYS HB2 H 1 1.681 0.012 . 2 . . . . . 81 LYS HB2 . 50484 1 981 . 1 . 1 81 81 LYS HB3 H 1 1.724 0.011 . 2 . . . . . 81 LYS HB3 . 50484 1 982 . 1 . 1 81 81 LYS HG2 H 1 1.416 0.001 . 2 . . . . . 81 LYS HG2 . 50484 1 983 . 1 . 1 81 81 LYS HG3 H 1 1.669 0.013 . 2 . . . . . 81 LYS HG3 . 50484 1 984 . 1 . 1 81 81 LYS HD2 H 1 1.647 0.008 . 2 . . . . . 81 LYS HD2 . 50484 1 985 . 1 . 1 81 81 LYS HD3 H 1 1.773 0.011 . 2 . . . . . 81 LYS HD3 . 50484 1 986 . 1 . 1 81 81 LYS HE2 H 1 3.042 0.002 . 2 . . . . . 81 LYS HE2 . 50484 1 987 . 1 . 1 81 81 LYS HE3 H 1 2.903 0.010 . 2 . . . . . 81 LYS HE3 . 50484 1 988 . 1 . 1 81 81 LYS C C 13 176.623 0.000 . 1 . . . . . 81 LYS C . 50484 1 989 . 1 . 1 81 81 LYS CA C 13 57.007 0.125 . 1 . . . . . 81 LYS CA . 50484 1 990 . 1 . 1 81 81 LYS CB C 13 36.779 0.052 . 1 . . . . . 81 LYS CB . 50484 1 991 . 1 . 1 81 81 LYS CG C 13 25.402 0.009 . 1 . . . . . 81 LYS CG . 50484 1 992 . 1 . 1 81 81 LYS CD C 13 29.778 0.014 . 1 . . . . . 81 LYS CD . 50484 1 993 . 1 . 1 81 81 LYS CE C 13 42.681 0.119 . 1 . . . . . 81 LYS CE . 50484 1 994 . 1 . 1 81 81 LYS N N 15 118.813 0.022 . 1 . . . . . 81 LYS N . 50484 1 995 . 1 . 1 82 82 LYS H H 1 10.167 0.004 . 1 . . . . . 82 LYS H . 50484 1 996 . 1 . 1 82 82 LYS HA H 1 4.016 0.026 . 1 . . . . . 82 LYS HA . 50484 1 997 . 1 . 1 82 82 LYS HB2 H 1 2.116 0.007 . 2 . . . . . 82 LYS HB2 . 50484 1 998 . 1 . 1 82 82 LYS HB3 H 1 1.831 0.002 . 2 . . . . . 82 LYS HB3 . 50484 1 999 . 1 . 1 82 82 LYS HG2 H 1 1.397 0.002 . 2 . . . . . 82 LYS HG2 . 50484 1 1000 . 1 . 1 82 82 LYS HG3 H 1 1.481 0.003 . 2 . . . . . 82 LYS HG3 . 50484 1 1001 . 1 . 1 82 82 LYS HD2 H 1 2.110 0.003 . 2 . . . . . 82 LYS HD2 . 50484 1 1002 . 1 . 1 82 82 LYS HD3 H 1 1.729 0.003 . 2 . . . . . 82 LYS HD3 . 50484 1 1003 . 1 . 1 82 82 LYS HE2 H 1 2.939 0.002 . 2 . . . . . 82 LYS HE2 . 50484 1 1004 . 1 . 1 82 82 LYS HE3 H 1 2.998 0.003 . 2 . . . . . 82 LYS HE3 . 50484 1 1005 . 1 . 1 82 82 LYS C C 13 177.239 0.000 . 1 . . . . . 82 LYS C . 50484 1 1006 . 1 . 1 82 82 LYS CA C 13 57.438 0.123 . 1 . . . . . 82 LYS CA . 50484 1 1007 . 1 . 1 82 82 LYS CB C 13 30.392 0.093 . 1 . . . . . 82 LYS CB . 50484 1 1008 . 1 . 1 82 82 LYS CG C 13 25.274 0.108 . 1 . . . . . 82 LYS CG . 50484 1 1009 . 1 . 1 82 82 LYS CD C 13 29.431 0.007 . 1 . . . . . 82 LYS CD . 50484 1 1010 . 1 . 1 82 82 LYS CE C 13 42.360 0.015 . 1 . . . . . 82 LYS CE . 50484 1 1011 . 1 . 1 82 82 LYS N N 15 129.011 0.016 . 1 . . . . . 82 LYS N . 50484 1 1012 . 1 . 1 83 83 GLY H H 1 9.398 0.002 . 1 . . . . . 83 GLY H . 50484 1 1013 . 1 . 1 83 83 GLY HA2 H 1 4.199 0.000 . 1 . . . . . 83 GLY HA2 . 50484 1 1014 . 1 . 1 83 83 GLY HA3 H 1 3.352 0.023 . 2 . . . . . 83 GLY HA3 . 50484 1 1015 . 1 . 1 83 83 GLY C C 13 173.244 0.000 . 1 . . . . . 83 GLY C . 50484 1 1016 . 1 . 1 83 83 GLY CA C 13 46.092 0.217 . 1 . . . . . 83 GLY CA . 50484 1 1017 . 1 . 1 83 83 GLY N N 15 105.056 0.022 . 1 . . . . . 83 GLY N . 50484 1 1018 . 1 . 1 84 84 GLN H H 1 7.840 0.003 . 1 . . . . . 84 GLN H . 50484 1 1019 . 1 . 1 84 84 GLN HA H 1 4.736 0.002 . 1 . . . . . 84 GLN HA . 50484 1 1020 . 1 . 1 84 84 GLN HB2 H 1 1.994 0.003 . 2 . . . . . 84 GLN HB2 . 50484 1 1021 . 1 . 1 84 84 GLN HB3 H 1 2.142 0.002 . 2 . . . . . 84 GLN HB3 . 50484 1 1022 . 1 . 1 84 84 GLN HG2 H 1 2.384 0.009 . 2 . . . . . 84 GLN HG2 . 50484 1 1023 . 1 . 1 84 84 GLN HG3 H 1 2.352 0.003 . 2 . . . . . 84 GLN HG3 . 50484 1 1024 . 1 . 1 84 84 GLN HE21 H 1 7.825 0.000 . 1 . . . . . 84 GLN HE21 . 50484 1 1025 . 1 . 1 84 84 GLN HE22 H 1 7.033 0.000 . 1 . . . . . 84 GLN HE22 . 50484 1 1026 . 1 . 1 84 84 GLN C C 13 174.644 0.000 . 1 . . . . . 84 GLN C . 50484 1 1027 . 1 . 1 84 84 GLN CA C 13 53.936 0.084 . 1 . . . . . 84 GLN CA . 50484 1 1028 . 1 . 1 84 84 GLN CB C 13 31.737 0.046 . 1 . . . . . 84 GLN CB . 50484 1 1029 . 1 . 1 84 84 GLN CG C 13 33.800 0.009 . 1 . . . . . 84 GLN CG . 50484 1 1030 . 1 . 1 84 84 GLN N N 15 119.400 0.018 . 1 . . . . . 84 GLN N . 50484 1 1031 . 1 . 1 84 84 GLN NE2 N 15 113.801 0.039 . 1 . . . . . 84 GLN NE2 . 50484 1 1032 . 1 . 1 85 85 LYS H H 1 9.012 0.002 . 1 . . . . . 85 LYS H . 50484 1 1033 . 1 . 1 85 85 LYS HA H 1 3.997 0.023 . 1 . . . . . 85 LYS HA . 50484 1 1034 . 1 . 1 85 85 LYS HB2 H 1 1.412 0.004 . 2 . . . . . 85 LYS HB2 . 50484 1 1035 . 1 . 1 85 85 LYS HB3 H 1 1.792 0.004 . 2 . . . . . 85 LYS HB3 . 50484 1 1036 . 1 . 1 85 85 LYS HG2 H 1 0.513 0.003 . 2 . . . . . 85 LYS HG2 . 50484 1 1037 . 1 . 1 85 85 LYS HG3 H 1 1.093 0.002 . 2 . . . . . 85 LYS HG3 . 50484 1 1038 . 1 . 1 85 85 LYS HD2 H 1 1.610 0.004 . 1 . . . . . 85 LYS HD2 . 50484 1 1039 . 1 . 1 85 85 LYS HD3 H 1 1.610 0.004 . 1 . . . . . 85 LYS HD3 . 50484 1 1040 . 1 . 1 85 85 LYS HE2 H 1 2.719 0.004 . 2 . . . . . 85 LYS HE2 . 50484 1 1041 . 1 . 1 85 85 LYS HE3 H 1 2.791 0.008 . 2 . . . . . 85 LYS HE3 . 50484 1 1042 . 1 . 1 85 85 LYS C C 13 177.485 0.000 . 1 . . . . . 85 LYS C . 50484 1 1043 . 1 . 1 85 85 LYS CA C 13 57.594 0.177 . 1 . . . . . 85 LYS CA . 50484 1 1044 . 1 . 1 85 85 LYS CB C 13 31.872 0.133 . 1 . . . . . 85 LYS CB . 50484 1 1045 . 1 . 1 85 85 LYS CG C 13 25.171 0.093 . 1 . . . . . 85 LYS CG . 50484 1 1046 . 1 . 1 85 85 LYS CD C 13 29.405 0.150 . 1 . . . . . 85 LYS CD . 50484 1 1047 . 1 . 1 85 85 LYS CE C 13 42.427 0.003 . 1 . . . . . 85 LYS CE . 50484 1 1048 . 1 . 1 85 85 LYS N N 15 127.047 0.231 . 1 . . . . . 85 LYS N . 50484 1 1049 . 1 . 1 86 86 VAL H H 1 9.247 0.003 . 1 . . . . . 86 VAL H . 50484 1 1050 . 1 . 1 86 86 VAL HA H 1 4.555 0.029 . 1 . . . . . 86 VAL HA . 50484 1 1051 . 1 . 1 86 86 VAL HB H 1 2.449 0.004 . 1 . . . . . 86 VAL HB . 50484 1 1052 . 1 . 1 86 86 VAL HG11 H 1 0.963 0.008 . 2 . . . . . 86 VAL HG11 . 50484 1 1053 . 1 . 1 86 86 VAL HG12 H 1 0.963 0.008 . 2 . . . . . 86 VAL HG12 . 50484 1 1054 . 1 . 1 86 86 VAL HG13 H 1 0.963 0.008 . 2 . . . . . 86 VAL HG13 . 50484 1 1055 . 1 . 1 86 86 VAL HG21 H 1 0.651 0.007 . 2 . . . . . 86 VAL HG21 . 50484 1 1056 . 1 . 1 86 86 VAL HG22 H 1 0.651 0.007 . 2 . . . . . 86 VAL HG22 . 50484 1 1057 . 1 . 1 86 86 VAL HG23 H 1 0.651 0.007 . 2 . . . . . 86 VAL HG23 . 50484 1 1058 . 1 . 1 86 86 VAL C C 13 175.494 0.000 . 1 . . . . . 86 VAL C . 50484 1 1059 . 1 . 1 86 86 VAL CA C 13 61.077 0.242 . 1 . . . . . 86 VAL CA . 50484 1 1060 . 1 . 1 86 86 VAL CB C 13 33.023 0.147 . 1 . . . . . 86 VAL CB . 50484 1 1061 . 1 . 1 86 86 VAL CG1 C 13 21.933 0.183 . 2 . . . . . 86 VAL CG1 . 50484 1 1062 . 1 . 1 86 86 VAL CG2 C 13 19.516 0.128 . 2 . . . . . 86 VAL CG2 . 50484 1 1063 . 1 . 1 86 86 VAL N N 15 121.994 0.015 . 1 . . . . . 86 VAL N . 50484 1 1064 . 1 . 1 87 87 GLY H H 1 7.533 0.003 . 1 . . . . . 87 GLY H . 50484 1 1065 . 1 . 1 87 87 GLY HA2 H 1 4.299 0.021 . 2 . . . . . 87 GLY HA2 . 50484 1 1066 . 1 . 1 87 87 GLY HA3 H 1 3.738 0.025 . 2 . . . . . 87 GLY HA3 . 50484 1 1067 . 1 . 1 87 87 GLY C C 13 171.427 0.000 . 1 . . . . . 87 GLY C . 50484 1 1068 . 1 . 1 87 87 GLY CA C 13 46.373 0.206 . 1 . . . . . 87 GLY CA . 50484 1 1069 . 1 . 1 87 87 GLY N N 15 108.487 0.027 . 1 . . . . . 87 GLY N . 50484 1 1070 . 1 . 1 88 88 GLU H H 1 8.660 0.004 . 1 . . . . . 88 GLU H . 50484 1 1071 . 1 . 1 88 88 GLU HA H 1 5.680 0.025 . 1 . . . . . 88 GLU HA . 50484 1 1072 . 1 . 1 88 88 GLU HB2 H 1 2.176 0.007 . 2 . . . . . 88 GLU HB2 . 50484 1 1073 . 1 . 1 88 88 GLU HB3 H 1 2.354 0.004 . 2 . . . . . 88 GLU HB3 . 50484 1 1074 . 1 . 1 88 88 GLU HG2 H 1 2.144 0.005 . 2 . . . . . 88 GLU HG2 . 50484 1 1075 . 1 . 1 88 88 GLU HG3 H 1 2.206 0.002 . 2 . . . . . 88 GLU HG3 . 50484 1 1076 . 1 . 1 88 88 GLU C C 13 174.613 0.000 . 1 . . . . . 88 GLU C . 50484 1 1077 . 1 . 1 88 88 GLU CA C 13 56.590 0.203 . 1 . . . . . 88 GLU CA . 50484 1 1078 . 1 . 1 88 88 GLU CB C 13 33.373 0.120 . 1 . . . . . 88 GLU CB . 50484 1 1079 . 1 . 1 88 88 GLU CG C 13 35.666 0.114 . 1 . . . . . 88 GLU CG . 50484 1 1080 . 1 . 1 88 88 GLU N N 15 118.523 0.013 . 1 . . . . . 88 GLU N . 50484 1 1081 . 1 . 1 89 89 PHE H H 1 9.078 0.001 . 1 . . . . . 89 PHE H . 50484 1 1082 . 1 . 1 89 89 PHE HA H 1 5.055 0.025 . 1 . . . . . 89 PHE HA . 50484 1 1083 . 1 . 1 89 89 PHE HB2 H 1 3.403 0.006 . 2 . . . . . 89 PHE HB2 . 50484 1 1084 . 1 . 1 89 89 PHE HB3 H 1 3.506 0.004 . 2 . . . . . 89 PHE HB3 . 50484 1 1085 . 1 . 1 89 89 PHE HD1 H 1 7.318 0.003 . 1 . . . . . 89 PHE HD1 . 50484 1 1086 . 1 . 1 89 89 PHE HD2 H 1 7.318 0.003 . 1 . . . . . 89 PHE HD2 . 50484 1 1087 . 1 . 1 89 89 PHE HE1 H 1 6.872 0.000 . 1 . . . . . 89 PHE HE1 . 50484 1 1088 . 1 . 1 89 89 PHE HE2 H 1 6.872 0.000 . 1 . . . . . 89 PHE HE2 . 50484 1 1089 . 1 . 1 89 89 PHE C C 13 172.260 0.000 . 1 . . . . . 89 PHE C . 50484 1 1090 . 1 . 1 89 89 PHE CA C 13 58.536 0.213 . 1 . . . . . 89 PHE CA . 50484 1 1091 . 1 . 1 89 89 PHE CB C 13 41.392 0.131 . 1 . . . . . 89 PHE CB . 50484 1 1092 . 1 . 1 89 89 PHE CD1 C 13 132.515 0.002 . 1 . . . . . 89 PHE CD1 . 50484 1 1093 . 1 . 1 89 89 PHE CD2 C 13 132.515 0.002 . 1 . . . . . 89 PHE CD2 . 50484 1 1094 . 1 . 1 89 89 PHE N N 15 119.017 0.020 . 1 . . . . . 89 PHE N . 50484 1 1095 . 1 . 1 90 90 SER H H 1 8.985 0.004 . 1 . . . . . 90 SER H . 50484 1 1096 . 1 . 1 90 90 SER HA H 1 5.317 0.002 . 1 . . . . . 90 SER HA . 50484 1 1097 . 1 . 1 90 90 SER HB2 H 1 3.884 0.003 . 2 . . . . . 90 SER HB2 . 50484 1 1098 . 1 . 1 90 90 SER HB3 H 1 3.720 0.002 . 2 . . . . . 90 SER HB3 . 50484 1 1099 . 1 . 1 90 90 SER C C 13 173.825 0.000 . 1 . . . . . 90 SER C . 50484 1 1100 . 1 . 1 90 90 SER CA C 13 57.633 0.059 . 1 . . . . . 90 SER CA . 50484 1 1101 . 1 . 1 90 90 SER CB C 13 66.404 0.047 . 1 . . . . . 90 SER CB . 50484 1 1102 . 1 . 1 90 90 SER N N 15 116.879 0.014 . 1 . . . . . 90 SER N . 50484 1 1103 . 1 . 1 91 91 GLY H H 1 8.164 0.005 . 1 . . . . . 91 GLY H . 50484 1 1104 . 1 . 1 91 91 GLY HA2 H 1 4.663 0.003 . 2 . . . . . 91 GLY HA2 . 50484 1 1105 . 1 . 1 91 91 GLY HA3 H 1 3.722 0.029 . 2 . . . . . 91 GLY HA3 . 50484 1 1106 . 1 . 1 91 91 GLY C C 13 172.680 0.000 . 1 . . . . . 91 GLY C . 50484 1 1107 . 1 . 1 91 91 GLY CA C 13 44.219 0.179 . 1 . . . . . 91 GLY CA . 50484 1 1108 . 1 . 1 91 91 GLY N N 15 111.266 0.027 . 1 . . . . . 91 GLY N . 50484 1 1109 . 1 . 1 92 92 ALA H H 1 8.666 0.004 . 1 . . . . . 92 ALA H . 50484 1 1110 . 1 . 1 92 92 ALA HA H 1 4.489 0.025 . 1 . . . . . 92 ALA HA . 50484 1 1111 . 1 . 1 92 92 ALA HB1 H 1 1.406 0.005 . 1 . . . . . 92 ALA HB1 . 50484 1 1112 . 1 . 1 92 92 ALA HB2 H 1 1.406 0.005 . 1 . . . . . 92 ALA HB2 . 50484 1 1113 . 1 . 1 92 92 ALA HB3 H 1 1.406 0.005 . 1 . . . . . 92 ALA HB3 . 50484 1 1114 . 1 . 1 92 92 ALA C C 13 175.320 0.000 . 1 . . . . . 92 ALA C . 50484 1 1115 . 1 . 1 92 92 ALA CA C 13 51.229 0.225 . 1 . . . . . 92 ALA CA . 50484 1 1116 . 1 . 1 92 92 ALA CB C 13 18.556 0.141 . 1 . . . . . 92 ALA CB . 50484 1 1117 . 1 . 1 92 92 ALA N N 15 123.693 0.018 . 1 . . . . . 92 ALA N . 50484 1 1118 . 1 . 1 93 93 ASN H H 1 7.577 0.002 . 1 . . . . . 93 ASN H . 50484 1 1119 . 1 . 1 93 93 ASN HA H 1 4.832 0.026 . 1 . . . . . 93 ASN HA . 50484 1 1120 . 1 . 1 93 93 ASN HB2 H 1 2.941 0.004 . 2 . . . . . 93 ASN HB2 . 50484 1 1121 . 1 . 1 93 93 ASN HB3 H 1 2.695 0.007 . 2 . . . . . 93 ASN HB3 . 50484 1 1122 . 1 . 1 93 93 ASN HD21 H 1 7.304 0.001 . 1 . . . . . 93 ASN HD21 . 50484 1 1123 . 1 . 1 93 93 ASN HD22 H 1 7.397 0.000 . 1 . . . . . 93 ASN HD22 . 50484 1 1124 . 1 . 1 93 93 ASN C C 13 174.729 0.000 . 1 . . . . . 93 ASN C . 50484 1 1125 . 1 . 1 93 93 ASN CA C 13 52.615 0.171 . 1 . . . . . 93 ASN CA . 50484 1 1126 . 1 . 1 93 93 ASN CB C 13 39.588 0.162 . 1 . . . . . 93 ASN CB . 50484 1 1127 . 1 . 1 93 93 ASN N N 15 122.233 0.105 . 1 . . . . . 93 ASN N . 50484 1 1128 . 1 . 1 93 93 ASN ND2 N 15 113.978 0.026 . 1 . . . . . 93 ASN ND2 . 50484 1 1129 . 1 . 1 94 94 LYS H H 1 8.604 0.002 . 1 . . . . . 94 LYS H . 50484 1 1130 . 1 . 1 94 94 LYS HA H 1 3.610 0.025 . 1 . . . . . 94 LYS HA . 50484 1 1131 . 1 . 1 94 94 LYS HB2 H 1 1.392 0.000 . 1 . . . . . 94 LYS HB2 . 50484 1 1132 . 1 . 1 94 94 LYS HB3 H 1 1.392 0.000 . 1 . . . . . 94 LYS HB3 . 50484 1 1133 . 1 . 1 94 94 LYS HG2 H 1 0.639 0.005 . 2 . . . . . 94 LYS HG2 . 50484 1 1134 . 1 . 1 94 94 LYS HG3 H 1 1.221 0.004 . 2 . . . . . 94 LYS HG3 . 50484 1 1135 . 1 . 1 94 94 LYS HD2 H 1 1.104 0.004 . 1 . . . . . 94 LYS HD2 . 50484 1 1136 . 1 . 1 94 94 LYS HD3 H 1 1.104 0.004 . 1 . . . . . 94 LYS HD3 . 50484 1 1137 . 1 . 1 94 94 LYS HE2 H 1 2.649 0.001 . 1 . . . . . 94 LYS HE2 . 50484 1 1138 . 1 . 1 94 94 LYS HE3 H 1 2.649 0.001 . 1 . . . . . 94 LYS HE3 . 50484 1 1139 . 1 . 1 94 94 LYS C C 13 177.795 0.000 . 1 . . . . . 94 LYS C . 50484 1 1140 . 1 . 1 94 94 LYS CA C 13 60.849 0.204 . 1 . . . . . 94 LYS CA . 50484 1 1141 . 1 . 1 94 94 LYS CB C 13 32.827 0.501 . 1 . . . . . 94 LYS CB . 50484 1 1142 . 1 . 1 94 94 LYS CG C 13 25.710 0.128 . 1 . . . . . 94 LYS CG . 50484 1 1143 . 1 . 1 94 94 LYS CD C 13 29.636 0.021 . 1 . . . . . 94 LYS CD . 50484 1 1144 . 1 . 1 94 94 LYS CE C 13 41.914 0.002 . 1 . . . . . 94 LYS CE . 50484 1 1145 . 1 . 1 94 94 LYS N N 15 125.732 0.019 . 1 . . . . . 94 LYS N . 50484 1 1146 . 1 . 1 95 95 GLU H H 1 8.421 0.004 . 1 . . . . . 95 GLU H . 50484 1 1147 . 1 . 1 95 95 GLU HA H 1 4.093 0.026 . 1 . . . . . 95 GLU HA . 50484 1 1148 . 1 . 1 95 95 GLU HB2 H 1 2.131 0.001 . 2 . . . . . 95 GLU HB2 . 50484 1 1149 . 1 . 1 95 95 GLU HB3 H 1 1.965 0.002 . 2 . . . . . 95 GLU HB3 . 50484 1 1150 . 1 . 1 95 95 GLU HG2 H 1 2.370 0.002 . 2 . . . . . 95 GLU HG2 . 50484 1 1151 . 1 . 1 95 95 GLU HG3 H 1 2.252 0.001 . 2 . . . . . 95 GLU HG3 . 50484 1 1152 . 1 . 1 95 95 GLU C C 13 179.602 0.000 . 1 . . . . . 95 GLU C . 50484 1 1153 . 1 . 1 95 95 GLU CA C 13 60.319 0.208 . 1 . . . . . 95 GLU CA . 50484 1 1154 . 1 . 1 95 95 GLU CB C 13 29.062 0.109 . 1 . . . . . 95 GLU CB . 50484 1 1155 . 1 . 1 95 95 GLU CG C 13 37.380 0.120 . 1 . . . . . 95 GLU CG . 50484 1 1156 . 1 . 1 95 95 GLU N N 15 119.798 0.021 . 1 . . . . . 95 GLU N . 50484 1 1157 . 1 . 1 96 96 LYS H H 1 7.849 0.001 . 1 . . . . . 96 LYS H . 50484 1 1158 . 1 . 1 96 96 LYS HA H 1 3.875 0.030 . 1 . . . . . 96 LYS HA . 50484 1 1159 . 1 . 1 96 96 LYS HB2 H 1 1.368 0.005 . 2 . . . . . 96 LYS HB2 . 50484 1 1160 . 1 . 1 96 96 LYS HB3 H 1 1.015 0.003 . 2 . . . . . 96 LYS HB3 . 50484 1 1161 . 1 . 1 96 96 LYS HG2 H 1 0.362 0.008 . 2 . . . . . 96 LYS HG2 . 50484 1 1162 . 1 . 1 96 96 LYS HG3 H 1 0.767 0.004 . 2 . . . . . 96 LYS HG3 . 50484 1 1163 . 1 . 1 96 96 LYS HD2 H 1 1.190 0.010 . 2 . . . . . 96 LYS HD2 . 50484 1 1164 . 1 . 1 96 96 LYS HD3 H 1 1.018 0.003 . 2 . . . . . 96 LYS HD3 . 50484 1 1165 . 1 . 1 96 96 LYS HE2 H 1 2.648 0.004 . 2 . . . . . 96 LYS HE2 . 50484 1 1166 . 1 . 1 96 96 LYS HE3 H 1 2.541 0.004 . 2 . . . . . 96 LYS HE3 . 50484 1 1167 . 1 . 1 96 96 LYS C C 13 179.395 0.000 . 1 . . . . . 96 LYS C . 50484 1 1168 . 1 . 1 96 96 LYS CA C 13 58.469 0.222 . 1 . . . . . 96 LYS CA . 50484 1 1169 . 1 . 1 96 96 LYS CB C 13 32.719 0.087 . 1 . . . . . 96 LYS CB . 50484 1 1170 . 1 . 1 96 96 LYS CG C 13 24.766 0.130 . 1 . . . . . 96 LYS CG . 50484 1 1171 . 1 . 1 96 96 LYS CD C 13 29.454 0.124 . 1 . . . . . 96 LYS CD . 50484 1 1172 . 1 . 1 96 96 LYS CE C 13 42.157 0.122 . 1 . . . . . 96 LYS CE . 50484 1 1173 . 1 . 1 96 96 LYS N N 15 121.604 0.012 . 1 . . . . . 96 LYS N . 50484 1 1174 . 1 . 1 97 97 LEU H H 1 8.059 0.003 . 1 . . . . . 97 LEU H . 50484 1 1175 . 1 . 1 97 97 LEU HA H 1 4.105 0.030 . 1 . . . . . 97 LEU HA . 50484 1 1176 . 1 . 1 97 97 LEU HB2 H 1 2.272 0.004 . 2 . . . . . 97 LEU HB2 . 50484 1 1177 . 1 . 1 97 97 LEU HB3 H 1 1.521 0.010 . 2 . . . . . 97 LEU HB3 . 50484 1 1178 . 1 . 1 97 97 LEU HG H 1 1.523 0.003 . 1 . . . . . 97 LEU HG . 50484 1 1179 . 1 . 1 97 97 LEU HD11 H 1 0.654 0.003 . 2 . . . . . 97 LEU HD11 . 50484 1 1180 . 1 . 1 97 97 LEU HD12 H 1 0.654 0.003 . 2 . . . . . 97 LEU HD12 . 50484 1 1181 . 1 . 1 97 97 LEU HD13 H 1 0.654 0.003 . 2 . . . . . 97 LEU HD13 . 50484 1 1182 . 1 . 1 97 97 LEU HD21 H 1 0.809 0.005 . 2 . . . . . 97 LEU HD21 . 50484 1 1183 . 1 . 1 97 97 LEU HD22 H 1 0.809 0.005 . 2 . . . . . 97 LEU HD22 . 50484 1 1184 . 1 . 1 97 97 LEU HD23 H 1 0.809 0.005 . 2 . . . . . 97 LEU HD23 . 50484 1 1185 . 1 . 1 97 97 LEU C C 13 176.899 0.000 . 1 . . . . . 97 LEU C . 50484 1 1186 . 1 . 1 97 97 LEU CA C 13 59.463 0.192 . 1 . . . . . 97 LEU CA . 50484 1 1187 . 1 . 1 97 97 LEU CB C 13 41.859 0.091 . 1 . . . . . 97 LEU CB . 50484 1 1188 . 1 . 1 97 97 LEU CG C 13 26.802 0.131 . 1 . . . . . 97 LEU CG . 50484 1 1189 . 1 . 1 97 97 LEU CD1 C 13 22.882 0.000 . 2 . . . . . 97 LEU CD1 . 50484 1 1190 . 1 . 1 97 97 LEU CD2 C 13 26.881 0.000 . 2 . . . . . 97 LEU CD2 . 50484 1 1191 . 1 . 1 97 97 LEU N N 15 123.721 0.018 . 1 . . . . . 97 LEU N . 50484 1 1192 . 1 . 1 98 98 GLU H H 1 7.883 0.001 . 1 . . . . . 98 GLU H . 50484 1 1193 . 1 . 1 98 98 GLU HA H 1 3.858 0.021 . 1 . . . . . 98 GLU HA . 50484 1 1194 . 1 . 1 98 98 GLU HB2 H 1 2.233 0.022 . 2 . . . . . 98 GLU HB2 . 50484 1 1195 . 1 . 1 98 98 GLU HB3 H 1 2.225 0.026 . 2 . . . . . 98 GLU HB3 . 50484 1 1196 . 1 . 1 98 98 GLU HG2 H 1 2.367 0.001 . 2 . . . . . 98 GLU HG2 . 50484 1 1197 . 1 . 1 98 98 GLU HG3 H 1 2.535 0.005 . 2 . . . . . 98 GLU HG3 . 50484 1 1198 . 1 . 1 98 98 GLU C C 13 178.011 0.000 . 1 . . . . . 98 GLU C . 50484 1 1199 . 1 . 1 98 98 GLU CA C 13 61.150 0.561 . 1 . . . . . 98 GLU CA . 50484 1 1200 . 1 . 1 98 98 GLU CB C 13 29.996 0.120 . 1 . . . . . 98 GLU CB . 50484 1 1201 . 1 . 1 98 98 GLU CG C 13 37.131 0.109 . 1 . . . . . 98 GLU CG . 50484 1 1202 . 1 . 1 98 98 GLU N N 15 117.921 0.013 . 1 . . . . . 98 GLU N . 50484 1 1203 . 1 . 1 99 99 ALA H H 1 8.393 0.002 . 1 . . . . . 99 ALA H . 50484 1 1204 . 1 . 1 99 99 ALA HA H 1 4.124 0.025 . 1 . . . . . 99 ALA HA . 50484 1 1205 . 1 . 1 99 99 ALA HB1 H 1 1.416 0.005 . 1 . . . . . 99 ALA HB1 . 50484 1 1206 . 1 . 1 99 99 ALA HB2 H 1 1.416 0.005 . 1 . . . . . 99 ALA HB2 . 50484 1 1207 . 1 . 1 99 99 ALA HB3 H 1 1.416 0.005 . 1 . . . . . 99 ALA HB3 . 50484 1 1208 . 1 . 1 99 99 ALA C C 13 180.572 0.000 . 1 . . . . . 99 ALA C . 50484 1 1209 . 1 . 1 99 99 ALA CA C 13 55.589 0.218 . 1 . . . . . 99 ALA CA . 50484 1 1210 . 1 . 1 99 99 ALA CB C 13 19.037 0.981 . 1 . . . . . 99 ALA CB . 50484 1 1211 . 1 . 1 99 99 ALA N N 15 121.045 0.031 . 1 . . . . . 99 ALA N . 50484 1 1212 . 1 . 1 100 100 THR H H 1 8.065 0.003 . 1 . . . . . 100 THR H . 50484 1 1213 . 1 . 1 100 100 THR HA H 1 3.674 0.027 . 1 . . . . . 100 THR HA . 50484 1 1214 . 1 . 1 100 100 THR HB H 1 3.976 0.009 . 1 . . . . . 100 THR HB . 50484 1 1215 . 1 . 1 100 100 THR HG21 H 1 0.295 0.005 . 1 . . . . . 100 THR HG21 . 50484 1 1216 . 1 . 1 100 100 THR HG22 H 1 0.295 0.005 . 1 . . . . . 100 THR HG22 . 50484 1 1217 . 1 . 1 100 100 THR HG23 H 1 0.295 0.005 . 1 . . . . . 100 THR HG23 . 50484 1 1218 . 1 . 1 100 100 THR C C 13 175.622 0.000 . 1 . . . . . 100 THR C . 50484 1 1219 . 1 . 1 100 100 THR CA C 13 67.548 0.189 . 1 . . . . . 100 THR CA . 50484 1 1220 . 1 . 1 100 100 THR CB C 13 68.792 0.173 . 1 . . . . . 100 THR CB . 50484 1 1221 . 1 . 1 100 100 THR CG2 C 13 20.946 0.000 . 1 . . . . . 100 THR CG2 . 50484 1 1222 . 1 . 1 100 100 THR N N 15 115.885 0.011 . 1 . . . . . 100 THR N . 50484 1 1223 . 1 . 1 101 101 ILE H H 1 7.492 0.003 . 1 . . . . . 101 ILE H . 50484 1 1224 . 1 . 1 101 101 ILE HA H 1 3.216 0.028 . 1 . . . . . 101 ILE HA . 50484 1 1225 . 1 . 1 101 101 ILE HB H 1 1.707 0.002 . 1 . . . . . 101 ILE HB . 50484 1 1226 . 1 . 1 101 101 ILE HG12 H 1 0.779 0.017 . 2 . . . . . 101 ILE HG12 . 50484 1 1227 . 1 . 1 101 101 ILE HG13 H 1 2.133 0.004 . 2 . . . . . 101 ILE HG13 . 50484 1 1228 . 1 . 1 101 101 ILE HG21 H 1 0.175 0.007 . 1 . . . . . 101 ILE HG21 . 50484 1 1229 . 1 . 1 101 101 ILE HG22 H 1 0.175 0.007 . 1 . . . . . 101 ILE HG22 . 50484 1 1230 . 1 . 1 101 101 ILE HG23 H 1 0.175 0.007 . 1 . . . . . 101 ILE HG23 . 50484 1 1231 . 1 . 1 101 101 ILE HD11 H 1 0.809 0.009 . 1 . . . . . 101 ILE HD11 . 50484 1 1232 . 1 . 1 101 101 ILE HD12 H 1 0.809 0.009 . 1 . . . . . 101 ILE HD12 . 50484 1 1233 . 1 . 1 101 101 ILE HD13 H 1 0.809 0.009 . 1 . . . . . 101 ILE HD13 . 50484 1 1234 . 1 . 1 101 101 ILE C C 13 176.506 0.000 . 1 . . . . . 101 ILE C . 50484 1 1235 . 1 . 1 101 101 ILE CA C 13 66.986 0.623 . 1 . . . . . 101 ILE CA . 50484 1 1236 . 1 . 1 101 101 ILE CB C 13 38.442 0.200 . 1 . . . . . 101 ILE CB . 50484 1 1237 . 1 . 1 101 101 ILE CG1 C 13 30.817 0.106 . 1 . . . . . 101 ILE CG1 . 50484 1 1238 . 1 . 1 101 101 ILE CG2 C 13 16.356 0.149 . 1 . . . . . 101 ILE CG2 . 50484 1 1239 . 1 . 1 101 101 ILE CD1 C 13 15.784 0.064 . 1 . . . . . 101 ILE CD1 . 50484 1 1240 . 1 . 1 101 101 ILE N N 15 120.746 0.022 . 1 . . . . . 101 ILE N . 50484 1 1241 . 1 . 1 102 102 ASN H H 1 7.518 0.004 . 1 . . . . . 102 ASN H . 50484 1 1242 . 1 . 1 102 102 ASN HA H 1 4.315 0.022 . 1 . . . . . 102 ASN HA . 50484 1 1243 . 1 . 1 102 102 ASN HB2 H 1 2.759 0.009 . 2 . . . . . 102 ASN HB2 . 50484 1 1244 . 1 . 1 102 102 ASN HB3 H 1 2.738 0.009 . 2 . . . . . 102 ASN HB3 . 50484 1 1245 . 1 . 1 102 102 ASN C C 13 176.855 0.000 . 1 . . . . . 102 ASN C . 50484 1 1246 . 1 . 1 102 102 ASN CA C 13 57.231 0.132 . 1 . . . . . 102 ASN CA . 50484 1 1247 . 1 . 1 102 102 ASN CB C 13 39.910 0.596 . 1 . . . . . 102 ASN CB . 50484 1 1248 . 1 . 1 102 102 ASN N N 15 113.803 0.016 . 1 . . . . . 102 ASN N . 50484 1 1249 . 1 . 1 103 103 GLU H H 1 7.779 0.004 . 1 . . . . . 103 GLU H . 50484 1 1250 . 1 . 1 103 103 GLU HA H 1 4.113 0.027 . 1 . . . . . 103 GLU HA . 50484 1 1251 . 1 . 1 103 103 GLU HB2 H 1 2.131 0.007 . 2 . . . . . 103 GLU HB2 . 50484 1 1252 . 1 . 1 103 103 GLU HB3 H 1 2.029 0.005 . 2 . . . . . 103 GLU HB3 . 50484 1 1253 . 1 . 1 103 103 GLU HG2 H 1 2.372 0.003 . 2 . . . . . 103 GLU HG2 . 50484 1 1254 . 1 . 1 103 103 GLU HG3 H 1 2.209 0.005 . 2 . . . . . 103 GLU HG3 . 50484 1 1255 . 1 . 1 103 103 GLU C C 13 177.963 0.000 . 1 . . . . . 103 GLU C . 50484 1 1256 . 1 . 1 103 103 GLU CA C 13 58.654 0.190 . 1 . . . . . 103 GLU CA . 50484 1 1257 . 1 . 1 103 103 GLU CB C 13 30.634 0.093 . 1 . . . . . 103 GLU CB . 50484 1 1258 . 1 . 1 103 103 GLU CG C 13 36.480 0.112 . 1 . . . . . 103 GLU CG . 50484 1 1259 . 1 . 1 103 103 GLU N N 15 119.025 0.016 . 1 . . . . . 103 GLU N . 50484 1 1260 . 1 . 1 104 104 LEU H H 1 7.402 0.003 . 1 . . . . . 104 LEU H . 50484 1 1261 . 1 . 1 104 104 LEU HA H 1 4.402 0.029 . 1 . . . . . 104 LEU HA . 50484 1 1262 . 1 . 1 104 104 LEU HB2 H 1 1.575 0.005 . 2 . . . . . 104 LEU HB2 . 50484 1 1263 . 1 . 1 104 104 LEU HB3 H 1 1.413 0.005 . 2 . . . . . 104 LEU HB3 . 50484 1 1264 . 1 . 1 104 104 LEU HG H 1 1.620 0.002 . 1 . . . . . 104 LEU HG . 50484 1 1265 . 1 . 1 104 104 LEU HD11 H 1 0.711 0.005 . 2 . . . . . 104 LEU HD11 . 50484 1 1266 . 1 . 1 104 104 LEU HD12 H 1 0.711 0.005 . 2 . . . . . 104 LEU HD12 . 50484 1 1267 . 1 . 1 104 104 LEU HD13 H 1 0.711 0.005 . 2 . . . . . 104 LEU HD13 . 50484 1 1268 . 1 . 1 104 104 LEU HD21 H 1 0.293 0.003 . 2 . . . . . 104 LEU HD21 . 50484 1 1269 . 1 . 1 104 104 LEU HD22 H 1 0.293 0.003 . 2 . . . . . 104 LEU HD22 . 50484 1 1270 . 1 . 1 104 104 LEU HD23 H 1 0.293 0.003 . 2 . . . . . 104 LEU HD23 . 50484 1 1271 . 1 . 1 104 104 LEU C C 13 176.657 0.000 . 1 . . . . . 104 LEU C . 50484 1 1272 . 1 . 1 104 104 LEU CA C 13 55.560 0.195 . 1 . . . . . 104 LEU CA . 50484 1 1273 . 1 . 1 104 104 LEU CB C 13 45.433 0.110 . 1 . . . . . 104 LEU CB . 50484 1 1274 . 1 . 1 104 104 LEU CG C 13 27.023 0.149 . 1 . . . . . 104 LEU CG . 50484 1 1275 . 1 . 1 104 104 LEU CD1 C 13 26.240 0.000 . 1 . . . . . 104 LEU CD1 . 50484 1 1276 . 1 . 1 104 104 LEU CD2 C 13 22.434 0.125 . 1 . . . . . 104 LEU CD2 . 50484 1 1277 . 1 . 1 104 104 LEU N N 15 118.173 0.021 . 1 . . . . . 104 LEU N . 50484 1 1278 . 1 . 1 105 105 VAL H H 1 7.524 0.004 . 1 . . . . . 105 VAL H . 50484 1 1279 . 1 . 1 105 105 VAL HA H 1 3.793 0.026 . 1 . . . . . 105 VAL HA . 50484 1 1280 . 1 . 1 105 105 VAL HB H 1 2.140 0.005 . 1 . . . . . 105 VAL HB . 50484 1 1281 . 1 . 1 105 105 VAL HG11 H 1 1.020 0.000 . 2 . . . . . 105 VAL HG11 . 50484 1 1282 . 1 . 1 105 105 VAL HG12 H 1 1.020 0.000 . 2 . . . . . 105 VAL HG12 . 50484 1 1283 . 1 . 1 105 105 VAL HG13 H 1 1.020 0.000 . 2 . . . . . 105 VAL HG13 . 50484 1 1284 . 1 . 1 105 105 VAL HG21 H 1 0.991 0.000 . 2 . . . . . 105 VAL HG21 . 50484 1 1285 . 1 . 1 105 105 VAL HG22 H 1 0.991 0.000 . 2 . . . . . 105 VAL HG22 . 50484 1 1286 . 1 . 1 105 105 VAL HG23 H 1 0.991 0.000 . 2 . . . . . 105 VAL HG23 . 50484 1 1287 . 1 . 1 105 105 VAL CA C 13 65.883 0.178 . 1 . . . . . 105 VAL CA . 50484 1 1288 . 1 . 1 105 105 VAL CB C 13 31.942 0.173 . 1 . . . . . 105 VAL CB . 50484 1 1289 . 1 . 1 105 105 VAL CG1 C 13 22.380 0.000 . 2 . . . . . 105 VAL CG1 . 50484 1 1290 . 1 . 1 105 105 VAL CG2 C 13 21.566 0.000 . 2 . . . . . 105 VAL CG2 . 50484 1 1291 . 1 . 1 105 105 VAL N N 15 124.305 0.016 . 1 . . . . . 105 VAL N . 50484 1 stop_ save_