data_50485 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50485 _Entry.Title ; 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 . . . . 50485 2 Fabio Almeida . . . . 50485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 50485 '15N chemical shifts' 109 50485 '1H chemical shifts' 733 50485 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' 50485 1 . . 2021-04-13 2020-09-28 original author 'original release' 50485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50484 'S-nitrosated mutant of human thioreodoxin 1 (C32S/C35S/C69S/C73S)' 50485 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50485 _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. . . 50485 1 2 Anwar Iqbal A. . . . 50485 1 3 Fabio Almeida . . . . 50485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50485 _Assembly.ID 1 _Assembly.Name 'C62only mutant' _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 C62only 1 $entity_1 . . yes native no no . . . 50485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50485 _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 free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 50485 1 2 . VAL . 50485 1 3 . LYS . 50485 1 4 . GLN . 50485 1 5 . ILE . 50485 1 6 . GLU . 50485 1 7 . SER . 50485 1 8 . LYS . 50485 1 9 . THR . 50485 1 10 . ALA . 50485 1 11 . PHE . 50485 1 12 . GLN . 50485 1 13 . GLU . 50485 1 14 . ALA . 50485 1 15 . LEU . 50485 1 16 . ASP . 50485 1 17 . ALA . 50485 1 18 . ALA . 50485 1 19 . GLY . 50485 1 20 . ASP . 50485 1 21 . LYS . 50485 1 22 . LEU . 50485 1 23 . VAL . 50485 1 24 . VAL . 50485 1 25 . VAL . 50485 1 26 . ASP . 50485 1 27 . PHE . 50485 1 28 . SER . 50485 1 29 . ALA . 50485 1 30 . THR . 50485 1 31 . TRP . 50485 1 32 . SER . 50485 1 33 . GLY . 50485 1 34 . PRO . 50485 1 35 . SER . 50485 1 36 . LYS . 50485 1 37 . MET . 50485 1 38 . ILE . 50485 1 39 . LYS . 50485 1 40 . PRO . 50485 1 41 . PHE . 50485 1 42 . PHE . 50485 1 43 . HIS . 50485 1 44 . SER . 50485 1 45 . LEU . 50485 1 46 . SER . 50485 1 47 . GLU . 50485 1 48 . LYS . 50485 1 49 . TYR . 50485 1 50 . SER . 50485 1 51 . ASN . 50485 1 52 . VAL . 50485 1 53 . ILE . 50485 1 54 . PHE . 50485 1 55 . LEU . 50485 1 56 . GLU . 50485 1 57 . VAL . 50485 1 58 . ASP . 50485 1 59 . VAL . 50485 1 60 . ASP . 50485 1 61 . ASP . 50485 1 62 . CYS . 50485 1 63 . GLN . 50485 1 64 . ASP . 50485 1 65 . VAL . 50485 1 66 . ALA . 50485 1 67 . SER . 50485 1 68 . GLU . 50485 1 69 . SER . 50485 1 70 . GLU . 50485 1 71 . VAL . 50485 1 72 . LYS . 50485 1 73 . SER . 50485 1 74 . MET . 50485 1 75 . PRO . 50485 1 76 . THR . 50485 1 77 . PHE . 50485 1 78 . GLN . 50485 1 79 . PHE . 50485 1 80 . PHE . 50485 1 81 . LYS . 50485 1 82 . LYS . 50485 1 83 . GLY . 50485 1 84 . GLN . 50485 1 85 . LYS . 50485 1 86 . VAL . 50485 1 87 . GLY . 50485 1 88 . GLU . 50485 1 89 . PHE . 50485 1 90 . SER . 50485 1 91 . GLY . 50485 1 92 . ALA . 50485 1 93 . ASN . 50485 1 94 . LYS . 50485 1 95 . GLU . 50485 1 96 . LYS . 50485 1 97 . LEU . 50485 1 98 . GLU . 50485 1 99 . ALA . 50485 1 100 . THR . 50485 1 101 . ILE . 50485 1 102 . ASN . 50485 1 103 . GLU . 50485 1 104 . LEU . 50485 1 105 . VAL . 50485 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 50485 1 . VAL 2 2 50485 1 . LYS 3 3 50485 1 . GLN 4 4 50485 1 . ILE 5 5 50485 1 . GLU 6 6 50485 1 . SER 7 7 50485 1 . LYS 8 8 50485 1 . THR 9 9 50485 1 . ALA 10 10 50485 1 . PHE 11 11 50485 1 . GLN 12 12 50485 1 . GLU 13 13 50485 1 . ALA 14 14 50485 1 . LEU 15 15 50485 1 . ASP 16 16 50485 1 . ALA 17 17 50485 1 . ALA 18 18 50485 1 . GLY 19 19 50485 1 . ASP 20 20 50485 1 . LYS 21 21 50485 1 . LEU 22 22 50485 1 . VAL 23 23 50485 1 . VAL 24 24 50485 1 . VAL 25 25 50485 1 . ASP 26 26 50485 1 . PHE 27 27 50485 1 . SER 28 28 50485 1 . ALA 29 29 50485 1 . THR 30 30 50485 1 . TRP 31 31 50485 1 . SER 32 32 50485 1 . GLY 33 33 50485 1 . PRO 34 34 50485 1 . SER 35 35 50485 1 . LYS 36 36 50485 1 . MET 37 37 50485 1 . ILE 38 38 50485 1 . LYS 39 39 50485 1 . PRO 40 40 50485 1 . PHE 41 41 50485 1 . PHE 42 42 50485 1 . HIS 43 43 50485 1 . SER 44 44 50485 1 . LEU 45 45 50485 1 . SER 46 46 50485 1 . GLU 47 47 50485 1 . LYS 48 48 50485 1 . TYR 49 49 50485 1 . SER 50 50 50485 1 . ASN 51 51 50485 1 . VAL 52 52 50485 1 . ILE 53 53 50485 1 . PHE 54 54 50485 1 . LEU 55 55 50485 1 . GLU 56 56 50485 1 . VAL 57 57 50485 1 . ASP 58 58 50485 1 . VAL 59 59 50485 1 . ASP 60 60 50485 1 . ASP 61 61 50485 1 . CYS 62 62 50485 1 . GLN 63 63 50485 1 . ASP 64 64 50485 1 . VAL 65 65 50485 1 . ALA 66 66 50485 1 . SER 67 67 50485 1 . GLU 68 68 50485 1 . SER 69 69 50485 1 . GLU 70 70 50485 1 . VAL 71 71 50485 1 . LYS 72 72 50485 1 . SER 73 73 50485 1 . MET 74 74 50485 1 . PRO 75 75 50485 1 . THR 76 76 50485 1 . PHE 77 77 50485 1 . GLN 78 78 50485 1 . PHE 79 79 50485 1 . PHE 80 80 50485 1 . LYS 81 81 50485 1 . LYS 82 82 50485 1 . GLY 83 83 50485 1 . GLN 84 84 50485 1 . LYS 85 85 50485 1 . VAL 86 86 50485 1 . GLY 87 87 50485 1 . GLU 88 88 50485 1 . PHE 89 89 50485 1 . SER 90 90 50485 1 . GLY 91 91 50485 1 . ALA 92 92 50485 1 . ASN 93 93 50485 1 . LYS 94 94 50485 1 . GLU 95 95 50485 1 . LYS 96 96 50485 1 . LEU 97 97 50485 1 . GLU 98 98 50485 1 . ALA 99 99 50485 1 . THR 100 100 50485 1 . ILE 101 101 50485 1 . ASN 102 102 50485 1 . GLU 103 103 50485 1 . LEU 104 104 50485 1 . VAL 105 105 50485 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 50485 _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 . . . . . . . . . . . . . 50485 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 50485 _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 . . . 50485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50485 _Sample.ID 1 _Sample.Name 13C15NC62only.Name _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _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 'C62only mutant' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 50485 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50485 1 3 'Phosphate Buffer' 'natural abundance' . . . . . . 30 . . mM . . . . 50485 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 50485 _Sample_condition_list.ID 1 _Sample_condition_list.Name C62only_Sample_condition _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 50485 1 pH 7 . pH 50485 1 pressure 1 . atm 50485 1 temperature 298 . K 50485 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50485 _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' . 50485 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 50485 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer1 _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 50485 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name NMR_spectrometer2 _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 50485 _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 . . . . . . . . . . . . . . . . . 50485 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50485 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50485 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50485 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50485 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50485 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 50485 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference.C62only _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 . . . . . . 50485 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50485 1 N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 50485 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 50485 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list.C62only _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' . . . 50485 1 2 '2D 1H-13C HSQC aliphatic' . . . 50485 1 3 '2D 1H-13C HSQC aromatic' . . . 50485 1 4 '3D CBCA(CO)NH' . . . 50485 1 5 '3D HNCO' . . . 50485 1 6 '3D HNCA' . . . 50485 1 7 '3D HNCACB' . . . 50485 1 8 '3D HBHA(CO)NH' . . . 50485 1 9 '3D HCCH-TOCSY' . . . 50485 1 10 '3D (H)CCH-TOCSY' . . . 50485 1 11 '3D 1H-13C NOESY aliphatic' . . . 50485 1 12 '3D 1H-13C NOESY aromatic' . . . 50485 1 13 '3D 1H-15N NOESY' . . . 50485 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 . . 50485 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 3.964 0.000 . 1 . . . . . 1 MET HA . 50485 1 2 . 1 . 1 1 1 MET HB2 H 1 2.148 0.000 . 2 . . . . . 1 MET HB2 . 50485 1 3 . 1 . 1 1 1 MET HB3 H 1 2.126 0.000 . 2 . . . . . 1 MET HB3 . 50485 1 4 . 1 . 1 1 1 MET HG2 H 1 2.600 0.000 . 2 . . . . . 1 MET HG2 . 50485 1 5 . 1 . 1 1 1 MET HG3 H 1 2.614 0.000 . 2 . . . . . 1 MET HG3 . 50485 1 6 . 1 . 1 1 1 MET HE1 H 1 2.126 0.000 . 1 . . . . . 1 MET HE1 . 50485 1 7 . 1 . 1 1 1 MET HE2 H 1 2.126 0.000 . 1 . . . . . 1 MET HE2 . 50485 1 8 . 1 . 1 1 1 MET HE3 H 1 2.126 0.000 . 1 . . . . . 1 MET HE3 . 50485 1 9 . 1 . 1 1 1 MET CA C 13 55.218 0.000 . 1 . . . . . 1 MET CA . 50485 1 10 . 1 . 1 1 1 MET CB C 13 32.851 0.002 . 1 . . . . . 1 MET CB . 50485 1 11 . 1 . 1 1 1 MET CG C 13 30.916 0.003 . 1 . . . . . 1 MET CG . 50485 1 12 . 1 . 1 1 1 MET CE C 13 16.870 0.000 . 1 . . . . . 1 MET CE . 50485 1 13 . 1 . 1 2 2 VAL HA H 1 3.515 0.011 . 1 . . . . . 2 VAL HA . 50485 1 14 . 1 . 1 2 2 VAL HB H 1 1.835 0.015 . 1 . . . . . 2 VAL HB . 50485 1 15 . 1 . 1 2 2 VAL HG11 H 1 0.633 0.002 . 2 . . . . . 2 VAL HG11 . 50485 1 16 . 1 . 1 2 2 VAL HG12 H 1 0.633 0.002 . 2 . . . . . 2 VAL HG12 . 50485 1 17 . 1 . 1 2 2 VAL HG13 H 1 0.633 0.002 . 2 . . . . . 2 VAL HG13 . 50485 1 18 . 1 . 1 2 2 VAL HG21 H 1 0.835 0.009 . 2 . . . . . 2 VAL HG21 . 50485 1 19 . 1 . 1 2 2 VAL HG22 H 1 0.835 0.009 . 2 . . . . . 2 VAL HG22 . 50485 1 20 . 1 . 1 2 2 VAL HG23 H 1 0.835 0.009 . 2 . . . . . 2 VAL HG23 . 50485 1 21 . 1 . 1 2 2 VAL C C 13 173.960 0.000 . 1 . . . . . 2 VAL C . 50485 1 22 . 1 . 1 2 2 VAL CA C 13 62.134 0.040 . 1 . . . . . 2 VAL CA . 50485 1 23 . 1 . 1 2 2 VAL CB C 13 32.749 1.972 . 1 . . . . . 2 VAL CB . 50485 1 24 . 1 . 1 2 2 VAL CG1 C 13 21.422 0.000 . 2 . . . . . 2 VAL CG1 . 50485 1 25 . 1 . 1 2 2 VAL CG2 C 13 21.870 0.000 . 2 . . . . . 2 VAL CG2 . 50485 1 26 . 1 . 1 3 3 LYS H H 1 8.273 0.038 . 1 . . . . . 3 LYS H . 50485 1 27 . 1 . 1 3 3 LYS HA H 1 4.563 0.010 . 1 . . . . . 3 LYS HA . 50485 1 28 . 1 . 1 3 3 LYS HB2 H 1 1.911 0.010 . 2 . . . . . 3 LYS HB2 . 50485 1 29 . 1 . 1 3 3 LYS HB3 H 1 1.750 0.010 . 2 . . . . . 3 LYS HB3 . 50485 1 30 . 1 . 1 3 3 LYS HG2 H 1 1.316 0.000 . 2 . . . . . 3 LYS HG2 . 50485 1 31 . 1 . 1 3 3 LYS HG3 H 1 1.367 0.000 . 2 . . . . . 3 LYS HG3 . 50485 1 32 . 1 . 1 3 3 LYS HD2 H 1 1.661 0.000 . 2 . . . . . 3 LYS HD2 . 50485 1 33 . 1 . 1 3 3 LYS HD3 H 1 1.599 0.000 . 2 . . . . . 3 LYS HD3 . 50485 1 34 . 1 . 1 3 3 LYS HE2 H 1 3.015 0.000 . 2 . . . . . 3 LYS HE2 . 50485 1 35 . 1 . 1 3 3 LYS HE3 H 1 2.924 0.000 . 2 . . . . . 3 LYS HE3 . 50485 1 36 . 1 . 1 3 3 LYS C C 13 174.905 0.000 . 1 . . . . . 3 LYS C . 50485 1 37 . 1 . 1 3 3 LYS CA C 13 54.862 1.671 . 1 . . . . . 3 LYS CA . 50485 1 38 . 1 . 1 3 3 LYS CB C 13 32.770 1.671 . 1 . . . . . 3 LYS CB . 50485 1 39 . 1 . 1 3 3 LYS CG C 13 24.798 0.002 . 1 . . . . . 3 LYS CG . 50485 1 40 . 1 . 1 3 3 LYS CD C 13 28.931 0.005 . 1 . . . . . 3 LYS CD . 50485 1 41 . 1 . 1 3 3 LYS CE C 13 41.666 0.000 . 1 . . . . . 3 LYS CE . 50485 1 42 . 1 . 1 3 3 LYS N N 15 127.973 0.058 . 1 . . . . . 3 LYS N . 50485 1 43 . 1 . 1 4 4 GLN H H 1 8.756 0.036 . 1 . . . . . 4 GLN H . 50485 1 44 . 1 . 1 4 4 GLN HA H 1 4.609 0.010 . 1 . . . . . 4 GLN HA . 50485 1 45 . 1 . 1 4 4 GLN HB2 H 1 2.076 0.010 . 2 . . . . . 4 GLN HB2 . 50485 1 46 . 1 . 1 4 4 GLN HB3 H 1 2.042 0.010 . 2 . . . . . 4 GLN HB3 . 50485 1 47 . 1 . 1 4 4 GLN HG2 H 1 2.349 0.000 . 2 . . . . . 4 GLN HG2 . 50485 1 48 . 1 . 1 4 4 GLN HG3 H 1 2.274 0.000 . 2 . . . . . 4 GLN HG3 . 50485 1 49 . 1 . 1 4 4 GLN HE21 H 1 6.905 0.000 . 1 . . . . . 4 GLN HE21 . 50485 1 50 . 1 . 1 4 4 GLN HE22 H 1 7.566 0.000 . 1 . . . . . 4 GLN HE22 . 50485 1 51 . 1 . 1 4 4 GLN C C 13 175.852 0.000 . 1 . . . . . 4 GLN C . 50485 1 52 . 1 . 1 4 4 GLN CA C 13 54.636 1.509 . 1 . . . . . 4 GLN CA . 50485 1 53 . 1 . 1 4 4 GLN CB C 13 27.890 1.620 . 1 . . . . . 4 GLN CB . 50485 1 54 . 1 . 1 4 4 GLN CG C 13 33.789 0.013 . 1 . . . . . 4 GLN CG . 50485 1 55 . 1 . 1 4 4 GLN N N 15 127.409 0.088 . 1 . . . . . 4 GLN N . 50485 1 56 . 1 . 1 4 4 GLN NE2 N 15 112.819 0.002 . 1 . . . . . 4 GLN NE2 . 50485 1 57 . 1 . 1 5 5 ILE H H 1 8.693 0.038 . 1 . . . . . 5 ILE H . 50485 1 58 . 1 . 1 5 5 ILE HA H 1 4.307 0.010 . 1 . . . . . 5 ILE HA . 50485 1 59 . 1 . 1 5 5 ILE HB H 1 2.175 0.010 . 1 . . . . . 5 ILE HB . 50485 1 60 . 1 . 1 5 5 ILE HG12 H 1 1.718 0.000 . 2 . . . . . 5 ILE HG12 . 50485 1 61 . 1 . 1 5 5 ILE HG13 H 1 1.685 0.000 . 2 . . . . . 5 ILE HG13 . 50485 1 62 . 1 . 1 5 5 ILE HG21 H 1 1.019 0.000 . 1 . . . . . 5 ILE HG21 . 50485 1 63 . 1 . 1 5 5 ILE HG22 H 1 1.019 0.000 . 1 . . . . . 5 ILE HG22 . 50485 1 64 . 1 . 1 5 5 ILE HG23 H 1 1.019 0.000 . 1 . . . . . 5 ILE HG23 . 50485 1 65 . 1 . 1 5 5 ILE HD11 H 1 0.703 0.000 . 1 . . . . . 5 ILE HD11 . 50485 1 66 . 1 . 1 5 5 ILE HD12 H 1 0.703 0.000 . 1 . . . . . 5 ILE HD12 . 50485 1 67 . 1 . 1 5 5 ILE HD13 H 1 0.703 0.000 . 1 . . . . . 5 ILE HD13 . 50485 1 68 . 1 . 1 5 5 ILE C C 13 176.350 0.000 . 1 . . . . . 5 ILE C . 50485 1 69 . 1 . 1 5 5 ILE CA C 13 56.875 1.517 . 1 . . . . . 5 ILE CA . 50485 1 70 . 1 . 1 5 5 ILE CB C 13 35.355 1.808 . 1 . . . . . 5 ILE CB . 50485 1 71 . 1 . 1 5 5 ILE CG1 C 13 26.490 0.000 . 1 . . . . . 5 ILE CG1 . 50485 1 72 . 1 . 1 5 5 ILE CG2 C 13 18.500 0.000 . 1 . . . . . 5 ILE CG2 . 50485 1 73 . 1 . 1 5 5 ILE CD1 C 13 8.664 0.000 . 1 . . . . . 5 ILE CD1 . 50485 1 74 . 1 . 1 5 5 ILE N N 15 127.653 0.103 . 1 . . . . . 5 ILE N . 50485 1 75 . 1 . 1 6 6 GLU H H 1 8.993 0.037 . 1 . . . . . 6 GLU H . 50485 1 76 . 1 . 1 6 6 GLU HA H 1 4.518 0.010 . 1 . . . . . 6 GLU HA . 50485 1 77 . 1 . 1 6 6 GLU HB2 H 1 2.229 0.010 . 2 . . . . . 6 GLU HB2 . 50485 1 78 . 1 . 1 6 6 GLU HB3 H 1 2.002 0.010 . 2 . . . . . 6 GLU HB3 . 50485 1 79 . 1 . 1 6 6 GLU HG2 H 1 2.228 0.000 . 2 . . . . . 6 GLU HG2 . 50485 1 80 . 1 . 1 6 6 GLU HG3 H 1 2.186 0.000 . 2 . . . . . 6 GLU HG3 . 50485 1 81 . 1 . 1 6 6 GLU C C 13 175.631 0.000 . 1 . . . . . 6 GLU C . 50485 1 82 . 1 . 1 6 6 GLU CA C 13 55.798 1.533 . 1 . . . . . 6 GLU CA . 50485 1 83 . 1 . 1 6 6 GLU CB C 13 30.408 1.666 . 1 . . . . . 6 GLU CB . 50485 1 84 . 1 . 1 6 6 GLU CG C 13 36.350 0.004 . 1 . . . . . 6 GLU CG . 50485 1 85 . 1 . 1 6 6 GLU N N 15 123.777 0.042 . 1 . . . . . 6 GLU N . 50485 1 86 . 1 . 1 7 7 SER H H 1 7.386 0.037 . 1 . . . . . 7 SER H . 50485 1 87 . 1 . 1 7 7 SER HA H 1 4.883 0.011 . 1 . . . . . 7 SER HA . 50485 1 88 . 1 . 1 7 7 SER HB2 H 1 4.280 0.008 . 2 . . . . . 7 SER HB2 . 50485 1 89 . 1 . 1 7 7 SER HB3 H 1 4.118 0.010 . 2 . . . . . 7 SER HB3 . 50485 1 90 . 1 . 1 7 7 SER C C 13 173.799 0.000 . 1 . . . . . 7 SER C . 50485 1 91 . 1 . 1 7 7 SER CA C 13 56.684 1.556 . 1 . . . . . 7 SER CA . 50485 1 92 . 1 . 1 7 7 SER CB C 13 65.667 1.611 . 1 . . . . . 7 SER CB . 50485 1 93 . 1 . 1 7 7 SER N N 15 111.705 0.058 . 1 . . . . . 7 SER N . 50485 1 94 . 1 . 1 8 8 LYS H H 1 9.443 0.037 . 1 . . . . . 8 LYS H . 50485 1 95 . 1 . 1 8 8 LYS HA H 1 3.925 0.010 . 1 . . . . . 8 LYS HA . 50485 1 96 . 1 . 1 8 8 LYS HB2 H 1 1.901 0.010 . 2 . . . . . 8 LYS HB2 . 50485 1 97 . 1 . 1 8 8 LYS HB3 H 1 1.837 0.010 . 2 . . . . . 8 LYS HB3 . 50485 1 98 . 1 . 1 8 8 LYS HG2 H 1 1.449 0.000 . 2 . . . . . 8 LYS HG2 . 50485 1 99 . 1 . 1 8 8 LYS HG3 H 1 1.641 0.000 . 2 . . . . . 8 LYS HG3 . 50485 1 100 . 1 . 1 8 8 LYS HD2 H 1 1.641 0.000 . 2 . . . . . 8 LYS HD2 . 50485 1 101 . 1 . 1 8 8 LYS HD3 H 1 1.740 0.000 . 2 . . . . . 8 LYS HD3 . 50485 1 102 . 1 . 1 8 8 LYS HE2 H 1 3.036 0.000 . 2 . . . . . 8 LYS HE2 . 50485 1 103 . 1 . 1 8 8 LYS HE3 H 1 2.915 0.000 . 2 . . . . . 8 LYS HE3 . 50485 1 104 . 1 . 1 8 8 LYS C C 13 178.454 0.000 . 1 . . . . . 8 LYS C . 50485 1 105 . 1 . 1 8 8 LYS CA C 13 59.139 1.529 . 1 . . . . . 8 LYS CA . 50485 1 106 . 1 . 1 8 8 LYS CB C 13 31.375 1.646 . 1 . . . . . 8 LYS CB . 50485 1 107 . 1 . 1 8 8 LYS CG C 13 25.273 0.003 . 1 . . . . . 8 LYS CG . 50485 1 108 . 1 . 1 8 8 LYS CD C 13 29.575 0.006 . 1 . . . . . 8 LYS CD . 50485 1 109 . 1 . 1 8 8 LYS CE C 13 41.965 0.003 . 1 . . . . . 8 LYS CE . 50485 1 110 . 1 . 1 8 8 LYS N N 15 122.449 0.045 . 1 . . . . . 8 LYS N . 50485 1 111 . 1 . 1 9 9 THR H H 1 8.190 0.037 . 1 . . . . . 9 THR H . 50485 1 112 . 1 . 1 9 9 THR HA H 1 4.014 0.009 . 1 . . . . . 9 THR HA . 50485 1 113 . 1 . 1 9 9 THR HB H 1 4.068 0.010 . 1 . . . . . 9 THR HB . 50485 1 114 . 1 . 1 9 9 THR HG21 H 1 1.239 0.000 . 1 . . . . . 9 THR HG21 . 50485 1 115 . 1 . 1 9 9 THR HG22 H 1 1.239 0.000 . 1 . . . . . 9 THR HG22 . 50485 1 116 . 1 . 1 9 9 THR HG23 H 1 1.239 0.000 . 1 . . . . . 9 THR HG23 . 50485 1 117 . 1 . 1 9 9 THR C C 13 176.273 0.000 . 1 . . . . . 9 THR C . 50485 1 118 . 1 . 1 9 9 THR CA C 13 65.752 1.513 . 1 . . . . . 9 THR CA . 50485 1 119 . 1 . 1 9 9 THR CB C 13 67.538 1.771 . 1 . . . . . 9 THR CB . 50485 1 120 . 1 . 1 9 9 THR CG2 C 13 21.880 0.000 . 1 . . . . . 9 THR CG2 . 50485 1 121 . 1 . 1 9 9 THR N N 15 115.333 0.082 . 1 . . . . . 9 THR N . 50485 1 122 . 1 . 1 10 10 ALA H H 1 7.952 0.038 . 1 . . . . . 10 ALA H . 50485 1 123 . 1 . 1 10 10 ALA HA H 1 4.227 0.008 . 1 . . . . . 10 ALA HA . 50485 1 124 . 1 . 1 10 10 ALA HB1 H 1 1.616 0.010 . 1 . . . . . 10 ALA HB1 . 50485 1 125 . 1 . 1 10 10 ALA HB2 H 1 1.616 0.010 . 1 . . . . . 10 ALA HB2 . 50485 1 126 . 1 . 1 10 10 ALA HB3 H 1 1.616 0.010 . 1 . . . . . 10 ALA HB3 . 50485 1 127 . 1 . 1 10 10 ALA C C 13 180.397 0.000 . 1 . . . . . 10 ALA C . 50485 1 128 . 1 . 1 10 10 ALA CA C 13 54.062 1.511 . 1 . . . . . 10 ALA CA . 50485 1 129 . 1 . 1 10 10 ALA CB C 13 17.714 1.750 . 1 . . . . . 10 ALA CB . 50485 1 130 . 1 . 1 10 10 ALA N N 15 123.878 0.078 . 1 . . . . . 10 ALA N . 50485 1 131 . 1 . 1 11 11 PHE H H 1 8.122 0.037 . 1 . . . . . 11 PHE H . 50485 1 132 . 1 . 1 11 11 PHE HA H 1 4.082 0.011 . 1 . . . . . 11 PHE HA . 50485 1 133 . 1 . 1 11 11 PHE HB2 H 1 3.404 0.010 . 2 . . . . . 11 PHE HB2 . 50485 1 134 . 1 . 1 11 11 PHE HB3 H 1 3.086 0.008 . 2 . . . . . 11 PHE HB3 . 50485 1 135 . 1 . 1 11 11 PHE C C 13 175.707 0.000 . 1 . . . . . 11 PHE C . 50485 1 136 . 1 . 1 11 11 PHE CA C 13 60.172 1.518 . 1 . . . . . 11 PHE CA . 50485 1 137 . 1 . 1 11 11 PHE CB C 13 38.290 1.670 . 1 . . . . . 11 PHE CB . 50485 1 138 . 1 . 1 11 11 PHE N N 15 121.072 0.073 . 1 . . . . . 11 PHE N . 50485 1 139 . 1 . 1 12 12 GLN H H 1 8.157 0.037 . 1 . . . . . 12 GLN H . 50485 1 140 . 1 . 1 12 12 GLN HA H 1 3.599 0.011 . 1 . . . . . 12 GLN HA . 50485 1 141 . 1 . 1 12 12 GLN HB2 H 1 2.205 0.010 . 2 . . . . . 12 GLN HB2 . 50485 1 142 . 1 . 1 12 12 GLN HB3 H 1 2.149 0.010 . 2 . . . . . 12 GLN HB3 . 50485 1 143 . 1 . 1 12 12 GLN HG2 H 1 2.376 0.000 . 2 . . . . . 12 GLN HG2 . 50485 1 144 . 1 . 1 12 12 GLN HG3 H 1 2.484 0.002 . 2 . . . . . 12 GLN HG3 . 50485 1 145 . 1 . 1 12 12 GLN HE21 H 1 7.711 0.003 . 1 . . . . . 12 GLN HE21 . 50485 1 146 . 1 . 1 12 12 GLN HE22 H 1 6.853 0.000 . 1 . . . . . 12 GLN HE22 . 50485 1 147 . 1 . 1 12 12 GLN C C 13 178.574 0.000 . 1 . . . . . 12 GLN C . 50485 1 148 . 1 . 1 12 12 GLN CA C 13 57.906 1.518 . 1 . . . . . 12 GLN CA . 50485 1 149 . 1 . 1 12 12 GLN CB C 13 27.528 1.652 . 1 . . . . . 12 GLN CB . 50485 1 150 . 1 . 1 12 12 GLN CG C 13 33.887 0.014 . 1 . . . . . 12 GLN CG . 50485 1 151 . 1 . 1 12 12 GLN N N 15 117.439 0.040 . 1 . . . . . 12 GLN N . 50485 1 152 . 1 . 1 12 12 GLN NE2 N 15 114.147 0.031 . 1 . . . . . 12 GLN NE2 . 50485 1 153 . 1 . 1 13 13 GLU H H 1 8.281 0.037 . 1 . . . . . 13 GLU H . 50485 1 154 . 1 . 1 13 13 GLU HA H 1 3.990 0.011 . 1 . . . . . 13 GLU HA . 50485 1 155 . 1 . 1 13 13 GLU HB2 H 1 2.069 0.008 . 2 . . . . . 13 GLU HB2 . 50485 1 156 . 1 . 1 13 13 GLU HB3 H 1 1.978 0.008 . 2 . . . . . 13 GLU HB3 . 50485 1 157 . 1 . 1 13 13 GLU HG2 H 1 2.479 0.006 . 2 . . . . . 13 GLU HG2 . 50485 1 158 . 1 . 1 13 13 GLU HG3 H 1 2.203 0.005 . 2 . . . . . 13 GLU HG3 . 50485 1 159 . 1 . 1 13 13 GLU C C 13 179.205 0.000 . 1 . . . . . 13 GLU C . 50485 1 160 . 1 . 1 13 13 GLU CA C 13 59.814 1.667 . 1 . . . . . 13 GLU CA . 50485 1 161 . 1 . 1 13 13 GLU CB C 13 29.445 1.126 . 1 . . . . . 13 GLU CB . 50485 1 162 . 1 . 1 13 13 GLU CG C 13 36.783 0.062 . 1 . . . . . 13 GLU CG . 50485 1 163 . 1 . 1 13 13 GLU N N 15 117.825 0.113 . 1 . . . . . 13 GLU N . 50485 1 164 . 1 . 1 14 14 ALA H H 1 7.835 0.036 . 1 . . . . . 14 ALA H . 50485 1 165 . 1 . 1 14 14 ALA HA H 1 4.077 0.013 . 1 . . . . . 14 ALA HA . 50485 1 166 . 1 . 1 14 14 ALA HB1 H 1 1.353 0.011 . 1 . . . . . 14 ALA HB1 . 50485 1 167 . 1 . 1 14 14 ALA HB2 H 1 1.353 0.011 . 1 . . . . . 14 ALA HB2 . 50485 1 168 . 1 . 1 14 14 ALA HB3 H 1 1.353 0.011 . 1 . . . . . 14 ALA HB3 . 50485 1 169 . 1 . 1 14 14 ALA C C 13 180.530 0.000 . 1 . . . . . 14 ALA C . 50485 1 170 . 1 . 1 14 14 ALA CA C 13 54.886 1.755 . 1 . . . . . 14 ALA CA . 50485 1 171 . 1 . 1 14 14 ALA CB C 13 17.749 1.543 . 1 . . . . . 14 ALA CB . 50485 1 172 . 1 . 1 14 14 ALA N N 15 121.864 0.079 . 1 . . . . . 14 ALA N . 50485 1 173 . 1 . 1 15 15 LEU H H 1 7.653 0.036 . 1 . . . . . 15 LEU H . 50485 1 174 . 1 . 1 15 15 LEU HA H 1 3.730 0.008 . 1 . . . . . 15 LEU HA . 50485 1 175 . 1 . 1 15 15 LEU HB2 H 1 1.021 0.007 . 2 . . . . . 15 LEU HB2 . 50485 1 176 . 1 . 1 15 15 LEU HB3 H 1 1.584 0.010 . 2 . . . . . 15 LEU HB3 . 50485 1 177 . 1 . 1 15 15 LEU HG H 1 0.937 0.000 . 1 . . . . . 15 LEU HG . 50485 1 178 . 1 . 1 15 15 LEU HD11 H 1 -0.090 0.000 . 2 . . . . . 15 LEU HD11 . 50485 1 179 . 1 . 1 15 15 LEU HD12 H 1 -0.090 0.000 . 2 . . . . . 15 LEU HD12 . 50485 1 180 . 1 . 1 15 15 LEU HD13 H 1 -0.090 0.000 . 2 . . . . . 15 LEU HD13 . 50485 1 181 . 1 . 1 15 15 LEU HD21 H 1 -0.198 0.000 . 2 . . . . . 15 LEU HD21 . 50485 1 182 . 1 . 1 15 15 LEU HD22 H 1 -0.198 0.000 . 2 . . . . . 15 LEU HD22 . 50485 1 183 . 1 . 1 15 15 LEU HD23 H 1 -0.198 0.000 . 2 . . . . . 15 LEU HD23 . 50485 1 184 . 1 . 1 15 15 LEU C C 13 180.589 0.000 . 1 . . . . . 15 LEU C . 50485 1 185 . 1 . 1 15 15 LEU CA C 13 57.220 1.514 . 1 . . . . . 15 LEU CA . 50485 1 186 . 1 . 1 15 15 LEU CB C 13 40.380 1.672 . 1 . . . . . 15 LEU CB . 50485 1 187 . 1 . 1 15 15 LEU CG C 13 26.193 0.000 . 1 . . . . . 15 LEU CG . 50485 1 188 . 1 . 1 15 15 LEU CD1 C 13 22.131 0.000 . 2 . . . . . 15 LEU CD1 . 50485 1 189 . 1 . 1 15 15 LEU CD2 C 13 24.671 0.000 . 2 . . . . . 15 LEU CD2 . 50485 1 190 . 1 . 1 15 15 LEU N N 15 117.360 0.143 . 1 . . . . . 15 LEU N . 50485 1 191 . 1 . 1 16 16 ASP H H 1 8.112 0.037 . 1 . . . . . 16 ASP H . 50485 1 192 . 1 . 1 16 16 ASP HA H 1 4.341 0.010 . 1 . . . . . 16 ASP HA . 50485 1 193 . 1 . 1 16 16 ASP HB2 H 1 2.656 0.010 . 2 . . . . . 16 ASP HB2 . 50485 1 194 . 1 . 1 16 16 ASP HB3 H 1 2.688 0.010 . 2 . . . . . 16 ASP HB3 . 50485 1 195 . 1 . 1 16 16 ASP C C 13 178.482 0.000 . 1 . . . . . 16 ASP C . 50485 1 196 . 1 . 1 16 16 ASP CA C 13 56.308 1.522 . 1 . . . . . 16 ASP CA . 50485 1 197 . 1 . 1 16 16 ASP CB C 13 39.928 1.660 . 1 . . . . . 16 ASP CB . 50485 1 198 . 1 . 1 16 16 ASP N N 15 119.883 0.080 . 1 . . . . . 16 ASP N . 50485 1 199 . 1 . 1 17 17 ALA H H 1 8.096 0.037 . 1 . . . . . 17 ALA H . 50485 1 200 . 1 . 1 17 17 ALA HA H 1 4.214 0.007 . 1 . . . . . 17 ALA HA . 50485 1 201 . 1 . 1 17 17 ALA HB1 H 1 1.463 0.010 . 1 . . . . . 17 ALA HB1 . 50485 1 202 . 1 . 1 17 17 ALA HB2 H 1 1.463 0.010 . 1 . . . . . 17 ALA HB2 . 50485 1 203 . 1 . 1 17 17 ALA HB3 H 1 1.463 0.010 . 1 . . . . . 17 ALA HB3 . 50485 1 204 . 1 . 1 17 17 ALA C C 13 178.408 0.000 . 1 . . . . . 17 ALA C . 50485 1 205 . 1 . 1 17 17 ALA CA C 13 52.598 1.532 . 1 . . . . . 17 ALA CA . 50485 1 206 . 1 . 1 17 17 ALA CB C 13 17.520 1.794 . 1 . . . . . 17 ALA CB . 50485 1 207 . 1 . 1 17 17 ALA N N 15 121.407 0.068 . 1 . . . . . 17 ALA N . 50485 1 208 . 1 . 1 18 18 ALA H H 1 7.151 0.037 . 1 . . . . . 18 ALA H . 50485 1 209 . 1 . 1 18 18 ALA HA H 1 3.938 0.011 . 1 . . . . . 18 ALA HA . 50485 1 210 . 1 . 1 18 18 ALA HB1 H 1 1.396 0.006 . 1 . . . . . 18 ALA HB1 . 50485 1 211 . 1 . 1 18 18 ALA HB2 H 1 1.396 0.006 . 1 . . . . . 18 ALA HB2 . 50485 1 212 . 1 . 1 18 18 ALA HB3 H 1 1.396 0.006 . 1 . . . . . 18 ALA HB3 . 50485 1 213 . 1 . 1 18 18 ALA C C 13 178.722 0.000 . 1 . . . . . 18 ALA C . 50485 1 214 . 1 . 1 18 18 ALA CA C 13 53.828 1.759 . 1 . . . . . 18 ALA CA . 50485 1 215 . 1 . 1 18 18 ALA CB C 13 20.000 1.463 . 1 . . . . . 18 ALA CB . 50485 1 216 . 1 . 1 18 18 ALA N N 15 118.994 0.065 . 1 . . . . . 18 ALA N . 50485 1 217 . 1 . 1 19 19 GLY H H 1 7.630 0.034 . 1 . . . . . 19 GLY H . 50485 1 218 . 1 . 1 19 19 GLY HA2 H 1 3.785 0.014 . 2 . . . . . 19 GLY HA2 . 50485 1 219 . 1 . 1 19 19 GLY HA3 H 1 3.947 0.010 . 2 . . . . . 19 GLY HA3 . 50485 1 220 . 1 . 1 19 19 GLY C C 13 176.075 0.000 . 1 . . . . . 19 GLY C . 50485 1 221 . 1 . 1 19 19 GLY CA C 13 47.430 1.544 . 1 . . . . . 19 GLY CA . 50485 1 222 . 1 . 1 19 19 GLY N N 15 106.103 0.045 . 1 . . . . . 19 GLY N . 50485 1 223 . 1 . 1 20 20 ASP H H 1 9.047 0.037 . 1 . . . . . 20 ASP H . 50485 1 224 . 1 . 1 20 20 ASP HA H 1 4.669 0.010 . 1 . . . . . 20 ASP HA . 50485 1 225 . 1 . 1 20 20 ASP HB2 H 1 2.770 0.013 . 2 . . . . . 20 ASP HB2 . 50485 1 226 . 1 . 1 20 20 ASP HB3 H 1 2.752 0.000 . 1 . . . . . 20 ASP HB3 . 50485 1 227 . 1 . 1 20 20 ASP C C 13 175.971 0.000 . 1 . . . . . 20 ASP C . 50485 1 228 . 1 . 1 20 20 ASP CA C 13 54.042 1.713 . 1 . . . . . 20 ASP CA . 50485 1 229 . 1 . 1 20 20 ASP CB C 13 40.469 1.487 . 1 . . . . . 20 ASP CB . 50485 1 230 . 1 . 1 20 20 ASP N N 15 128.896 0.094 . 1 . . . . . 20 ASP N . 50485 1 231 . 1 . 1 21 21 LYS H H 1 7.774 0.035 . 1 . . . . . 21 LYS H . 50485 1 232 . 1 . 1 21 21 LYS HA H 1 4.315 0.009 . 1 . . . . . 21 LYS HA . 50485 1 233 . 1 . 1 21 21 LYS HB2 H 1 1.899 0.011 . 2 . . . . . 21 LYS HB2 . 50485 1 234 . 1 . 1 21 21 LYS HB3 H 1 1.847 0.000 . 1 . . . . . 21 LYS HB3 . 50485 1 235 . 1 . 1 21 21 LYS HG2 H 1 1.671 0.006 . 2 . . . . . 21 LYS HG2 . 50485 1 236 . 1 . 1 21 21 LYS HG3 H 1 1.568 0.005 . 2 . . . . . 21 LYS HG3 . 50485 1 237 . 1 . 1 21 21 LYS HD2 H 1 1.693 0.006 . 1 . . . . . 21 LYS HD2 . 50485 1 238 . 1 . 1 21 21 LYS HD3 H 1 1.693 0.006 . 1 . . . . . 21 LYS HD3 . 50485 1 239 . 1 . 1 21 21 LYS HE2 H 1 3.064 0.006 . 2 . . . . . 21 LYS HE2 . 50485 1 240 . 1 . 1 21 21 LYS HE3 H 1 3.063 0.005 . 2 . . . . . 21 LYS HE3 . 50485 1 241 . 1 . 1 21 21 LYS C C 13 176.459 0.000 . 1 . . . . . 21 LYS C . 50485 1 242 . 1 . 1 21 21 LYS CA C 13 57.648 1.570 . 1 . . . . . 21 LYS CA . 50485 1 243 . 1 . 1 21 21 LYS CB C 13 33.474 0.985 . 1 . . . . . 21 LYS CB . 50485 1 244 . 1 . 1 21 21 LYS CG C 13 26.374 0.106 . 1 . . . . . 21 LYS CG . 50485 1 245 . 1 . 1 21 21 LYS CD C 13 29.429 0.052 . 1 . . . . . 21 LYS CD . 50485 1 246 . 1 . 1 21 21 LYS CE C 13 42.614 0.058 . 1 . . . . . 21 LYS CE . 50485 1 247 . 1 . 1 21 21 LYS N N 15 119.501 0.088 . 1 . . . . . 21 LYS N . 50485 1 248 . 1 . 1 22 22 LEU H H 1 8.859 0.037 . 1 . . . . . 22 LEU H . 50485 1 249 . 1 . 1 22 22 LEU HA H 1 4.422 0.009 . 1 . . . . . 22 LEU HA . 50485 1 250 . 1 . 1 22 22 LEU HB2 H 1 1.984 0.007 . 2 . . . . . 22 LEU HB2 . 50485 1 251 . 1 . 1 22 22 LEU HB3 H 1 1.455 0.006 . 2 . . . . . 22 LEU HB3 . 50485 1 252 . 1 . 1 22 22 LEU HG H 1 1.569 0.007 . 1 . . . . . 22 LEU HG . 50485 1 253 . 1 . 1 22 22 LEU HD11 H 1 0.866 0.007 . 2 . . . . . 22 LEU HD11 . 50485 1 254 . 1 . 1 22 22 LEU HD12 H 1 0.866 0.007 . 2 . . . . . 22 LEU HD12 . 50485 1 255 . 1 . 1 22 22 LEU HD13 H 1 0.866 0.007 . 2 . . . . . 22 LEU HD13 . 50485 1 256 . 1 . 1 22 22 LEU HD21 H 1 1.052 0.005 . 2 . . . . . 22 LEU HD21 . 50485 1 257 . 1 . 1 22 22 LEU HD22 H 1 1.052 0.005 . 2 . . . . . 22 LEU HD22 . 50485 1 258 . 1 . 1 22 22 LEU HD23 H 1 1.052 0.005 . 2 . . . . . 22 LEU HD23 . 50485 1 259 . 1 . 1 22 22 LEU C C 13 173.650 0.000 . 1 . . . . . 22 LEU C . 50485 1 260 . 1 . 1 22 22 LEU CA C 13 56.340 1.669 . 1 . . . . . 22 LEU CA . 50485 1 261 . 1 . 1 22 22 LEU CB C 13 42.762 1.106 . 1 . . . . . 22 LEU CB . 50485 1 262 . 1 . 1 22 22 LEU CG C 13 26.930 0.080 . 1 . . . . . 22 LEU CG . 50485 1 263 . 1 . 1 22 22 LEU CD1 C 13 27.380 0.000 . 1 . . . . . 22 LEU CD1 . 50485 1 264 . 1 . 1 22 22 LEU CD2 C 13 27.627 0.081 . 1 . . . . . 22 LEU CD2 . 50485 1 265 . 1 . 1 22 22 LEU N N 15 122.967 0.055 . 1 . . . . . 22 LEU N . 50485 1 266 . 1 . 1 23 23 VAL H H 1 9.012 0.037 . 1 . . . . . 23 VAL H . 50485 1 267 . 1 . 1 23 23 VAL HA H 1 4.873 0.016 . 1 . . . . . 23 VAL HA . 50485 1 268 . 1 . 1 23 23 VAL HB H 1 1.993 0.009 . 1 . . . . . 23 VAL HB . 50485 1 269 . 1 . 1 23 23 VAL HG11 H 1 0.632 0.008 . 2 . . . . . 23 VAL HG11 . 50485 1 270 . 1 . 1 23 23 VAL HG12 H 1 0.632 0.008 . 2 . . . . . 23 VAL HG12 . 50485 1 271 . 1 . 1 23 23 VAL HG13 H 1 0.632 0.008 . 2 . . . . . 23 VAL HG13 . 50485 1 272 . 1 . 1 23 23 VAL HG21 H 1 0.856 0.005 . 2 . . . . . 23 VAL HG21 . 50485 1 273 . 1 . 1 23 23 VAL HG22 H 1 0.856 0.005 . 2 . . . . . 23 VAL HG22 . 50485 1 274 . 1 . 1 23 23 VAL HG23 H 1 0.856 0.005 . 2 . . . . . 23 VAL HG23 . 50485 1 275 . 1 . 1 23 23 VAL C C 13 175.315 0.000 . 1 . . . . . 23 VAL C . 50485 1 276 . 1 . 1 23 23 VAL CA C 13 59.771 1.362 . 1 . . . . . 23 VAL CA . 50485 1 277 . 1 . 1 23 23 VAL CB C 13 33.699 1.587 . 1 . . . . . 23 VAL CB . 50485 1 278 . 1 . 1 23 23 VAL CG1 C 13 21.500 0.086 . 1 . . . . . 23 VAL CG1 . 50485 1 279 . 1 . 1 23 23 VAL CG2 C 13 21.500 0.086 . 1 . . . . . 23 VAL CG2 . 50485 1 280 . 1 . 1 23 23 VAL N N 15 126.043 0.105 . 1 . . . . . 23 VAL N . 50485 1 281 . 1 . 1 24 24 VAL H H 1 9.145 0.036 . 1 . . . . . 24 VAL H . 50485 1 282 . 1 . 1 24 24 VAL HA H 1 4.447 0.010 . 1 . . . . . 24 VAL HA . 50485 1 283 . 1 . 1 24 24 VAL HB H 1 1.580 0.010 . 1 . . . . . 24 VAL HB . 50485 1 284 . 1 . 1 24 24 VAL HG11 H 1 0.450 0.008 . 2 . . . . . 24 VAL HG11 . 50485 1 285 . 1 . 1 24 24 VAL HG12 H 1 0.450 0.008 . 2 . . . . . 24 VAL HG12 . 50485 1 286 . 1 . 1 24 24 VAL HG13 H 1 0.450 0.008 . 2 . . . . . 24 VAL HG13 . 50485 1 287 . 1 . 1 24 24 VAL HG21 H 1 0.568 0.011 . 2 . . . . . 24 VAL HG21 . 50485 1 288 . 1 . 1 24 24 VAL HG22 H 1 0.568 0.011 . 2 . . . . . 24 VAL HG22 . 50485 1 289 . 1 . 1 24 24 VAL HG23 H 1 0.568 0.011 . 2 . . . . . 24 VAL HG23 . 50485 1 290 . 1 . 1 24 24 VAL C C 13 173.513 0.000 . 1 . . . . . 24 VAL C . 50485 1 291 . 1 . 1 24 24 VAL CA C 13 61.224 1.743 . 1 . . . . . 24 VAL CA . 50485 1 292 . 1 . 1 24 24 VAL CB C 13 32.675 1.698 . 1 . . . . . 24 VAL CB . 50485 1 293 . 1 . 1 24 24 VAL CG1 C 13 21.344 0.183 . 2 . . . . . 24 VAL CG1 . 50485 1 294 . 1 . 1 24 24 VAL CG2 C 13 21.748 0.088 . 2 . . . . . 24 VAL CG2 . 50485 1 295 . 1 . 1 24 24 VAL N N 15 126.761 0.065 . 1 . . . . . 24 VAL N . 50485 1 296 . 1 . 1 25 25 VAL H H 1 9.206 0.040 . 1 . . . . . 25 VAL H . 50485 1 297 . 1 . 1 25 25 VAL HA H 1 4.683 0.024 . 1 . . . . . 25 VAL HA . 50485 1 298 . 1 . 1 25 25 VAL HB H 1 1.996 0.010 . 1 . . . . . 25 VAL HB . 50485 1 299 . 1 . 1 25 25 VAL HG11 H 1 0.900 0.011 . 2 . . . . . 25 VAL HG11 . 50485 1 300 . 1 . 1 25 25 VAL HG12 H 1 0.900 0.011 . 2 . . . . . 25 VAL HG12 . 50485 1 301 . 1 . 1 25 25 VAL HG13 H 1 0.900 0.011 . 2 . . . . . 25 VAL HG13 . 50485 1 302 . 1 . 1 25 25 VAL HG21 H 1 0.059 0.005 . 2 . . . . . 25 VAL HG21 . 50485 1 303 . 1 . 1 25 25 VAL HG22 H 1 0.059 0.005 . 2 . . . . . 25 VAL HG22 . 50485 1 304 . 1 . 1 25 25 VAL HG23 H 1 0.059 0.005 . 2 . . . . . 25 VAL HG23 . 50485 1 305 . 1 . 1 25 25 VAL C C 13 174.370 0.000 . 1 . . . . . 25 VAL C . 50485 1 306 . 1 . 1 25 25 VAL CA C 13 59.992 1.333 . 1 . . . . . 25 VAL CA . 50485 1 307 . 1 . 1 25 25 VAL CB C 13 33.613 1.606 . 1 . . . . . 25 VAL CB . 50485 1 308 . 1 . 1 25 25 VAL CG1 C 13 21.942 0.000 . 1 . . . . . 25 VAL CG1 . 50485 1 309 . 1 . 1 25 25 VAL CG2 C 13 22.296 0.000 . 1 . . . . . 25 VAL CG2 . 50485 1 310 . 1 . 1 25 25 VAL N N 15 126.799 0.110 . 1 . . . . . 25 VAL N . 50485 1 311 . 1 . 1 26 26 ASP H H 1 8.431 0.038 . 1 . . . . . 26 ASP H . 50485 1 312 . 1 . 1 26 26 ASP HA H 1 4.269 0.018 . 1 . . . . . 26 ASP HA . 50485 1 313 . 1 . 1 26 26 ASP HB2 H 1 2.212 0.009 . 2 . . . . . 26 ASP HB2 . 50485 1 314 . 1 . 1 26 26 ASP HB3 H 1 1.171 0.000 . 2 . . . . . 26 ASP HB3 . 50485 1 315 . 1 . 1 26 26 ASP C C 13 174.606 0.000 . 1 . . . . . 26 ASP C . 50485 1 316 . 1 . 1 26 26 ASP CA C 13 50.891 1.719 . 1 . . . . . 26 ASP CA . 50485 1 317 . 1 . 1 26 26 ASP CB C 13 38.002 1.481 . 1 . . . . . 26 ASP CB . 50485 1 318 . 1 . 1 26 26 ASP N N 15 123.790 0.040 . 1 . . . . . 26 ASP N . 50485 1 319 . 1 . 1 27 27 PHE H H 1 8.788 0.046 . 1 . . . . . 27 PHE H . 50485 1 320 . 1 . 1 27 27 PHE HA H 1 5.075 0.012 . 1 . . . . . 27 PHE HA . 50485 1 321 . 1 . 1 27 27 PHE HB2 H 1 2.952 0.005 . 2 . . . . . 27 PHE HB2 . 50485 1 322 . 1 . 1 27 27 PHE HB3 H 1 2.393 0.008 . 2 . . . . . 27 PHE HB3 . 50485 1 323 . 1 . 1 27 27 PHE HD1 H 1 6.862 0.000 . 1 . . . . . 27 PHE HD1 . 50485 1 324 . 1 . 1 27 27 PHE HD2 H 1 6.862 0.000 . 1 . . . . . 27 PHE HD2 . 50485 1 325 . 1 . 1 27 27 PHE HE1 H 1 7.597 0.000 . 1 . . . . . 27 PHE HE1 . 50485 1 326 . 1 . 1 27 27 PHE HE2 H 1 7.597 0.000 . 1 . . . . . 27 PHE HE2 . 50485 1 327 . 1 . 1 27 27 PHE HZ H 1 7.374 0.000 . 1 . . . . . 27 PHE HZ . 50485 1 328 . 1 . 1 27 27 PHE C C 13 173.312 0.000 . 1 . . . . . 27 PHE C . 50485 1 329 . 1 . 1 27 27 PHE CA C 13 57.778 1.671 . 1 . . . . . 27 PHE CA . 50485 1 330 . 1 . 1 27 27 PHE CB C 13 38.666 1.327 . 1 . . . . . 27 PHE CB . 50485 1 331 . 1 . 1 27 27 PHE CD1 C 13 131.504 0.000 . 1 . . . . . 27 PHE CD1 . 50485 1 332 . 1 . 1 27 27 PHE CD2 C 13 131.504 0.000 . 1 . . . . . 27 PHE CD2 . 50485 1 333 . 1 . 1 27 27 PHE CE1 C 13 130.806 0.000 . 1 . . . . . 27 PHE CE1 . 50485 1 334 . 1 . 1 27 27 PHE CE2 C 13 130.806 0.000 . 1 . . . . . 27 PHE CE2 . 50485 1 335 . 1 . 1 27 27 PHE N N 15 126.011 0.088 . 1 . . . . . 27 PHE N . 50485 1 336 . 1 . 1 28 28 SER H H 1 8.547 0.037 . 1 . . . . . 28 SER H . 50485 1 337 . 1 . 1 28 28 SER HA H 1 4.511 0.010 . 1 . . . . . 28 SER HA . 50485 1 338 . 1 . 1 28 28 SER HB2 H 1 3.534 0.006 . 2 . . . . . 28 SER HB2 . 50485 1 339 . 1 . 1 28 28 SER HB3 H 1 3.468 0.019 . 2 . . . . . 28 SER HB3 . 50485 1 340 . 1 . 1 28 28 SER C C 13 171.590 0.000 . 1 . . . . . 28 SER C . 50485 1 341 . 1 . 1 28 28 SER CA C 13 55.489 1.526 . 1 . . . . . 28 SER CA . 50485 1 342 . 1 . 1 28 28 SER CB C 13 66.121 1.645 . 1 . . . . . 28 SER CB . 50485 1 343 . 1 . 1 28 28 SER N N 15 117.632 0.057 . 1 . . . . . 28 SER N . 50485 1 344 . 1 . 1 29 29 ALA H H 1 6.639 0.036 . 1 . . . . . 29 ALA H . 50485 1 345 . 1 . 1 29 29 ALA HA H 1 4.743 0.011 . 1 . . . . . 29 ALA HA . 50485 1 346 . 1 . 1 29 29 ALA HB1 H 1 0.050 0.011 . 1 . . . . . 29 ALA HB1 . 50485 1 347 . 1 . 1 29 29 ALA HB2 H 1 0.050 0.011 . 1 . . . . . 29 ALA HB2 . 50485 1 348 . 1 . 1 29 29 ALA HB3 H 1 0.050 0.011 . 1 . . . . . 29 ALA HB3 . 50485 1 349 . 1 . 1 29 29 ALA C C 13 179.404 0.000 . 1 . . . . . 29 ALA C . 50485 1 350 . 1 . 1 29 29 ALA CA C 13 50.060 1.479 . 1 . . . . . 29 ALA CA . 50485 1 351 . 1 . 1 29 29 ALA CB C 13 20.851 1.776 . 1 . . . . . 29 ALA CB . 50485 1 352 . 1 . 1 29 29 ALA N N 15 116.389 0.178 . 1 . . . . . 29 ALA N . 50485 1 353 . 1 . 1 30 30 THR H H 1 9.668 0.038 . 1 . . . . . 30 THR H . 50485 1 354 . 1 . 1 30 30 THR HA H 1 3.846 0.009 . 1 . . . . . 30 THR HA . 50485 1 355 . 1 . 1 30 30 THR HB H 1 4.264 0.009 . 1 . . . . . 30 THR HB . 50485 1 356 . 1 . 1 30 30 THR HG21 H 1 1.380 0.009 . 1 . . . . . 30 THR HG21 . 50485 1 357 . 1 . 1 30 30 THR HG22 H 1 1.380 0.009 . 1 . . . . . 30 THR HG22 . 50485 1 358 . 1 . 1 30 30 THR HG23 H 1 1.380 0.009 . 1 . . . . . 30 THR HG23 . 50485 1 359 . 1 . 1 30 30 THR C C 13 174.866 0.000 . 1 . . . . . 30 THR C . 50485 1 360 . 1 . 1 30 30 THR CA C 13 65.034 1.666 . 1 . . . . . 30 THR CA . 50485 1 361 . 1 . 1 30 30 THR CB C 13 68.846 1.454 . 1 . . . . . 30 THR CB . 50485 1 362 . 1 . 1 30 30 THR CG2 C 13 21.751 0.290 . 1 . . . . . 30 THR CG2 . 50485 1 363 . 1 . 1 30 30 THR N N 15 116.386 0.065 . 1 . . . . . 30 THR N . 50485 1 364 . 1 . 1 31 31 TRP H H 1 6.475 0.038 . 1 . . . . . 31 TRP H . 50485 1 365 . 1 . 1 31 31 TRP HA H 1 4.630 0.013 . 1 . . . . . 31 TRP HA . 50485 1 366 . 1 . 1 31 31 TRP HB2 H 1 3.161 0.009 . 2 . . . . . 31 TRP HB2 . 50485 1 367 . 1 . 1 31 31 TRP HB3 H 1 3.722 0.008 . 2 . . . . . 31 TRP HB3 . 50485 1 368 . 1 . 1 31 31 TRP HD1 H 1 7.157 0.000 . 1 . . . . . 31 TRP HD1 . 50485 1 369 . 1 . 1 31 31 TRP HE1 H 1 11.401 0.000 . 1 . . . . . 31 TRP HE1 . 50485 1 370 . 1 . 1 31 31 TRP HE3 H 1 7.199 0.000 . 1 . . . . . 31 TRP HE3 . 50485 1 371 . 1 . 1 31 31 TRP HZ2 H 1 7.407 0.000 . 1 . . . . . 31 TRP HZ2 . 50485 1 372 . 1 . 1 31 31 TRP HH2 H 1 7.120 0.000 . 1 . . . . . 31 TRP HH2 . 50485 1 373 . 1 . 1 31 31 TRP C C 13 176.339 0.000 . 1 . . . . . 31 TRP C . 50485 1 374 . 1 . 1 31 31 TRP CA C 13 53.132 1.633 . 1 . . . . . 31 TRP CA . 50485 1 375 . 1 . 1 31 31 TRP CB C 13 28.928 1.342 . 1 . . . . . 31 TRP CB . 50485 1 376 . 1 . 1 31 31 TRP CD1 C 13 125.018 0.000 . 1 . . . . . 31 TRP CD1 . 50485 1 377 . 1 . 1 31 31 TRP CE3 C 13 118.518 0.000 . 1 . . . . . 31 TRP CE3 . 50485 1 378 . 1 . 1 31 31 TRP CZ2 C 13 115.274 0.000 . 1 . . . . . 31 TRP CZ2 . 50485 1 379 . 1 . 1 31 31 TRP CH2 C 13 121.785 0.000 . 1 . . . . . 31 TRP CH2 . 50485 1 380 . 1 . 1 31 31 TRP N N 15 114.338 0.070 . 1 . . . . . 31 TRP N . 50485 1 381 . 1 . 1 31 31 TRP NE1 N 15 135.881 0.000 . 1 . . . . . 31 TRP NE1 . 50485 1 382 . 1 . 1 32 32 SER H H 1 6.420 0.036 . 1 . . . . . 32 SER H . 50485 1 383 . 1 . 1 32 32 SER HA H 1 3.976 0.000 . 1 . . . . . 32 SER HA . 50485 1 384 . 1 . 1 32 32 SER HB2 H 1 2.967 0.000 . 2 . . . . . 32 SER HB2 . 50485 1 385 . 1 . 1 32 32 SER HB3 H 1 3.370 0.000 . 2 . . . . . 32 SER HB3 . 50485 1 386 . 1 . 1 32 32 SER C C 13 174.505 0.000 . 1 . . . . . 32 SER C . 50485 1 387 . 1 . 1 32 32 SER CA C 13 55.157 1.383 . 1 . . . . . 32 SER CA . 50485 1 388 . 1 . 1 32 32 SER CB C 13 60.633 1.922 . 1 . . . . . 32 SER CB . 50485 1 389 . 1 . 1 32 32 SER N N 15 115.325 0.045 . 1 . . . . . 32 SER N . 50485 1 390 . 1 . 1 33 33 GLY H H 1 9.495 0.035 . 1 . . . . . 33 GLY H . 50485 1 391 . 1 . 1 33 33 GLY HA2 H 1 4.225 0.010 . 2 . . . . . 33 GLY HA2 . 50485 1 392 . 1 . 1 33 33 GLY HA3 H 1 3.942 0.010 . 2 . . . . . 33 GLY HA3 . 50485 1 393 . 1 . 1 33 33 GLY CA C 13 48.625 0.089 . 1 . . . . . 33 GLY CA . 50485 1 394 . 1 . 1 33 33 GLY N N 15 119.828 0.110 . 1 . . . . . 33 GLY N . 50485 1 395 . 1 . 1 34 34 PRO HA H 1 4.367 0.009 . 1 . . . . . 34 PRO HA . 50485 1 396 . 1 . 1 34 34 PRO HB2 H 1 2.527 0.007 . 2 . . . . . 34 PRO HB2 . 50485 1 397 . 1 . 1 34 34 PRO HB3 H 1 1.842 0.008 . 2 . . . . . 34 PRO HB3 . 50485 1 398 . 1 . 1 34 34 PRO HG2 H 1 2.284 0.008 . 2 . . . . . 34 PRO HG2 . 50485 1 399 . 1 . 1 34 34 PRO HG3 H 1 2.060 0.007 . 2 . . . . . 34 PRO HG3 . 50485 1 400 . 1 . 1 34 34 PRO HD2 H 1 3.790 0.007 . 2 . . . . . 34 PRO HD2 . 50485 1 401 . 1 . 1 34 34 PRO HD3 H 1 3.994 0.008 . 2 . . . . . 34 PRO HD3 . 50485 1 402 . 1 . 1 34 34 PRO C C 13 178.342 0.000 . 1 . . . . . 34 PRO C . 50485 1 403 . 1 . 1 34 34 PRO CA C 13 65.870 1.743 . 1 . . . . . 34 PRO CA . 50485 1 404 . 1 . 1 34 34 PRO CB C 13 32.360 1.007 . 1 . . . . . 34 PRO CB . 50485 1 405 . 1 . 1 34 34 PRO CG C 13 28.239 0.056 . 1 . . . . . 34 PRO CG . 50485 1 406 . 1 . 1 34 34 PRO CD C 13 51.558 0.061 . 1 . . . . . 34 PRO CD . 50485 1 407 . 1 . 1 35 35 SER H H 1 7.367 0.036 . 1 . . . . . 35 SER H . 50485 1 408 . 1 . 1 35 35 SER HA H 1 4.910 0.008 . 1 . . . . . 35 SER HA . 50485 1 409 . 1 . 1 35 35 SER HB2 H 1 3.937 0.027 . 2 . . . . . 35 SER HB2 . 50485 1 410 . 1 . 1 35 35 SER HB3 H 1 3.979 0.009 . 2 . . . . . 35 SER HB3 . 50485 1 411 . 1 . 1 35 35 SER C C 13 176.575 0.000 . 1 . . . . . 35 SER C . 50485 1 412 . 1 . 1 35 35 SER CA C 13 61.922 1.303 . 1 . . . . . 35 SER CA . 50485 1 413 . 1 . 1 35 35 SER CB C 13 62.568 1.662 . 1 . . . . . 35 SER CB . 50485 1 414 . 1 . 1 35 35 SER N N 15 111.186 0.046 . 1 . . . . . 35 SER N . 50485 1 415 . 1 . 1 36 36 LYS H H 1 8.065 0.037 . 1 . . . . . 36 LYS H . 50485 1 416 . 1 . 1 36 36 LYS HA H 1 3.936 0.010 . 1 . . . . . 36 LYS HA . 50485 1 417 . 1 . 1 36 36 LYS HB2 H 1 1.918 0.007 . 2 . . . . . 36 LYS HB2 . 50485 1 418 . 1 . 1 36 36 LYS HB3 H 1 2.026 0.009 . 2 . . . . . 36 LYS HB3 . 50485 1 419 . 1 . 1 36 36 LYS HG2 H 1 1.484 0.006 . 2 . . . . . 36 LYS HG2 . 50485 1 420 . 1 . 1 36 36 LYS HG3 H 1 1.630 0.005 . 2 . . . . . 36 LYS HG3 . 50485 1 421 . 1 . 1 36 36 LYS HD2 H 1 1.748 0.006 . 2 . . . . . 36 LYS HD2 . 50485 1 422 . 1 . 1 36 36 LYS HD3 H 1 1.794 0.006 . 2 . . . . . 36 LYS HD3 . 50485 1 423 . 1 . 1 36 36 LYS HE2 H 1 3.026 0.006 . 2 . . . . . 36 LYS HE2 . 50485 1 424 . 1 . 1 36 36 LYS HE3 H 1 2.906 0.006 . 2 . . . . . 36 LYS HE3 . 50485 1 425 . 1 . 1 36 36 LYS C C 13 179.593 0.000 . 1 . . . . . 36 LYS C . 50485 1 426 . 1 . 1 36 36 LYS CA C 13 60.131 1.637 . 1 . . . . . 36 LYS CA . 50485 1 427 . 1 . 1 36 36 LYS CB C 13 32.178 0.907 . 1 . . . . . 36 LYS CB . 50485 1 428 . 1 . 1 36 36 LYS CG C 13 25.530 0.051 . 1 . . . . . 36 LYS CG . 50485 1 429 . 1 . 1 36 36 LYS CD C 13 29.528 0.049 . 1 . . . . . 36 LYS CD . 50485 1 430 . 1 . 1 36 36 LYS CE C 13 42.037 0.052 . 1 . . . . . 36 LYS CE . 50485 1 431 . 1 . 1 36 36 LYS N N 15 122.334 0.103 . 1 . . . . . 36 LYS N . 50485 1 432 . 1 . 1 37 37 MET H H 1 8.220 0.033 . 1 . . . . . 37 MET H . 50485 1 433 . 1 . 1 37 37 MET HA H 1 4.240 0.010 . 1 . . . . . 37 MET HA . 50485 1 434 . 1 . 1 37 37 MET HB2 H 1 2.264 0.007 . 2 . . . . . 37 MET HB2 . 50485 1 435 . 1 . 1 37 37 MET HB3 H 1 2.289 0.009 . 2 . . . . . 37 MET HB3 . 50485 1 436 . 1 . 1 37 37 MET HG2 H 1 2.785 0.008 . 2 . . . . . 37 MET HG2 . 50485 1 437 . 1 . 1 37 37 MET HG3 H 1 2.670 0.007 . 2 . . . . . 37 MET HG3 . 50485 1 438 . 1 . 1 37 37 MET HE1 H 1 2.159 0.000 . 1 . . . . . 37 MET HE1 . 50485 1 439 . 1 . 1 37 37 MET HE2 H 1 2.159 0.000 . 1 . . . . . 37 MET HE2 . 50485 1 440 . 1 . 1 37 37 MET HE3 H 1 2.159 0.000 . 1 . . . . . 37 MET HE3 . 50485 1 441 . 1 . 1 37 37 MET C C 13 178.062 0.000 . 1 . . . . . 37 MET C . 50485 1 442 . 1 . 1 37 37 MET CA C 13 58.574 1.614 . 1 . . . . . 37 MET CA . 50485 1 443 . 1 . 1 37 37 MET CB C 13 32.237 0.949 . 1 . . . . . 37 MET CB . 50485 1 444 . 1 . 1 37 37 MET CG C 13 32.187 0.126 . 1 . . . . . 37 MET CG . 50485 1 445 . 1 . 1 37 37 MET CE C 13 17.292 0.000 . 1 . . . . . 37 MET CE . 50485 1 446 . 1 . 1 37 37 MET N N 15 117.172 0.189 . 1 . . . . . 37 MET N . 50485 1 447 . 1 . 1 38 38 ILE H H 1 7.529 0.037 . 1 . . . . . 38 ILE H . 50485 1 448 . 1 . 1 38 38 ILE HA H 1 4.671 0.006 . 1 . . . . . 38 ILE HA . 50485 1 449 . 1 . 1 38 38 ILE HB H 1 1.939 0.010 . 1 . . . . . 38 ILE HB . 50485 1 450 . 1 . 1 38 38 ILE HG12 H 1 1.855 0.008 . 2 . . . . . 38 ILE HG12 . 50485 1 451 . 1 . 1 38 38 ILE HG13 H 1 1.931 0.009 . 2 . . . . . 38 ILE HG13 . 50485 1 452 . 1 . 1 38 38 ILE HG21 H 1 1.315 0.009 . 1 . . . . . 38 ILE HG21 . 50485 1 453 . 1 . 1 38 38 ILE HG22 H 1 1.315 0.009 . 1 . . . . . 38 ILE HG22 . 50485 1 454 . 1 . 1 38 38 ILE HG23 H 1 1.315 0.009 . 1 . . . . . 38 ILE HG23 . 50485 1 455 . 1 . 1 38 38 ILE HD11 H 1 0.967 0.019 . 1 . . . . . 38 ILE HD11 . 50485 1 456 . 1 . 1 38 38 ILE HD12 H 1 0.967 0.019 . 1 . . . . . 38 ILE HD12 . 50485 1 457 . 1 . 1 38 38 ILE HD13 H 1 0.967 0.019 . 1 . . . . . 38 ILE HD13 . 50485 1 458 . 1 . 1 38 38 ILE C C 13 175.415 0.000 . 1 . . . . . 38 ILE C . 50485 1 459 . 1 . 1 38 38 ILE CA C 13 59.808 1.434 . 1 . . . . . 38 ILE CA . 50485 1 460 . 1 . 1 38 38 ILE CB C 13 40.467 1.532 . 1 . . . . . 38 ILE CB . 50485 1 461 . 1 . 1 38 38 ILE CG1 C 13 31.895 0.059 . 1 . . . . . 38 ILE CG1 . 50485 1 462 . 1 . 1 38 38 ILE CG2 C 13 17.771 0.067 . 1 . . . . . 38 ILE CG2 . 50485 1 463 . 1 . 1 38 38 ILE CD1 C 13 14.654 0.001 . 1 . . . . . 38 ILE CD1 . 50485 1 464 . 1 . 1 38 38 ILE N N 15 115.607 0.045 . 1 . . . . . 38 ILE N . 50485 1 465 . 1 . 1 39 39 LYS H H 1 7.509 0.037 . 1 . . . . . 39 LYS H . 50485 1 466 . 1 . 1 39 39 LYS HA H 1 4.272 0.000 . 1 . . . . . 39 LYS HA . 50485 1 467 . 1 . 1 39 39 LYS HB2 H 1 2.135 0.000 . 2 . . . . . 39 LYS HB2 . 50485 1 468 . 1 . 1 39 39 LYS HB3 H 1 1.992 0.000 . 2 . . . . . 39 LYS HB3 . 50485 1 469 . 1 . 1 39 39 LYS HG2 H 1 1.324 0.000 . 2 . . . . . 39 LYS HG2 . 50485 1 470 . 1 . 1 39 39 LYS HG3 H 1 1.414 0.000 . 2 . . . . . 39 LYS HG3 . 50485 1 471 . 1 . 1 39 39 LYS HD2 H 1 1.663 0.000 . 2 . . . . . 39 LYS HD2 . 50485 1 472 . 1 . 1 39 39 LYS HD3 H 1 1.736 0.000 . 2 . . . . . 39 LYS HD3 . 50485 1 473 . 1 . 1 39 39 LYS HE2 H 1 2.935 0.000 . 2 . . . . . 39 LYS HE2 . 50485 1 474 . 1 . 1 39 39 LYS HE3 H 1 3.018 0.000 . 2 . . . . . 39 LYS HE3 . 50485 1 475 . 1 . 1 39 39 LYS CA C 13 61.880 0.077 . 1 . . . . . 39 LYS CA . 50485 1 476 . 1 . 1 39 39 LYS CB C 13 30.147 0.086 . 1 . . . . . 39 LYS CB . 50485 1 477 . 1 . 1 39 39 LYS CG C 13 25.236 0.003 . 1 . . . . . 39 LYS CG . 50485 1 478 . 1 . 1 39 39 LYS CD C 13 28.900 0.004 . 1 . . . . . 39 LYS CD . 50485 1 479 . 1 . 1 39 39 LYS CE C 13 42.178 0.000 . 1 . . . . . 39 LYS CE . 50485 1 480 . 1 . 1 39 39 LYS N N 15 125.716 0.048 . 1 . . . . . 39 LYS N . 50485 1 481 . 1 . 1 40 40 PRO HA H 1 4.460 0.008 . 1 . . . . . 40 PRO HA . 50485 1 482 . 1 . 1 40 40 PRO HB2 H 1 2.386 0.006 . 2 . . . . . 40 PRO HB2 . 50485 1 483 . 1 . 1 40 40 PRO HB3 H 1 1.993 0.007 . 2 . . . . . 40 PRO HB3 . 50485 1 484 . 1 . 1 40 40 PRO HG2 H 1 2.062 0.007 . 2 . . . . . 40 PRO HG2 . 50485 1 485 . 1 . 1 40 40 PRO HG3 H 1 2.179 0.007 . 2 . . . . . 40 PRO HG3 . 50485 1 486 . 1 . 1 40 40 PRO HD2 H 1 3.805 0.007 . 2 . . . . . 40 PRO HD2 . 50485 1 487 . 1 . 1 40 40 PRO HD3 H 1 3.898 0.009 . 2 . . . . . 40 PRO HD3 . 50485 1 488 . 1 . 1 40 40 PRO C C 13 179.888 0.000 . 1 . . . . . 40 PRO C . 50485 1 489 . 1 . 1 40 40 PRO CA C 13 66.526 1.915 . 1 . . . . . 40 PRO CA . 50485 1 490 . 1 . 1 40 40 PRO CB C 13 30.379 1.185 . 1 . . . . . 40 PRO CB . 50485 1 491 . 1 . 1 40 40 PRO CG C 13 28.631 0.060 . 1 . . . . . 40 PRO CG . 50485 1 492 . 1 . 1 40 40 PRO CD C 13 50.202 0.018 . 1 . . . . . 40 PRO CD . 50485 1 493 . 1 . 1 41 41 PHE H H 1 7.586 0.037 . 1 . . . . . 41 PHE H . 50485 1 494 . 1 . 1 41 41 PHE HA H 1 4.488 0.011 . 1 . . . . . 41 PHE HA . 50485 1 495 . 1 . 1 41 41 PHE HB2 H 1 3.517 0.005 . 2 . . . . . 41 PHE HB2 . 50485 1 496 . 1 . 1 41 41 PHE HB3 H 1 3.238 0.007 . 2 . . . . . 41 PHE HB3 . 50485 1 497 . 1 . 1 41 41 PHE HD1 H 1 7.252 0.000 . 1 . . . . . 41 PHE HD1 . 50485 1 498 . 1 . 1 41 41 PHE HD2 H 1 7.252 0.000 . 1 . . . . . 41 PHE HD2 . 50485 1 499 . 1 . 1 41 41 PHE HE1 H 1 7.637 0.000 . 1 . . . . . 41 PHE HE1 . 50485 1 500 . 1 . 1 41 41 PHE HE2 H 1 7.637 0.000 . 1 . . . . . 41 PHE HE2 . 50485 1 501 . 1 . 1 41 41 PHE HZ H 1 7.335 0.000 . 1 . . . . . 41 PHE HZ . 50485 1 502 . 1 . 1 41 41 PHE C C 13 177.522 0.000 . 1 . . . . . 41 PHE C . 50485 1 503 . 1 . 1 41 41 PHE CA C 13 61.084 1.695 . 1 . . . . . 41 PHE CA . 50485 1 504 . 1 . 1 41 41 PHE CB C 13 39.038 1.299 . 1 . . . . . 41 PHE CB . 50485 1 505 . 1 . 1 41 41 PHE CD1 C 13 131.192 0.000 . 1 . . . . . 41 PHE CD1 . 50485 1 506 . 1 . 1 41 41 PHE CD2 C 13 131.192 0.000 . 1 . . . . . 41 PHE CD2 . 50485 1 507 . 1 . 1 41 41 PHE CE1 C 13 131.880 0.000 . 1 . . . . . 41 PHE CE1 . 50485 1 508 . 1 . 1 41 41 PHE CE2 C 13 131.880 0.000 . 1 . . . . . 41 PHE CE2 . 50485 1 509 . 1 . 1 41 41 PHE CZ C 13 132.885 0.000 . 1 . . . . . 41 PHE CZ . 50485 1 510 . 1 . 1 41 41 PHE N N 15 119.890 0.049 . 1 . . . . . 41 PHE N . 50485 1 511 . 1 . 1 42 42 PHE H H 1 8.822 0.036 . 1 . . . . . 42 PHE H . 50485 1 512 . 1 . 1 42 42 PHE HA H 1 3.995 0.009 . 1 . . . . . 42 PHE HA . 50485 1 513 . 1 . 1 42 42 PHE HB2 H 1 3.577 0.005 . 2 . . . . . 42 PHE HB2 . 50485 1 514 . 1 . 1 42 42 PHE HB3 H 1 3.154 0.010 . 2 . . . . . 42 PHE HB3 . 50485 1 515 . 1 . 1 42 42 PHE HD1 H 1 7.320 0.000 . 1 . . . . . 42 PHE HD1 . 50485 1 516 . 1 . 1 42 42 PHE HD2 H 1 7.320 0.000 . 1 . . . . . 42 PHE HD2 . 50485 1 517 . 1 . 1 42 42 PHE C C 13 176.491 0.000 . 1 . . . . . 42 PHE C . 50485 1 518 . 1 . 1 42 42 PHE CA C 13 62.878 1.715 . 1 . . . . . 42 PHE CA . 50485 1 519 . 1 . 1 42 42 PHE CB C 13 39.419 1.293 . 1 . . . . . 42 PHE CB . 50485 1 520 . 1 . 1 42 42 PHE CD1 C 13 132.999 0.000 . 1 . . . . . 42 PHE CD1 . 50485 1 521 . 1 . 1 42 42 PHE CD2 C 13 132.999 0.000 . 1 . . . . . 42 PHE CD2 . 50485 1 522 . 1 . 1 42 42 PHE N N 15 122.235 0.127 . 1 . . . . . 42 PHE N . 50485 1 523 . 1 . 1 43 43 HIS H H 1 8.332 0.038 . 1 . . . . . 43 HIS H . 50485 1 524 . 1 . 1 43 43 HIS HA H 1 3.763 0.011 . 1 . . . . . 43 HIS HA . 50485 1 525 . 1 . 1 43 43 HIS HB2 H 1 3.202 0.016 . 2 . . . . . 43 HIS HB2 . 50485 1 526 . 1 . 1 43 43 HIS HB3 H 1 3.150 0.010 . 2 . . . . . 43 HIS HB3 . 50485 1 527 . 1 . 1 43 43 HIS HD2 H 1 7.290 0.000 . 1 . . . . . 43 HIS HD2 . 50485 1 528 . 1 . 1 43 43 HIS HE1 H 1 7.775 0.000 . 1 . . . . . 43 HIS HE1 . 50485 1 529 . 1 . 1 43 43 HIS C C 13 179.623 0.000 . 1 . . . . . 43 HIS C . 50485 1 530 . 1 . 1 43 43 HIS CA C 13 60.552 1.666 . 1 . . . . . 43 HIS CA . 50485 1 531 . 1 . 1 43 43 HIS CB C 13 29.909 1.253 . 1 . . . . . 43 HIS CB . 50485 1 532 . 1 . 1 43 43 HIS CD2 C 13 119.503 0.000 . 1 . . . . . 43 HIS CD2 . 50485 1 533 . 1 . 1 43 43 HIS CE1 C 13 137.897 0.000 . 1 . . . . . 43 HIS CE1 . 50485 1 534 . 1 . 1 43 43 HIS N N 15 115.049 0.249 . 1 . . . . . 43 HIS N . 50485 1 535 . 1 . 1 44 44 SER H H 1 8.479 0.036 . 1 . . . . . 44 SER H . 50485 1 536 . 1 . 1 44 44 SER HA H 1 4.188 0.009 . 1 . . . . . 44 SER HA . 50485 1 537 . 1 . 1 44 44 SER HB2 H 1 3.952 0.008 . 2 . . . . . 44 SER HB2 . 50485 1 538 . 1 . 1 44 44 SER HB3 H 1 3.945 0.014 . 2 . . . . . 44 SER HB3 . 50485 1 539 . 1 . 1 44 44 SER C C 13 177.296 0.000 . 1 . . . . . 44 SER C . 50485 1 540 . 1 . 1 44 44 SER CA C 13 62.052 1.665 . 1 . . . . . 44 SER CA . 50485 1 541 . 1 . 1 44 44 SER CB C 13 61.881 1.526 . 1 . . . . . 44 SER CB . 50485 1 542 . 1 . 1 44 44 SER N N 15 119.282 0.042 . 1 . . . . . 44 SER N . 50485 1 543 . 1 . 1 45 45 LEU H H 1 7.858 0.037 . 1 . . . . . 45 LEU H . 50485 1 544 . 1 . 1 45 45 LEU HA H 1 3.831 0.010 . 1 . . . . . 45 LEU HA . 50485 1 545 . 1 . 1 45 45 LEU HB2 H 1 1.105 0.017 . 2 . . . . . 45 LEU HB2 . 50485 1 546 . 1 . 1 45 45 LEU HB3 H 1 1.533 0.009 . 2 . . . . . 45 LEU HB3 . 50485 1 547 . 1 . 1 45 45 LEU HG H 1 1.142 0.017 . 1 . . . . . 45 LEU HG . 50485 1 548 . 1 . 1 45 45 LEU HD11 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD11 . 50485 1 549 . 1 . 1 45 45 LEU HD12 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD12 . 50485 1 550 . 1 . 1 45 45 LEU HD13 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD13 . 50485 1 551 . 1 . 1 45 45 LEU HD21 H 1 0.716 0.018 . 2 . . . . . 45 LEU HD21 . 50485 1 552 . 1 . 1 45 45 LEU HD22 H 1 0.716 0.018 . 2 . . . . . 45 LEU HD22 . 50485 1 553 . 1 . 1 45 45 LEU HD23 H 1 0.716 0.018 . 2 . . . . . 45 LEU HD23 . 50485 1 554 . 1 . 1 45 45 LEU C C 13 177.864 0.000 . 1 . . . . . 45 LEU C . 50485 1 555 . 1 . 1 45 45 LEU CA C 13 57.954 1.695 . 1 . . . . . 45 LEU CA . 50485 1 556 . 1 . 1 45 45 LEU CB C 13 41.270 1.090 . 1 . . . . . 45 LEU CB . 50485 1 557 . 1 . 1 45 45 LEU CG C 13 25.435 0.139 . 1 . . . . . 45 LEU CG . 50485 1 558 . 1 . 1 45 45 LEU CD1 C 13 22.908 0.000 . 1 . . . . . 45 LEU CD1 . 50485 1 559 . 1 . 1 45 45 LEU CD2 C 13 26.896 0.000 . 1 . . . . . 45 LEU CD2 . 50485 1 560 . 1 . 1 45 45 LEU N N 15 123.123 0.056 . 1 . . . . . 45 LEU N . 50485 1 561 . 1 . 1 46 46 SER H H 1 6.737 0.038 . 1 . . . . . 46 SER H . 50485 1 562 . 1 . 1 46 46 SER HA H 1 3.254 0.010 . 1 . . . . . 46 SER HA . 50485 1 563 . 1 . 1 46 46 SER HB2 H 1 2.959 0.007 . 2 . . . . . 46 SER HB2 . 50485 1 564 . 1 . 1 46 46 SER HB3 H 1 2.963 0.022 . 2 . . . . . 46 SER HB3 . 50485 1 565 . 1 . 1 46 46 SER C C 13 175.441 0.000 . 1 . . . . . 46 SER C . 50485 1 566 . 1 . 1 46 46 SER CA C 13 59.936 1.629 . 1 . . . . . 46 SER CA . 50485 1 567 . 1 . 1 46 46 SER CB C 13 62.207 1.385 . 1 . . . . . 46 SER CB . 50485 1 568 . 1 . 1 46 46 SER N N 15 114.978 0.053 . 1 . . . . . 46 SER N . 50485 1 569 . 1 . 1 47 47 GLU H H 1 6.801 0.037 . 1 . . . . . 47 GLU H . 50485 1 570 . 1 . 1 47 47 GLU HA H 1 4.050 0.014 . 1 . . . . . 47 GLU HA . 50485 1 571 . 1 . 1 47 47 GLU HB2 H 1 1.985 0.014 . 2 . . . . . 47 GLU HB2 . 50485 1 572 . 1 . 1 47 47 GLU HB3 H 1 2.004 0.009 . 2 . . . . . 47 GLU HB3 . 50485 1 573 . 1 . 1 47 47 GLU HG2 H 1 2.109 0.051 . 2 . . . . . 47 GLU HG2 . 50485 1 574 . 1 . 1 47 47 GLU HG3 H 1 2.207 0.008 . 2 . . . . . 47 GLU HG3 . 50485 1 575 . 1 . 1 47 47 GLU C C 13 176.795 0.000 . 1 . . . . . 47 GLU C . 50485 1 576 . 1 . 1 47 47 GLU CA C 13 58.009 1.696 . 1 . . . . . 47 GLU CA . 50485 1 577 . 1 . 1 47 47 GLU CB C 13 29.763 1.131 . 1 . . . . . 47 GLU CB . 50485 1 578 . 1 . 1 47 47 GLU CG C 13 36.485 0.057 . 1 . . . . . 47 GLU CG . 50485 1 579 . 1 . 1 47 47 GLU N N 15 118.764 0.052 . 1 . . . . . 47 GLU N . 50485 1 580 . 1 . 1 48 48 LYS H H 1 7.144 0.037 . 1 . . . . . 48 LYS H . 50485 1 581 . 1 . 1 48 48 LYS HA H 1 4.030 0.012 . 1 . . . . . 48 LYS HA . 50485 1 582 . 1 . 1 48 48 LYS HB2 H 1 1.563 0.006 . 2 . . . . . 48 LYS HB2 . 50485 1 583 . 1 . 1 48 48 LYS HB3 H 1 1.626 0.007 . 2 . . . . . 48 LYS HB3 . 50485 1 584 . 1 . 1 48 48 LYS HG2 H 1 1.131 0.006 . 2 . . . . . 48 LYS HG2 . 50485 1 585 . 1 . 1 48 48 LYS HG3 H 1 0.540 0.006 . 2 . . . . . 48 LYS HG3 . 50485 1 586 . 1 . 1 48 48 LYS HD2 H 1 1.477 0.088 . 2 . . . . . 48 LYS HD2 . 50485 1 587 . 1 . 1 48 48 LYS HD3 H 1 1.375 0.203 . 2 . . . . . 48 LYS HD3 . 50485 1 588 . 1 . 1 48 48 LYS HE2 H 1 2.802 0.007 . 2 . . . . . 48 LYS HE2 . 50485 1 589 . 1 . 1 48 48 LYS HE3 H 1 2.738 0.006 . 2 . . . . . 48 LYS HE3 . 50485 1 590 . 1 . 1 48 48 LYS C C 13 176.701 0.000 . 1 . . . . . 48 LYS C . 50485 1 591 . 1 . 1 48 48 LYS CA C 13 58.106 1.814 . 1 . . . . . 48 LYS CA . 50485 1 592 . 1 . 1 48 48 LYS CB C 13 34.289 0.897 . 1 . . . . . 48 LYS CB . 50485 1 593 . 1 . 1 48 48 LYS CG C 13 24.962 0.043 . 1 . . . . . 48 LYS CG . 50485 1 594 . 1 . 1 48 48 LYS CD C 13 30.160 0.060 . 1 . . . . . 48 LYS CD . 50485 1 595 . 1 . 1 48 48 LYS CE C 13 41.803 0.097 . 1 . . . . . 48 LYS CE . 50485 1 596 . 1 . 1 48 48 LYS N N 15 119.519 0.051 . 1 . . . . . 48 LYS N . 50485 1 597 . 1 . 1 49 49 TYR H H 1 8.050 0.036 . 1 . . . . . 49 TYR H . 50485 1 598 . 1 . 1 49 49 TYR HA H 1 4.821 0.019 . 1 . . . . . 49 TYR HA . 50485 1 599 . 1 . 1 49 49 TYR HB2 H 1 3.068 0.007 . 2 . . . . . 49 TYR HB2 . 50485 1 600 . 1 . 1 49 49 TYR HB3 H 1 3.036 0.011 . 2 . . . . . 49 TYR HB3 . 50485 1 601 . 1 . 1 49 49 TYR HD1 H 1 7.305 0.000 . 1 . . . . . 49 TYR HD1 . 50485 1 602 . 1 . 1 49 49 TYR HD2 H 1 7.305 0.000 . 1 . . . . . 49 TYR HD2 . 50485 1 603 . 1 . 1 49 49 TYR HE1 H 1 6.887 0.000 . 1 . . . . . 49 TYR HE1 . 50485 1 604 . 1 . 1 49 49 TYR HE2 H 1 6.887 0.000 . 1 . . . . . 49 TYR HE2 . 50485 1 605 . 1 . 1 49 49 TYR C C 13 175.945 0.010 . 1 . . . . . 49 TYR C . 50485 1 606 . 1 . 1 49 49 TYR CA C 13 55.935 1.663 . 1 . . . . . 49 TYR CA . 50485 1 607 . 1 . 1 49 49 TYR CB C 13 36.536 1.695 . 1 . . . . . 49 TYR CB . 50485 1 608 . 1 . 1 49 49 TYR CD1 C 13 133.022 0.000 . 1 . . . . . 49 TYR CD1 . 50485 1 609 . 1 . 1 49 49 TYR CD2 C 13 133.022 0.000 . 1 . . . . . 49 TYR CD2 . 50485 1 610 . 1 . 1 49 49 TYR CE1 C 13 117.562 0.000 . 1 . . . . . 49 TYR CE1 . 50485 1 611 . 1 . 1 49 49 TYR CE2 C 13 117.562 0.000 . 1 . . . . . 49 TYR CE2 . 50485 1 612 . 1 . 1 49 49 TYR N N 15 118.966 0.083 . 1 . . . . . 49 TYR N . 50485 1 613 . 1 . 1 50 50 SER H H 1 7.836 0.039 . 1 . . . . . 50 SER H . 50485 1 614 . 1 . 1 50 50 SER HA H 1 4.464 0.009 . 1 . . . . . 50 SER HA . 50485 1 615 . 1 . 1 50 50 SER HB2 H 1 3.928 0.008 . 2 . . . . . 50 SER HB2 . 50485 1 616 . 1 . 1 50 50 SER HB3 H 1 4.045 0.008 . 2 . . . . . 50 SER HB3 . 50485 1 617 . 1 . 1 50 50 SER C C 13 174.867 0.000 . 1 . . . . . 50 SER C . 50485 1 618 . 1 . 1 50 50 SER CA C 13 60.262 1.494 . 1 . . . . . 50 SER CA . 50485 1 619 . 1 . 1 50 50 SER CB C 13 62.913 1.241 . 1 . . . . . 50 SER CB . 50485 1 620 . 1 . 1 50 50 SER N N 15 115.231 0.159 . 1 . . . . . 50 SER N . 50485 1 621 . 1 . 1 51 51 ASN H H 1 9.141 0.038 . 1 . . . . . 51 ASN H . 50485 1 622 . 1 . 1 51 51 ASN HA H 1 4.839 0.007 . 1 . . . . . 51 ASN HA . 50485 1 623 . 1 . 1 51 51 ASN HB2 H 1 3.002 0.008 . 2 . . . . . 51 ASN HB2 . 50485 1 624 . 1 . 1 51 51 ASN HB3 H 1 2.937 0.007 . 2 . . . . . 51 ASN HB3 . 50485 1 625 . 1 . 1 51 51 ASN HD21 H 1 6.868 0.000 . 1 . . . . . 51 ASN HD21 . 50485 1 626 . 1 . 1 51 51 ASN HD22 H 1 7.658 0.000 . 1 . . . . . 51 ASN HD22 . 50485 1 627 . 1 . 1 51 51 ASN C C 13 172.427 0.000 . 1 . . . . . 51 ASN C . 50485 1 628 . 1 . 1 51 51 ASN CA C 13 52.540 1.404 . 1 . . . . . 51 ASN CA . 50485 1 629 . 1 . 1 51 51 ASN CB C 13 37.306 1.337 . 1 . . . . . 51 ASN CB . 50485 1 630 . 1 . 1 51 51 ASN N N 15 118.562 0.059 . 1 . . . . . 51 ASN N . 50485 1 631 . 1 . 1 51 51 ASN ND2 N 15 112.875 0.012 . 1 . . . . . 51 ASN ND2 . 50485 1 632 . 1 . 1 52 52 VAL H H 1 7.518 0.036 . 1 . . . . . 52 VAL H . 50485 1 633 . 1 . 1 52 52 VAL HA H 1 4.446 0.010 . 1 . . . . . 52 VAL HA . 50485 1 634 . 1 . 1 52 52 VAL HB H 1 2.115 0.010 . 1 . . . . . 52 VAL HB . 50485 1 635 . 1 . 1 52 52 VAL HG11 H 1 0.239 0.008 . 2 . . . . . 52 VAL HG11 . 50485 1 636 . 1 . 1 52 52 VAL HG12 H 1 0.239 0.008 . 2 . . . . . 52 VAL HG12 . 50485 1 637 . 1 . 1 52 52 VAL HG13 H 1 0.239 0.008 . 2 . . . . . 52 VAL HG13 . 50485 1 638 . 1 . 1 52 52 VAL HG21 H 1 0.877 0.017 . 2 . . . . . 52 VAL HG21 . 50485 1 639 . 1 . 1 52 52 VAL HG22 H 1 0.877 0.017 . 2 . . . . . 52 VAL HG22 . 50485 1 640 . 1 . 1 52 52 VAL HG23 H 1 0.877 0.017 . 2 . . . . . 52 VAL HG23 . 50485 1 641 . 1 . 1 52 52 VAL C C 13 174.033 0.000 . 1 . . . . . 52 VAL C . 50485 1 642 . 1 . 1 52 52 VAL CA C 13 61.600 1.630 . 1 . . . . . 52 VAL CA . 50485 1 643 . 1 . 1 52 52 VAL CB C 13 34.411 1.357 . 1 . . . . . 52 VAL CB . 50485 1 644 . 1 . 1 52 52 VAL CG1 C 13 22.814 0.000 . 1 . . . . . 52 VAL CG1 . 50485 1 645 . 1 . 1 52 52 VAL CG2 C 13 22.814 0.000 . 1 . . . . . 52 VAL CG2 . 50485 1 646 . 1 . 1 52 52 VAL N N 15 121.299 0.172 . 1 . . . . . 52 VAL N . 50485 1 647 . 1 . 1 53 53 ILE H H 1 8.804 0.037 . 1 . . . . . 53 ILE H . 50485 1 648 . 1 . 1 53 53 ILE HA H 1 4.356 0.012 . 1 . . . . . 53 ILE HA . 50485 1 649 . 1 . 1 53 53 ILE HB H 1 1.908 0.007 . 1 . . . . . 53 ILE HB . 50485 1 650 . 1 . 1 53 53 ILE HG12 H 1 1.277 0.007 . 2 . . . . . 53 ILE HG12 . 50485 1 651 . 1 . 1 53 53 ILE HG13 H 1 1.436 0.006 . 2 . . . . . 53 ILE HG13 . 50485 1 652 . 1 . 1 53 53 ILE HG21 H 1 0.873 0.009 . 1 . . . . . 53 ILE HG21 . 50485 1 653 . 1 . 1 53 53 ILE HG22 H 1 0.873 0.009 . 1 . . . . . 53 ILE HG22 . 50485 1 654 . 1 . 1 53 53 ILE HG23 H 1 0.873 0.009 . 1 . . . . . 53 ILE HG23 . 50485 1 655 . 1 . 1 53 53 ILE HD11 H 1 0.866 0.003 . 1 . . . . . 53 ILE HD11 . 50485 1 656 . 1 . 1 53 53 ILE HD12 H 1 0.866 0.003 . 1 . . . . . 53 ILE HD12 . 50485 1 657 . 1 . 1 53 53 ILE HD13 H 1 0.866 0.003 . 1 . . . . . 53 ILE HD13 . 50485 1 658 . 1 . 1 53 53 ILE C C 13 173.773 0.000 . 1 . . . . . 53 ILE C . 50485 1 659 . 1 . 1 53 53 ILE CA C 13 60.608 1.707 . 1 . . . . . 53 ILE CA . 50485 1 660 . 1 . 1 53 53 ILE CB C 13 38.135 1.357 . 1 . . . . . 53 ILE CB . 50485 1 661 . 1 . 1 53 53 ILE CG1 C 13 27.981 0.108 . 1 . . . . . 53 ILE CG1 . 50485 1 662 . 1 . 1 53 53 ILE CG2 C 13 17.562 0.067 . 1 . . . . . 53 ILE CG2 . 50485 1 663 . 1 . 1 53 53 ILE CD1 C 13 13.107 0.122 . 1 . . . . . 53 ILE CD1 . 50485 1 664 . 1 . 1 53 53 ILE N N 15 127.865 0.049 . 1 . . . . . 53 ILE N . 50485 1 665 . 1 . 1 54 54 PHE H H 1 8.630 0.043 . 1 . . . . . 54 PHE H . 50485 1 666 . 1 . 1 54 54 PHE HA H 1 5.232 0.010 . 1 . . . . . 54 PHE HA . 50485 1 667 . 1 . 1 54 54 PHE HB2 H 1 2.796 0.008 . 2 . . . . . 54 PHE HB2 . 50485 1 668 . 1 . 1 54 54 PHE HB3 H 1 2.411 0.006 . 2 . . . . . 54 PHE HB3 . 50485 1 669 . 1 . 1 54 54 PHE HD1 H 1 6.652 0.000 . 1 . . . . . 54 PHE HD1 . 50485 1 670 . 1 . 1 54 54 PHE HD2 H 1 6.652 0.000 . 1 . . . . . 54 PHE HD2 . 50485 1 671 . 1 . 1 54 54 PHE HE1 H 1 6.931 0.000 . 1 . . . . . 54 PHE HE1 . 50485 1 672 . 1 . 1 54 54 PHE HE2 H 1 6.931 0.000 . 1 . . . . . 54 PHE HE2 . 50485 1 673 . 1 . 1 54 54 PHE C C 13 174.865 0.000 . 1 . . . . . 54 PHE C . 50485 1 674 . 1 . 1 54 54 PHE CA C 13 56.901 1.659 . 1 . . . . . 54 PHE CA . 50485 1 675 . 1 . 1 54 54 PHE CB C 13 40.218 1.331 . 1 . . . . . 54 PHE CB . 50485 1 676 . 1 . 1 54 54 PHE CD1 C 13 132.554 0.000 . 1 . . . . . 54 PHE CD1 . 50485 1 677 . 1 . 1 54 54 PHE CD2 C 13 132.554 0.000 . 1 . . . . . 54 PHE CD2 . 50485 1 678 . 1 . 1 54 54 PHE CE1 C 13 131.923 0.000 . 1 . . . . . 54 PHE CE1 . 50485 1 679 . 1 . 1 54 54 PHE CE2 C 13 131.923 0.000 . 1 . . . . . 54 PHE CE2 . 50485 1 680 . 1 . 1 54 54 PHE N N 15 125.983 0.116 . 1 . . . . . 54 PHE N . 50485 1 681 . 1 . 1 55 55 LEU H H 1 9.416 0.036 . 1 . . . . . 55 LEU H . 50485 1 682 . 1 . 1 55 55 LEU HA H 1 5.460 0.010 . 1 . . . . . 55 LEU HA . 50485 1 683 . 1 . 1 55 55 LEU HB2 H 1 1.714 0.007 . 2 . . . . . 55 LEU HB2 . 50485 1 684 . 1 . 1 55 55 LEU HB3 H 1 1.300 0.016 . 2 . . . . . 55 LEU HB3 . 50485 1 685 . 1 . 1 55 55 LEU HG H 1 1.500 0.006 . 1 . . . . . 55 LEU HG . 50485 1 686 . 1 . 1 55 55 LEU HD11 H 1 0.556 0.007 . 2 . . . . . 55 LEU HD11 . 50485 1 687 . 1 . 1 55 55 LEU HD12 H 1 0.556 0.007 . 2 . . . . . 55 LEU HD12 . 50485 1 688 . 1 . 1 55 55 LEU HD13 H 1 0.556 0.007 . 2 . . . . . 55 LEU HD13 . 50485 1 689 . 1 . 1 55 55 LEU HD21 H 1 0.829 0.004 . 2 . . . . . 55 LEU HD21 . 50485 1 690 . 1 . 1 55 55 LEU HD22 H 1 0.829 0.004 . 2 . . . . . 55 LEU HD22 . 50485 1 691 . 1 . 1 55 55 LEU HD23 H 1 0.829 0.004 . 2 . . . . . 55 LEU HD23 . 50485 1 692 . 1 . 1 55 55 LEU C C 13 175.065 0.000 . 1 . . . . . 55 LEU C . 50485 1 693 . 1 . 1 55 55 LEU CA C 13 53.001 1.870 . 1 . . . . . 55 LEU CA . 50485 1 694 . 1 . 1 55 55 LEU CB C 13 45.232 1.469 . 1 . . . . . 55 LEU CB . 50485 1 695 . 1 . 1 55 55 LEU CG C 13 25.788 0.062 . 1 . . . . . 55 LEU CG . 50485 1 696 . 1 . 1 55 55 LEU CD1 C 13 23.895 0.027 . 1 . . . . . 55 LEU CD1 . 50485 1 697 . 1 . 1 55 55 LEU CD2 C 13 23.666 0.000 . 1 . . . . . 55 LEU CD2 . 50485 1 698 . 1 . 1 55 55 LEU N N 15 122.484 0.147 . 1 . . . . . 55 LEU N . 50485 1 699 . 1 . 1 56 56 GLU H H 1 8.505 0.035 . 1 . . . . . 56 GLU H . 50485 1 700 . 1 . 1 56 56 GLU HA H 1 4.989 0.014 . 1 . . . . . 56 GLU HA . 50485 1 701 . 1 . 1 56 56 GLU HB2 H 1 1.845 0.008 . 2 . . . . . 56 GLU HB2 . 50485 1 702 . 1 . 1 56 56 GLU HB3 H 1 1.802 0.019 . 2 . . . . . 56 GLU HB3 . 50485 1 703 . 1 . 1 56 56 GLU HG2 H 1 1.988 0.006 . 2 . . . . . 56 GLU HG2 . 50485 1 704 . 1 . 1 56 56 GLU HG3 H 1 2.153 0.007 . 2 . . . . . 56 GLU HG3 . 50485 1 705 . 1 . 1 56 56 GLU C C 13 173.610 0.000 . 1 . . . . . 56 GLU C . 50485 1 706 . 1 . 1 56 56 GLU CA C 13 55.102 1.581 . 1 . . . . . 56 GLU CA . 50485 1 707 . 1 . 1 56 56 GLU CB C 13 33.407 1.102 . 1 . . . . . 56 GLU CB . 50485 1 708 . 1 . 1 56 56 GLU CG C 13 36.764 0.061 . 1 . . . . . 56 GLU CG . 50485 1 709 . 1 . 1 56 56 GLU N N 15 121.401 0.114 . 1 . . . . . 56 GLU N . 50485 1 710 . 1 . 1 57 57 VAL H H 1 8.475 0.037 . 1 . . . . . 57 VAL H . 50485 1 711 . 1 . 1 57 57 VAL HA H 1 3.997 0.010 . 1 . . . . . 57 VAL HA . 50485 1 712 . 1 . 1 57 57 VAL HB H 1 1.204 0.006 . 1 . . . . . 57 VAL HB . 50485 1 713 . 1 . 1 57 57 VAL HG11 H 1 0.176 0.000 . 2 . . . . . 57 VAL HG11 . 50485 1 714 . 1 . 1 57 57 VAL HG12 H 1 0.176 0.000 . 2 . . . . . 57 VAL HG12 . 50485 1 715 . 1 . 1 57 57 VAL HG13 H 1 0.176 0.000 . 2 . . . . . 57 VAL HG13 . 50485 1 716 . 1 . 1 57 57 VAL HG21 H 1 0.597 0.000 . 2 . . . . . 57 VAL HG21 . 50485 1 717 . 1 . 1 57 57 VAL HG22 H 1 0.597 0.000 . 2 . . . . . 57 VAL HG22 . 50485 1 718 . 1 . 1 57 57 VAL HG23 H 1 0.597 0.000 . 2 . . . . . 57 VAL HG23 . 50485 1 719 . 1 . 1 57 57 VAL C C 13 173.505 0.000 . 1 . . . . . 57 VAL C . 50485 1 720 . 1 . 1 57 57 VAL CA C 13 60.026 1.543 . 1 . . . . . 57 VAL CA . 50485 1 721 . 1 . 1 57 57 VAL CB C 13 33.471 1.816 . 1 . . . . . 57 VAL CB . 50485 1 722 . 1 . 1 57 57 VAL CG1 C 13 20.148 0.000 . 2 . . . . . 57 VAL CG1 . 50485 1 723 . 1 . 1 57 57 VAL CG2 C 13 21.096 0.000 . 2 . . . . . 57 VAL CG2 . 50485 1 724 . 1 . 1 57 57 VAL N N 15 125.527 0.116 . 1 . . . . . 57 VAL N . 50485 1 725 . 1 . 1 58 58 ASP H H 1 9.016 0.038 . 1 . . . . . 58 ASP H . 50485 1 726 . 1 . 1 58 58 ASP HA H 1 4.956 0.010 . 1 . . . . . 58 ASP HA . 50485 1 727 . 1 . 1 58 58 ASP HB2 H 1 2.834 0.009 . 2 . . . . . 58 ASP HB2 . 50485 1 728 . 1 . 1 58 58 ASP HB3 H 1 2.297 0.009 . 2 . . . . . 58 ASP HB3 . 50485 1 729 . 1 . 1 58 58 ASP C C 13 178.026 0.000 . 1 . . . . . 58 ASP C . 50485 1 730 . 1 . 1 58 58 ASP CA C 13 52.392 1.554 . 1 . . . . . 58 ASP CA . 50485 1 731 . 1 . 1 58 58 ASP CB C 13 41.617 1.634 . 1 . . . . . 58 ASP CB . 50485 1 732 . 1 . 1 58 58 ASP N N 15 128.642 0.048 . 1 . . . . . 58 ASP N . 50485 1 733 . 1 . 1 59 59 VAL H H 1 8.671 0.036 . 1 . . . . . 59 VAL H . 50485 1 734 . 1 . 1 59 59 VAL HA H 1 3.700 0.010 . 1 . . . . . 59 VAL HA . 50485 1 735 . 1 . 1 59 59 VAL HB H 1 2.208 0.010 . 1 . . . . . 59 VAL HB . 50485 1 736 . 1 . 1 59 59 VAL HG11 H 1 0.948 0.000 . 2 . . . . . 59 VAL HG11 . 50485 1 737 . 1 . 1 59 59 VAL HG12 H 1 0.948 0.000 . 2 . . . . . 59 VAL HG12 . 50485 1 738 . 1 . 1 59 59 VAL HG13 H 1 0.948 0.000 . 2 . . . . . 59 VAL HG13 . 50485 1 739 . 1 . 1 59 59 VAL HG21 H 1 1.047 0.000 . 2 . . . . . 59 VAL HG21 . 50485 1 740 . 1 . 1 59 59 VAL HG22 H 1 1.047 0.000 . 2 . . . . . 59 VAL HG22 . 50485 1 741 . 1 . 1 59 59 VAL HG23 H 1 1.047 0.000 . 2 . . . . . 59 VAL HG23 . 50485 1 742 . 1 . 1 59 59 VAL C C 13 175.983 0.000 . 1 . . . . . 59 VAL C . 50485 1 743 . 1 . 1 59 59 VAL CA C 13 63.908 1.536 . 1 . . . . . 59 VAL CA . 50485 1 744 . 1 . 1 59 59 VAL CB C 13 29.849 1.807 . 1 . . . . . 59 VAL CB . 50485 1 745 . 1 . 1 59 59 VAL CG1 C 13 17.683 0.000 . 2 . . . . . 59 VAL CG1 . 50485 1 746 . 1 . 1 59 59 VAL CG2 C 13 22.144 0.000 . 2 . . . . . 59 VAL CG2 . 50485 1 747 . 1 . 1 59 59 VAL N N 15 119.733 0.058 . 1 . . . . . 59 VAL N . 50485 1 748 . 1 . 1 60 60 ASP H H 1 8.300 0.038 . 1 . . . . . 60 ASP H . 50485 1 749 . 1 . 1 60 60 ASP HA H 1 4.844 0.010 . 1 . . . . . 60 ASP HA . 50485 1 750 . 1 . 1 60 60 ASP HB2 H 1 2.884 0.010 . 2 . . . . . 60 ASP HB2 . 50485 1 751 . 1 . 1 60 60 ASP HB3 H 1 2.745 0.010 . 2 . . . . . 60 ASP HB3 . 50485 1 752 . 1 . 1 60 60 ASP C C 13 177.889 0.000 . 1 . . . . . 60 ASP C . 50485 1 753 . 1 . 1 60 60 ASP CA C 13 55.694 1.532 . 1 . . . . . 60 ASP CA . 50485 1 754 . 1 . 1 60 60 ASP CB C 13 40.389 1.670 . 1 . . . . . 60 ASP CB . 50485 1 755 . 1 . 1 60 60 ASP N N 15 119.606 0.047 . 1 . . . . . 60 ASP N . 50485 1 756 . 1 . 1 61 61 ASP H H 1 8.246 0.000 . 1 . . . . . 61 ASP H . 50485 1 757 . 1 . 1 61 61 ASP HA H 1 4.637 0.010 . 1 . . . . . 61 ASP HA . 50485 1 758 . 1 . 1 61 61 ASP HB2 H 1 2.729 0.010 . 2 . . . . . 61 ASP HB2 . 50485 1 759 . 1 . 1 61 61 ASP HB3 H 1 2.885 0.009 . 2 . . . . . 61 ASP HB3 . 50485 1 760 . 1 . 1 61 61 ASP C C 13 177.470 0.000 . 1 . . . . . 61 ASP C . 50485 1 761 . 1 . 1 61 61 ASP CA C 13 55.414 1.540 . 1 . . . . . 61 ASP CA . 50485 1 762 . 1 . 1 61 61 ASP CB C 13 40.367 1.812 . 1 . . . . . 61 ASP CB . 50485 1 763 . 1 . 1 61 61 ASP N N 15 120.013 0.000 . 1 . . . . . 61 ASP N . 50485 1 764 . 1 . 1 62 62 CYS H H 1 8.144 0.037 . 1 . . . . . 62 CYS H . 50485 1 765 . 1 . 1 62 62 CYS HA H 1 4.890 0.009 . 1 . . . . . 62 CYS HA . 50485 1 766 . 1 . 1 62 62 CYS HB2 H 1 2.770 0.001 . 2 . . . . . 62 CYS HB2 . 50485 1 767 . 1 . 1 62 62 CYS HB3 H 1 2.680 0.010 . 2 . . . . . 62 CYS HB3 . 50485 1 768 . 1 . 1 62 62 CYS C C 13 174.705 0.000 . 1 . . . . . 62 CYS C . 50485 1 769 . 1 . 1 62 62 CYS CA C 13 55.749 1.505 . 1 . . . . . 62 CYS CA . 50485 1 770 . 1 . 1 62 62 CYS CB C 13 25.789 1.643 . 1 . . . . . 62 CYS CB . 50485 1 771 . 1 . 1 62 62 CYS N N 15 120.253 0.073 . 1 . . . . . 62 CYS N . 50485 1 772 . 1 . 1 63 63 GLN H H 1 8.101 0.036 . 1 . . . . . 63 GLN H . 50485 1 773 . 1 . 1 63 63 GLN HA H 1 4.180 0.010 . 1 . . . . . 63 GLN HA . 50485 1 774 . 1 . 1 63 63 GLN HB2 H 1 2.159 0.010 . 2 . . . . . 63 GLN HB2 . 50485 1 775 . 1 . 1 63 63 GLN HB3 H 1 2.153 0.016 . 2 . . . . . 63 GLN HB3 . 50485 1 776 . 1 . 1 63 63 GLN HG2 H 1 2.561 0.000 . 2 . . . . . 63 GLN HG2 . 50485 1 777 . 1 . 1 63 63 GLN HG3 H 1 2.583 0.000 . 2 . . . . . 63 GLN HG3 . 50485 1 778 . 1 . 1 63 63 GLN HE21 H 1 7.049 0.000 . 1 . . . . . 63 GLN HE21 . 50485 1 779 . 1 . 1 63 63 GLN HE22 H 1 7.624 0.000 . 1 . . . . . 63 GLN HE22 . 50485 1 780 . 1 . 1 63 63 GLN C C 13 178.180 0.000 . 1 . . . . . 63 GLN C . 50485 1 781 . 1 . 1 63 63 GLN CA C 13 58.525 1.438 . 1 . . . . . 63 GLN CA . 50485 1 782 . 1 . 1 63 63 GLN CB C 13 28.015 1.653 . 1 . . . . . 63 GLN CB . 50485 1 783 . 1 . 1 63 63 GLN CG C 13 34.156 0.003 . 1 . . . . . 63 GLN CG . 50485 1 784 . 1 . 1 63 63 GLN N N 15 122.277 0.048 . 1 . . . . . 63 GLN N . 50485 1 785 . 1 . 1 63 63 GLN NE2 N 15 112.832 0.004 . 1 . . . . . 63 GLN NE2 . 50485 1 786 . 1 . 1 64 64 ASP H H 1 8.918 0.037 . 1 . . . . . 64 ASP H . 50485 1 787 . 1 . 1 64 64 ASP HA H 1 4.357 0.010 . 1 . . . . . 64 ASP HA . 50485 1 788 . 1 . 1 64 64 ASP HB2 H 1 2.823 0.010 . 2 . . . . . 64 ASP HB2 . 50485 1 789 . 1 . 1 64 64 ASP HB3 H 1 2.670 0.010 . 2 . . . . . 64 ASP HB3 . 50485 1 790 . 1 . 1 64 64 ASP C C 13 178.040 0.000 . 1 . . . . . 64 ASP C . 50485 1 791 . 1 . 1 64 64 ASP CA C 13 55.625 1.536 . 1 . . . . . 64 ASP CA . 50485 1 792 . 1 . 1 64 64 ASP CB C 13 37.937 1.693 . 1 . . . . . 64 ASP CB . 50485 1 793 . 1 . 1 64 64 ASP N N 15 118.521 0.042 . 1 . . . . . 64 ASP N . 50485 1 794 . 1 . 1 65 65 VAL H H 1 7.698 0.037 . 1 . . . . . 65 VAL H . 50485 1 795 . 1 . 1 65 65 VAL HA H 1 3.605 0.012 . 1 . . . . . 65 VAL HA . 50485 1 796 . 1 . 1 65 65 VAL HB H 1 1.852 0.009 . 1 . . . . . 65 VAL HB . 50485 1 797 . 1 . 1 65 65 VAL HG11 H 1 0.344 0.000 . 2 . . . . . 65 VAL HG11 . 50485 1 798 . 1 . 1 65 65 VAL HG12 H 1 0.344 0.000 . 2 . . . . . 65 VAL HG12 . 50485 1 799 . 1 . 1 65 65 VAL HG13 H 1 0.344 0.000 . 2 . . . . . 65 VAL HG13 . 50485 1 800 . 1 . 1 65 65 VAL HG21 H 1 0.729 0.000 . 2 . . . . . 65 VAL HG21 . 50485 1 801 . 1 . 1 65 65 VAL HG22 H 1 0.729 0.000 . 2 . . . . . 65 VAL HG22 . 50485 1 802 . 1 . 1 65 65 VAL HG23 H 1 0.729 0.000 . 2 . . . . . 65 VAL HG23 . 50485 1 803 . 1 . 1 65 65 VAL C C 13 178.469 0.000 . 1 . . . . . 65 VAL C . 50485 1 804 . 1 . 1 65 65 VAL CA C 13 64.706 1.540 . 1 . . . . . 65 VAL CA . 50485 1 805 . 1 . 1 65 65 VAL CB C 13 30.833 1.820 . 1 . . . . . 65 VAL CB . 50485 1 806 . 1 . 1 65 65 VAL CG1 C 13 20.905 0.000 . 2 . . . . . 65 VAL CG1 . 50485 1 807 . 1 . 1 65 65 VAL CG2 C 13 22.483 0.000 . 2 . . . . . 65 VAL CG2 . 50485 1 808 . 1 . 1 65 65 VAL N N 15 121.073 0.050 . 1 . . . . . 65 VAL N . 50485 1 809 . 1 . 1 66 66 ALA H H 1 7.940 0.038 . 1 . . . . . 66 ALA H . 50485 1 810 . 1 . 1 66 66 ALA HA H 1 3.750 0.009 . 1 . . . . . 66 ALA HA . 50485 1 811 . 1 . 1 66 66 ALA HB1 H 1 1.410 0.010 . 1 . . . . . 66 ALA HB1 . 50485 1 812 . 1 . 1 66 66 ALA HB2 H 1 1.410 0.010 . 1 . . . . . 66 ALA HB2 . 50485 1 813 . 1 . 1 66 66 ALA HB3 H 1 1.410 0.010 . 1 . . . . . 66 ALA HB3 . 50485 1 814 . 1 . 1 66 66 ALA C C 13 178.487 0.000 . 1 . . . . . 66 ALA C . 50485 1 815 . 1 . 1 66 66 ALA CA C 13 54.832 1.518 . 1 . . . . . 66 ALA CA . 50485 1 816 . 1 . 1 66 66 ALA CB C 13 17.731 1.784 . 1 . . . . . 66 ALA CB . 50485 1 817 . 1 . 1 66 66 ALA N N 15 121.785 0.040 . 1 . . . . . 66 ALA N . 50485 1 818 . 1 . 1 67 67 SER H H 1 8.369 0.038 . 1 . . . . . 67 SER H . 50485 1 819 . 1 . 1 67 67 SER HA H 1 4.274 0.008 . 1 . . . . . 67 SER HA . 50485 1 820 . 1 . 1 67 67 SER HB2 H 1 4.009 0.014 . 1 . . . . . 67 SER HB2 . 50485 1 821 . 1 . 1 67 67 SER C C 13 178.787 0.000 . 1 . . . . . 67 SER C . 50485 1 822 . 1 . 1 67 67 SER CA C 13 60.396 1.512 . 1 . . . . . 67 SER CA . 50485 1 823 . 1 . 1 67 67 SER CB C 13 62.105 1.635 . 1 . . . . . 67 SER CB . 50485 1 824 . 1 . 1 67 67 SER N N 15 112.978 0.038 . 1 . . . . . 67 SER N . 50485 1 825 . 1 . 1 68 68 GLU H H 1 8.197 0.038 . 1 . . . . . 68 GLU H . 50485 1 826 . 1 . 1 68 68 GLU HA H 1 4.126 0.010 . 1 . . . . . 68 GLU HA . 50485 1 827 . 1 . 1 68 68 GLU HB2 H 1 2.114 0.010 . 2 . . . . . 68 GLU HB2 . 50485 1 828 . 1 . 1 68 68 GLU HB3 H 1 2.081 0.000 . 2 . . . . . 68 GLU HB3 . 50485 1 829 . 1 . 1 68 68 GLU HG2 H 1 2.229 0.000 . 2 . . . . . 68 GLU HG2 . 50485 1 830 . 1 . 1 68 68 GLU HG3 H 1 2.485 0.000 . 2 . . . . . 68 GLU HG3 . 50485 1 831 . 1 . 1 68 68 GLU C C 13 178.280 0.000 . 1 . . . . . 68 GLU C . 50485 1 832 . 1 . 1 68 68 GLU CA C 13 58.344 1.642 . 1 . . . . . 68 GLU CA . 50485 1 833 . 1 . 1 68 68 GLU CB C 13 28.655 1.650 . 1 . . . . . 68 GLU CB . 50485 1 834 . 1 . 1 68 68 GLU CG C 13 36.849 0.007 . 1 . . . . . 68 GLU CG . 50485 1 835 . 1 . 1 68 68 GLU N N 15 122.957 0.049 . 1 . . . . . 68 GLU N . 50485 1 836 . 1 . 1 69 69 SER H H 1 7.672 0.038 . 1 . . . . . 69 SER H . 50485 1 837 . 1 . 1 69 69 SER HA H 1 4.507 0.011 . 1 . . . . . 69 SER HA . 50485 1 838 . 1 . 1 69 69 SER HB2 H 1 3.842 0.011 . 2 . . . . . 69 SER HB2 . 50485 1 839 . 1 . 1 69 69 SER HB3 H 1 3.491 0.011 . 2 . . . . . 69 SER HB3 . 50485 1 840 . 1 . 1 69 69 SER C C 13 172.881 0.000 . 1 . . . . . 69 SER C . 50485 1 841 . 1 . 1 69 69 SER CA C 13 58.919 1.532 . 1 . . . . . 69 SER CA . 50485 1 842 . 1 . 1 69 69 SER CB C 13 62.877 1.610 . 1 . . . . . 69 SER CB . 50485 1 843 . 1 . 1 69 69 SER N N 15 113.412 0.095 . 1 . . . . . 69 SER N . 50485 1 844 . 1 . 1 70 70 GLU H H 1 7.720 0.036 . 1 . . . . . 70 GLU H . 50485 1 845 . 1 . 1 70 70 GLU HA H 1 3.804 0.011 . 1 . . . . . 70 GLU HA . 50485 1 846 . 1 . 1 70 70 GLU HB2 H 1 2.069 0.014 . 2 . . . . . 70 GLU HB2 . 50485 1 847 . 1 . 1 70 70 GLU HB3 H 1 2.125 0.025 . 2 . . . . . 70 GLU HB3 . 50485 1 848 . 1 . 1 70 70 GLU HG2 H 1 2.072 0.008 . 2 . . . . . 70 GLU HG2 . 50485 1 849 . 1 . 1 70 70 GLU HG3 H 1 2.139 0.009 . 2 . . . . . 70 GLU HG3 . 50485 1 850 . 1 . 1 70 70 GLU C C 13 175.187 0.039 . 1 . . . . . 70 GLU C . 50485 1 851 . 1 . 1 70 70 GLU CA C 13 56.299 1.535 . 1 . . . . . 70 GLU CA . 50485 1 852 . 1 . 1 70 70 GLU CB C 13 26.460 1.663 . 1 . . . . . 70 GLU CB . 50485 1 853 . 1 . 1 70 70 GLU CG C 13 36.921 0.012 . 1 . . . . . 70 GLU CG . 50485 1 854 . 1 . 1 70 70 GLU N N 15 116.682 0.044 . 1 . . . . . 70 GLU N . 50485 1 855 . 1 . 1 71 71 VAL H H 1 7.412 0.041 . 1 . . . . . 71 VAL H . 50485 1 856 . 1 . 1 71 71 VAL HA H 1 3.617 0.017 . 1 . . . . . 71 VAL HA . 50485 1 857 . 1 . 1 71 71 VAL HB H 1 1.502 0.014 . 1 . . . . . 71 VAL HB . 50485 1 858 . 1 . 1 71 71 VAL HG11 H 1 -0.082 0.023 . 2 . . . . . 71 VAL HG11 . 50485 1 859 . 1 . 1 71 71 VAL HG12 H 1 -0.082 0.023 . 2 . . . . . 71 VAL HG12 . 50485 1 860 . 1 . 1 71 71 VAL HG13 H 1 -0.082 0.023 . 2 . . . . . 71 VAL HG13 . 50485 1 861 . 1 . 1 71 71 VAL HG21 H 1 0.540 0.006 . 2 . . . . . 71 VAL HG21 . 50485 1 862 . 1 . 1 71 71 VAL HG22 H 1 0.540 0.006 . 2 . . . . . 71 VAL HG22 . 50485 1 863 . 1 . 1 71 71 VAL HG23 H 1 0.540 0.006 . 2 . . . . . 71 VAL HG23 . 50485 1 864 . 1 . 1 71 71 VAL C C 13 176.431 0.000 . 1 . . . . . 71 VAL C . 50485 1 865 . 1 . 1 71 71 VAL CA C 13 64.184 1.775 . 1 . . . . . 71 VAL CA . 50485 1 866 . 1 . 1 71 71 VAL CB C 13 30.947 1.380 . 1 . . . . . 71 VAL CB . 50485 1 867 . 1 . 1 71 71 VAL CG1 C 13 20.972 0.122 . 1 . . . . . 71 VAL CG1 . 50485 1 868 . 1 . 1 71 71 VAL CG2 C 13 20.972 0.122 . 1 . . . . . 71 VAL CG2 . 50485 1 869 . 1 . 1 71 71 VAL N N 15 118.016 0.081 . 1 . . . . . 71 VAL N . 50485 1 870 . 1 . 1 72 72 LYS H H 1 8.699 0.036 . 1 . . . . . 72 LYS H . 50485 1 871 . 1 . 1 72 72 LYS HA H 1 4.450 0.010 . 1 . . . . . 72 LYS HA . 50485 1 872 . 1 . 1 72 72 LYS HB2 H 1 1.893 0.010 . 2 . . . . . 72 LYS HB2 . 50485 1 873 . 1 . 1 72 72 LYS HB3 H 1 1.663 0.017 . 2 . . . . . 72 LYS HB3 . 50485 1 874 . 1 . 1 72 72 LYS HG2 H 1 1.321 0.000 . 2 . . . . . 72 LYS HG2 . 50485 1 875 . 1 . 1 72 72 LYS HG3 H 1 1.363 0.000 . 2 . . . . . 72 LYS HG3 . 50485 1 876 . 1 . 1 72 72 LYS HD2 H 1 1.595 0.000 . 2 . . . . . 72 LYS HD2 . 50485 1 877 . 1 . 1 72 72 LYS HD3 H 1 1.647 0.000 . 2 . . . . . 72 LYS HD3 . 50485 1 878 . 1 . 1 72 72 LYS HE2 H 1 2.933 0.000 . 2 . . . . . 72 LYS HE2 . 50485 1 879 . 1 . 1 72 72 LYS HE3 H 1 2.995 0.000 . 2 . . . . . 72 LYS HE3 . 50485 1 880 . 1 . 1 72 72 LYS C C 13 175.816 0.000 . 1 . . . . . 72 LYS C . 50485 1 881 . 1 . 1 72 72 LYS CA C 13 55.641 1.437 . 1 . . . . . 72 LYS CA . 50485 1 882 . 1 . 1 72 72 LYS CB C 13 33.779 1.633 . 1 . . . . . 72 LYS CB . 50485 1 883 . 1 . 1 72 72 LYS CG C 13 24.398 0.002 . 1 . . . . . 72 LYS CG . 50485 1 884 . 1 . 1 72 72 LYS CD C 13 28.789 0.001 . 1 . . . . . 72 LYS CD . 50485 1 885 . 1 . 1 72 72 LYS CE C 13 41.520 0.000 . 1 . . . . . 72 LYS CE . 50485 1 886 . 1 . 1 72 72 LYS N N 15 126.005 0.366 . 1 . . . . . 72 LYS N . 50485 1 887 . 1 . 1 73 73 SER H H 1 7.526 0.037 . 1 . . . . . 73 SER H . 50485 1 888 . 1 . 1 73 73 SER HA H 1 4.577 0.009 . 1 . . . . . 73 SER HA . 50485 1 889 . 1 . 1 73 73 SER HB2 H 1 3.725 0.014 . 2 . . . . . 73 SER HB2 . 50485 1 890 . 1 . 1 73 73 SER HB3 H 1 3.753 0.009 . 2 . . . . . 73 SER HB3 . 50485 1 891 . 1 . 1 73 73 SER C C 13 172.641 0.000 . 1 . . . . . 73 SER C . 50485 1 892 . 1 . 1 73 73 SER CA C 13 57.664 1.632 . 1 . . . . . 73 SER CA . 50485 1 893 . 1 . 1 73 73 SER CB C 13 64.240 1.266 . 1 . . . . . 73 SER CB . 50485 1 894 . 1 . 1 73 73 SER N N 15 114.030 0.051 . 1 . . . . . 73 SER N . 50485 1 895 . 1 . 1 74 74 MET H H 1 8.770 0.037 . 1 . . . . . 74 MET H . 50485 1 896 . 1 . 1 74 74 MET HA H 1 5.559 0.000 . 1 . . . . . 74 MET HA . 50485 1 897 . 1 . 1 74 74 MET HE1 H 1 1.813 0.000 . 1 . . . . . 74 MET HE1 . 50485 1 898 . 1 . 1 74 74 MET HE2 H 1 1.813 0.000 . 1 . . . . . 74 MET HE2 . 50485 1 899 . 1 . 1 74 74 MET HE3 H 1 1.813 0.000 . 1 . . . . . 74 MET HE3 . 50485 1 900 . 1 . 1 74 74 MET CA C 13 52.624 0.017 . 1 . . . . . 74 MET CA . 50485 1 901 . 1 . 1 74 74 MET CE C 13 18.245 0.000 . 1 . . . . . 74 MET CE . 50485 1 902 . 1 . 1 74 74 MET N N 15 122.108 0.067 . 1 . . . . . 74 MET N . 50485 1 903 . 1 . 1 75 75 PRO HA H 1 5.067 0.012 . 1 . . . . . 75 PRO HA . 50485 1 904 . 1 . 1 75 75 PRO HB2 H 1 1.418 0.005 . 2 . . . . . 75 PRO HB2 . 50485 1 905 . 1 . 1 75 75 PRO HB3 H 1 2.118 0.016 . 2 . . . . . 75 PRO HB3 . 50485 1 906 . 1 . 1 75 75 PRO HG2 H 1 1.814 0.008 . 2 . . . . . 75 PRO HG2 . 50485 1 907 . 1 . 1 75 75 PRO HG3 H 1 1.665 0.005 . 2 . . . . . 75 PRO HG3 . 50485 1 908 . 1 . 1 75 75 PRO HD2 H 1 3.470 0.004 . 2 . . . . . 75 PRO HD2 . 50485 1 909 . 1 . 1 75 75 PRO HD3 H 1 3.139 0.006 . 2 . . . . . 75 PRO HD3 . 50485 1 910 . 1 . 1 75 75 PRO C C 13 176.386 0.000 . 1 . . . . . 75 PRO C . 50485 1 911 . 1 . 1 75 75 PRO CA C 13 63.396 1.573 . 1 . . . . . 75 PRO CA . 50485 1 912 . 1 . 1 75 75 PRO CB C 13 33.508 1.393 . 1 . . . . . 75 PRO CB . 50485 1 913 . 1 . 1 75 75 PRO CG C 13 24.918 0.074 . 1 . . . . . 75 PRO CG . 50485 1 914 . 1 . 1 75 75 PRO CD C 13 49.995 0.056 . 1 . . . . . 75 PRO CD . 50485 1 915 . 1 . 1 76 76 THR H H 1 8.083 0.037 . 1 . . . . . 76 THR H . 50485 1 916 . 1 . 1 76 76 THR HA H 1 4.594 0.009 . 1 . . . . . 76 THR HA . 50485 1 917 . 1 . 1 76 76 THR HB H 1 3.801 0.007 . 1 . . . . . 76 THR HB . 50485 1 918 . 1 . 1 76 76 THR HG21 H 1 1.142 0.010 . 1 . . . . . 76 THR HG21 . 50485 1 919 . 1 . 1 76 76 THR HG22 H 1 1.142 0.010 . 1 . . . . . 76 THR HG22 . 50485 1 920 . 1 . 1 76 76 THR HG23 H 1 1.142 0.010 . 1 . . . . . 76 THR HG23 . 50485 1 921 . 1 . 1 76 76 THR C C 13 170.447 0.015 . 1 . . . . . 76 THR C . 50485 1 922 . 1 . 1 76 76 THR CA C 13 62.431 1.992 . 1 . . . . . 76 THR CA . 50485 1 923 . 1 . 1 76 76 THR CB C 13 71.998 1.654 . 1 . . . . . 76 THR CB . 50485 1 924 . 1 . 1 76 76 THR CG2 C 13 21.246 0.000 . 1 . . . . . 76 THR CG2 . 50485 1 925 . 1 . 1 76 76 THR N N 15 116.669 0.076 . 1 . . . . . 76 THR N . 50485 1 926 . 1 . 1 77 77 PHE H H 1 8.907 0.038 . 1 . . . . . 77 PHE H . 50485 1 927 . 1 . 1 77 77 PHE HA H 1 5.723 0.011 . 1 . . . . . 77 PHE HA . 50485 1 928 . 1 . 1 77 77 PHE HB2 H 1 2.277 0.008 . 2 . . . . . 77 PHE HB2 . 50485 1 929 . 1 . 1 77 77 PHE HB3 H 1 2.131 0.011 . 2 . . . . . 77 PHE HB3 . 50485 1 930 . 1 . 1 77 77 PHE HD1 H 1 6.604 0.000 . 1 . . . . . 77 PHE HD1 . 50485 1 931 . 1 . 1 77 77 PHE HD2 H 1 6.604 0.000 . 1 . . . . . 77 PHE HD2 . 50485 1 932 . 1 . 1 77 77 PHE HE1 H 1 7.362 0.000 . 1 . . . . . 77 PHE HE1 . 50485 1 933 . 1 . 1 77 77 PHE HE2 H 1 7.362 0.000 . 1 . . . . . 77 PHE HE2 . 50485 1 934 . 1 . 1 77 77 PHE C C 13 175.259 0.000 . 1 . . . . . 77 PHE C . 50485 1 935 . 1 . 1 77 77 PHE CA C 13 55.768 1.478 . 1 . . . . . 77 PHE CA . 50485 1 936 . 1 . 1 77 77 PHE CB C 13 40.378 1.563 . 1 . . . . . 77 PHE CB . 50485 1 937 . 1 . 1 77 77 PHE CD1 C 13 132.510 0.000 . 1 . . . . . 77 PHE CD1 . 50485 1 938 . 1 . 1 77 77 PHE CD2 C 13 132.510 0.000 . 1 . . . . . 77 PHE CD2 . 50485 1 939 . 1 . 1 77 77 PHE CE1 C 13 130.950 0.000 . 1 . . . . . 77 PHE CE1 . 50485 1 940 . 1 . 1 77 77 PHE CE2 C 13 130.950 0.000 . 1 . . . . . 77 PHE CE2 . 50485 1 941 . 1 . 1 77 77 PHE N N 15 125.114 0.092 . 1 . . . . . 77 PHE N . 50485 1 942 . 1 . 1 78 78 GLN H H 1 8.733 0.038 . 1 . . . . . 78 GLN H . 50485 1 943 . 1 . 1 78 78 GLN HA H 1 5.037 0.012 . 1 . . . . . 78 GLN HA . 50485 1 944 . 1 . 1 78 78 GLN HB2 H 1 1.953 0.007 . 2 . . . . . 78 GLN HB2 . 50485 1 945 . 1 . 1 78 78 GLN HB3 H 1 2.151 0.000 . 1 . . . . . 78 GLN HB3 . 50485 1 946 . 1 . 1 78 78 GLN HG2 H 1 2.413 0.010 . 2 . . . . . 78 GLN HG2 . 50485 1 947 . 1 . 1 78 78 GLN HG3 H 1 1.951 0.000 . 2 . . . . . 78 GLN HG3 . 50485 1 948 . 1 . 1 78 78 GLN HE21 H 1 6.505 0.001 . 1 . . . . . 78 GLN HE21 . 50485 1 949 . 1 . 1 78 78 GLN HE22 H 1 6.918 0.000 . 1 . . . . . 78 GLN HE22 . 50485 1 950 . 1 . 1 78 78 GLN C C 13 173.150 0.000 . 1 . . . . . 78 GLN C . 50485 1 951 . 1 . 1 78 78 GLN CA C 13 54.711 1.568 . 1 . . . . . 78 GLN CA . 50485 1 952 . 1 . 1 78 78 GLN CB C 13 33.110 1.174 . 1 . . . . . 78 GLN CB . 50485 1 953 . 1 . 1 78 78 GLN CG C 13 34.881 0.065 . 1 . . . . . 78 GLN CG . 50485 1 954 . 1 . 1 78 78 GLN N N 15 118.729 0.091 . 1 . . . . . 78 GLN N . 50485 1 955 . 1 . 1 78 78 GLN NE2 N 15 106.701 0.027 . 1 . . . . . 78 GLN NE2 . 50485 1 956 . 1 . 1 79 79 PHE H H 1 8.042 0.036 . 1 . . . . . 79 PHE H . 50485 1 957 . 1 . 1 79 79 PHE HA H 1 5.546 0.009 . 1 . . . . . 79 PHE HA . 50485 1 958 . 1 . 1 79 79 PHE HB2 H 1 2.628 0.008 . 2 . . . . . 79 PHE HB2 . 50485 1 959 . 1 . 1 79 79 PHE HB3 H 1 2.491 0.009 . 2 . . . . . 79 PHE HB3 . 50485 1 960 . 1 . 1 79 79 PHE HD1 H 1 6.943 0.000 . 1 . . . . . 79 PHE HD1 . 50485 1 961 . 1 . 1 79 79 PHE HD2 H 1 6.943 0.000 . 1 . . . . . 79 PHE HD2 . 50485 1 962 . 1 . 1 79 79 PHE HE1 H 1 7.518 0.000 . 1 . . . . . 79 PHE HE1 . 50485 1 963 . 1 . 1 79 79 PHE HE2 H 1 7.518 0.000 . 1 . . . . . 79 PHE HE2 . 50485 1 964 . 1 . 1 79 79 PHE C C 13 174.841 0.000 . 1 . . . . . 79 PHE C . 50485 1 965 . 1 . 1 79 79 PHE CA C 13 55.955 1.633 . 1 . . . . . 79 PHE CA . 50485 1 966 . 1 . 1 79 79 PHE CB C 13 41.244 1.237 . 1 . . . . . 79 PHE CB . 50485 1 967 . 1 . 1 79 79 PHE CD1 C 13 131.307 0.000 . 1 . . . . . 79 PHE CD1 . 50485 1 968 . 1 . 1 79 79 PHE CD2 C 13 131.307 0.000 . 1 . . . . . 79 PHE CD2 . 50485 1 969 . 1 . 1 79 79 PHE CE1 C 13 132.021 0.000 . 1 . . . . . 79 PHE CE1 . 50485 1 970 . 1 . 1 79 79 PHE CE2 C 13 132.021 0.000 . 1 . . . . . 79 PHE CE2 . 50485 1 971 . 1 . 1 79 79 PHE N N 15 119.559 0.059 . 1 . . . . . 79 PHE N . 50485 1 972 . 1 . 1 80 80 PHE H H 1 10.002 0.037 . 1 . . . . . 80 PHE H . 50485 1 973 . 1 . 1 80 80 PHE HA H 1 5.609 0.010 . 1 . . . . . 80 PHE HA . 50485 1 974 . 1 . 1 80 80 PHE HB2 H 1 2.641 0.011 . 2 . . . . . 80 PHE HB2 . 50485 1 975 . 1 . 1 80 80 PHE HB3 H 1 2.713 0.005 . 2 . . . . . 80 PHE HB3 . 50485 1 976 . 1 . 1 80 80 PHE HD1 H 1 6.762 0.000 . 1 . . . . . 80 PHE HD1 . 50485 1 977 . 1 . 1 80 80 PHE HD2 H 1 6.762 0.000 . 1 . . . . . 80 PHE HD2 . 50485 1 978 . 1 . 1 80 80 PHE HZ H 1 6.730 0.000 . 1 . . . . . 80 PHE HZ . 50485 1 979 . 1 . 1 80 80 PHE C C 13 174.768 0.000 . 1 . . . . . 80 PHE C . 50485 1 980 . 1 . 1 80 80 PHE CA C 13 56.801 1.680 . 1 . . . . . 80 PHE CA . 50485 1 981 . 1 . 1 80 80 PHE CB C 13 44.031 1.264 . 1 . . . . . 80 PHE CB . 50485 1 982 . 1 . 1 80 80 PHE CD1 C 13 131.168 0.000 . 1 . . . . . 80 PHE CD1 . 50485 1 983 . 1 . 1 80 80 PHE CD2 C 13 131.168 0.000 . 1 . . . . . 80 PHE CD2 . 50485 1 984 . 1 . 1 80 80 PHE CZ C 13 127.917 0.000 . 1 . . . . . 80 PHE CZ . 50485 1 985 . 1 . 1 80 80 PHE N N 15 122.338 0.055 . 1 . . . . . 80 PHE N . 50485 1 986 . 1 . 1 81 81 LYS H H 1 8.877 0.037 . 1 . . . . . 81 LYS H . 50485 1 987 . 1 . 1 81 81 LYS HA H 1 4.625 0.012 . 1 . . . . . 81 LYS HA . 50485 1 988 . 1 . 1 81 81 LYS HB2 H 1 1.688 0.006 . 2 . . . . . 81 LYS HB2 . 50485 1 989 . 1 . 1 81 81 LYS HB3 H 1 1.738 0.007 . 2 . . . . . 81 LYS HB3 . 50485 1 990 . 1 . 1 81 81 LYS HG2 H 1 1.427 0.006 . 2 . . . . . 81 LYS HG2 . 50485 1 991 . 1 . 1 81 81 LYS HG3 H 1 1.679 0.011 . 2 . . . . . 81 LYS HG3 . 50485 1 992 . 1 . 1 81 81 LYS HD2 H 1 1.659 0.012 . 2 . . . . . 81 LYS HD2 . 50485 1 993 . 1 . 1 81 81 LYS HD3 H 1 1.785 0.011 . 2 . . . . . 81 LYS HD3 . 50485 1 994 . 1 . 1 81 81 LYS HE2 H 1 3.053 0.006 . 2 . . . . . 81 LYS HE2 . 50485 1 995 . 1 . 1 81 81 LYS HE3 H 1 2.914 0.011 . 2 . . . . . 81 LYS HE3 . 50485 1 996 . 1 . 1 81 81 LYS C C 13 176.623 0.000 . 1 . . . . . 81 LYS C . 50485 1 997 . 1 . 1 81 81 LYS CA C 13 56.388 1.136 . 1 . . . . . 81 LYS CA . 50485 1 998 . 1 . 1 81 81 LYS CB C 13 36.282 1.014 . 1 . . . . . 81 LYS CB . 50485 1 999 . 1 . 1 81 81 LYS CG C 13 25.183 0.053 . 1 . . . . . 81 LYS CG . 50485 1 1000 . 1 . 1 81 81 LYS CD C 13 29.554 0.050 . 1 . . . . . 81 LYS CD . 50485 1 1001 . 1 . 1 81 81 LYS CE C 13 42.451 0.146 . 1 . . . . . 81 LYS CE . 50485 1 1002 . 1 . 1 81 81 LYS N N 15 118.317 0.064 . 1 . . . . . 81 LYS N . 50485 1 1003 . 1 . 1 82 82 LYS H H 1 10.166 0.038 . 1 . . . . . 82 LYS H . 50485 1 1004 . 1 . 1 82 82 LYS HA H 1 4.007 0.000 . 1 . . . . . 82 LYS HA . 50485 1 1005 . 1 . 1 82 82 LYS HB2 H 1 2.120 0.008 . 2 . . . . . 82 LYS HB2 . 50485 1 1006 . 1 . 1 82 82 LYS HB3 H 1 1.829 0.010 . 2 . . . . . 82 LYS HB3 . 50485 1 1007 . 1 . 1 82 82 LYS HG2 H 1 1.403 0.000 . 2 . . . . . 82 LYS HG2 . 50485 1 1008 . 1 . 1 82 82 LYS HG3 H 1 1.490 0.000 . 2 . . . . . 82 LYS HG3 . 50485 1 1009 . 1 . 1 82 82 LYS HD2 H 1 1.609 0.000 . 2 . . . . . 82 LYS HD2 . 50485 1 1010 . 1 . 1 82 82 LYS HD3 H 1 1.744 0.000 . 2 . . . . . 82 LYS HD3 . 50485 1 1011 . 1 . 1 82 82 LYS HE2 H 1 3.049 0.000 . 2 . . . . . 82 LYS HE2 . 50485 1 1012 . 1 . 1 82 82 LYS HE3 H 1 2.976 0.000 . 2 . . . . . 82 LYS HE3 . 50485 1 1013 . 1 . 1 82 82 LYS C C 13 177.249 0.000 . 1 . . . . . 82 LYS C . 50485 1 1014 . 1 . 1 82 82 LYS CA C 13 56.190 1.571 . 1 . . . . . 82 LYS CA . 50485 1 1015 . 1 . 1 82 82 LYS CB C 13 28.881 1.864 . 1 . . . . . 82 LYS CB . 50485 1 1016 . 1 . 1 82 82 LYS CG C 13 25.676 0.003 . 1 . . . . . 82 LYS CG . 50485 1 1017 . 1 . 1 82 82 LYS CD C 13 29.072 0.000 . 1 . . . . . 82 LYS CD . 50485 1 1018 . 1 . 1 82 82 LYS CE C 13 42.059 0.000 . 1 . . . . . 82 LYS CE . 50485 1 1019 . 1 . 1 82 82 LYS N N 15 128.613 0.086 . 1 . . . . . 82 LYS N . 50485 1 1020 . 1 . 1 83 83 GLY H H 1 9.369 0.036 . 1 . . . . . 83 GLY H . 50485 1 1021 . 1 . 1 83 83 GLY HA2 H 1 4.205 0.010 . 2 . . . . . 83 GLY HA2 . 50485 1 1022 . 1 . 1 83 83 GLY HA3 H 1 3.370 0.007 . 2 . . . . . 83 GLY HA3 . 50485 1 1023 . 1 . 1 83 83 GLY C C 13 173.219 0.000 . 1 . . . . . 83 GLY C . 50485 1 1024 . 1 . 1 83 83 GLY CA C 13 46.155 1.626 . 1 . . . . . 83 GLY CA . 50485 1 1025 . 1 . 1 83 83 GLY N N 15 104.468 0.076 . 1 . . . . . 83 GLY N . 50485 1 1026 . 1 . 1 84 84 GLN H H 1 7.801 0.036 . 1 . . . . . 84 GLN H . 50485 1 1027 . 1 . 1 84 84 GLN HA H 1 4.749 0.014 . 1 . . . . . 84 GLN HA . 50485 1 1028 . 1 . 1 84 84 GLN HB2 H 1 2.005 0.008 . 2 . . . . . 84 GLN HB2 . 50485 1 1029 . 1 . 1 84 84 GLN HB3 H 1 2.152 0.008 . 2 . . . . . 84 GLN HB3 . 50485 1 1030 . 1 . 1 84 84 GLN HG2 H 1 2.397 0.010 . 2 . . . . . 84 GLN HG2 . 50485 1 1031 . 1 . 1 84 84 GLN HG3 H 1 2.362 0.007 . 2 . . . . . 84 GLN HG3 . 50485 1 1032 . 1 . 1 84 84 GLN HE21 H 1 7.033 0.003 . 1 . . . . . 84 GLN HE21 . 50485 1 1033 . 1 . 1 84 84 GLN HE22 H 1 7.732 0.000 . 1 . . . . . 84 GLN HE22 . 50485 1 1034 . 1 . 1 84 84 GLN C C 13 174.629 0.015 . 1 . . . . . 84 GLN C . 50485 1 1035 . 1 . 1 84 84 GLN CA C 13 53.589 0.100 . 1 . . . . . 84 GLN CA . 50485 1 1036 . 1 . 1 84 84 GLN CB C 13 31.002 1.274 . 1 . . . . . 84 GLN CB . 50485 1 1037 . 1 . 1 84 84 GLN CG C 13 33.569 0.074 . 1 . . . . . 84 GLN CG . 50485 1 1038 . 1 . 1 84 84 GLN N N 15 118.794 0.043 . 1 . . . . . 84 GLN N . 50485 1 1039 . 1 . 1 84 84 GLN NE2 N 15 113.260 0.007 . 1 . . . . . 84 GLN NE2 . 50485 1 1040 . 1 . 1 85 85 LYS H H 1 8.983 0.037 . 1 . . . . . 85 LYS H . 50485 1 1041 . 1 . 1 85 85 LYS HA H 1 4.016 0.018 . 1 . . . . . 85 LYS HA . 50485 1 1042 . 1 . 1 85 85 LYS HB2 H 1 1.422 0.009 . 2 . . . . . 85 LYS HB2 . 50485 1 1043 . 1 . 1 85 85 LYS HB3 H 1 1.803 0.010 . 2 . . . . . 85 LYS HB3 . 50485 1 1044 . 1 . 1 85 85 LYS HG2 H 1 0.524 0.007 . 2 . . . . . 85 LYS HG2 . 50485 1 1045 . 1 . 1 85 85 LYS HG3 H 1 1.104 0.007 . 2 . . . . . 85 LYS HG3 . 50485 1 1046 . 1 . 1 85 85 LYS HD2 H 1 1.624 0.006 . 2 . . . . . 85 LYS HD2 . 50485 1 1047 . 1 . 1 85 85 LYS HD3 H 1 1.678 0.000 . 2 . . . . . 85 LYS HD3 . 50485 1 1048 . 1 . 1 85 85 LYS HE2 H 1 2.729 0.007 . 2 . . . . . 85 LYS HE2 . 50485 1 1049 . 1 . 1 85 85 LYS HE3 H 1 2.803 0.008 . 2 . . . . . 85 LYS HE3 . 50485 1 1050 . 1 . 1 85 85 LYS C C 13 177.474 0.000 . 1 . . . . . 85 LYS C . 50485 1 1051 . 1 . 1 85 85 LYS CA C 13 57.760 1.654 . 1 . . . . . 85 LYS CA . 50485 1 1052 . 1 . 1 85 85 LYS CB C 13 31.347 1.082 . 1 . . . . . 85 LYS CB . 50485 1 1053 . 1 . 1 85 85 LYS CG C 13 24.960 0.044 . 1 . . . . . 85 LYS CG . 50485 1 1054 . 1 . 1 85 85 LYS CD C 13 29.206 0.061 . 1 . . . . . 85 LYS CD . 50485 1 1055 . 1 . 1 85 85 LYS CE C 13 42.208 0.052 . 1 . . . . . 85 LYS CE . 50485 1 1056 . 1 . 1 85 85 LYS N N 15 126.154 0.190 . 1 . . . . . 85 LYS N . 50485 1 1057 . 1 . 1 86 86 VAL H H 1 9.213 0.037 . 1 . . . . . 86 VAL H . 50485 1 1058 . 1 . 1 86 86 VAL HA H 1 4.579 0.010 . 1 . . . . . 86 VAL HA . 50485 1 1059 . 1 . 1 86 86 VAL HB H 1 2.462 0.006 . 1 . . . . . 86 VAL HB . 50485 1 1060 . 1 . 1 86 86 VAL HG11 H 1 0.973 0.012 . 2 . . . . . 86 VAL HG11 . 50485 1 1061 . 1 . 1 86 86 VAL HG12 H 1 0.973 0.012 . 2 . . . . . 86 VAL HG12 . 50485 1 1062 . 1 . 1 86 86 VAL HG13 H 1 0.973 0.012 . 2 . . . . . 86 VAL HG13 . 50485 1 1063 . 1 . 1 86 86 VAL HG21 H 1 0.659 0.009 . 2 . . . . . 86 VAL HG21 . 50485 1 1064 . 1 . 1 86 86 VAL HG22 H 1 0.659 0.009 . 2 . . . . . 86 VAL HG22 . 50485 1 1065 . 1 . 1 86 86 VAL HG23 H 1 0.659 0.009 . 2 . . . . . 86 VAL HG23 . 50485 1 1066 . 1 . 1 86 86 VAL C C 13 175.508 0.000 . 1 . . . . . 86 VAL C . 50485 1 1067 . 1 . 1 86 86 VAL CA C 13 61.326 1.704 . 1 . . . . . 86 VAL CA . 50485 1 1068 . 1 . 1 86 86 VAL CB C 13 32.244 1.415 . 1 . . . . . 86 VAL CB . 50485 1 1069 . 1 . 1 86 86 VAL CG1 C 13 19.136 0.000 . 1 . . . . . 86 VAL CG1 . 50485 1 1070 . 1 . 1 86 86 VAL CG2 C 13 19.338 0.058 . 1 . . . . . 86 VAL CG2 . 50485 1 1071 . 1 . 1 86 86 VAL N N 15 121.460 0.047 . 1 . . . . . 86 VAL N . 50485 1 1072 . 1 . 1 87 87 GLY H H 1 7.505 0.036 . 1 . . . . . 87 GLY H . 50485 1 1073 . 1 . 1 87 87 GLY HA2 H 1 4.315 0.008 . 2 . . . . . 87 GLY HA2 . 50485 1 1074 . 1 . 1 87 87 GLY HA3 H 1 3.758 0.011 . 2 . . . . . 87 GLY HA3 . 50485 1 1075 . 1 . 1 87 87 GLY C C 13 171.430 0.000 . 1 . . . . . 87 GLY C . 50485 1 1076 . 1 . 1 87 87 GLY CA C 13 45.990 1.374 . 1 . . . . . 87 GLY CA . 50485 1 1077 . 1 . 1 87 87 GLY N N 15 107.979 0.038 . 1 . . . . . 87 GLY N . 50485 1 1078 . 1 . 1 88 88 GLU H H 1 8.620 0.037 . 1 . . . . . 88 GLU H . 50485 1 1079 . 1 . 1 88 88 GLU HA H 1 5.701 0.011 . 1 . . . . . 88 GLU HA . 50485 1 1080 . 1 . 1 88 88 GLU HB2 H 1 2.184 0.009 . 2 . . . . . 88 GLU HB2 . 50485 1 1081 . 1 . 1 88 88 GLU HB3 H 1 2.365 0.007 . 2 . . . . . 88 GLU HB3 . 50485 1 1082 . 1 . 1 88 88 GLU HG2 H 1 2.152 0.006 . 2 . . . . . 88 GLU HG2 . 50485 1 1083 . 1 . 1 88 88 GLU HG3 H 1 2.216 0.006 . 2 . . . . . 88 GLU HG3 . 50485 1 1084 . 1 . 1 88 88 GLU C C 13 174.631 0.000 . 1 . . . . . 88 GLU C . 50485 1 1085 . 1 . 1 88 88 GLU CA C 13 56.660 1.750 . 1 . . . . . 88 GLU CA . 50485 1 1086 . 1 . 1 88 88 GLU CB C 13 32.809 1.139 . 1 . . . . . 88 GLU CB . 50485 1 1087 . 1 . 1 88 88 GLU CG C 13 35.484 0.069 . 1 . . . . . 88 GLU CG . 50485 1 1088 . 1 . 1 88 88 GLU N N 15 118.094 0.033 . 1 . . . . . 88 GLU N . 50485 1 1089 . 1 . 1 89 89 PHE H H 1 9.044 0.036 . 1 . . . . . 89 PHE H . 50485 1 1090 . 1 . 1 89 89 PHE HA H 1 5.074 0.010 . 1 . . . . . 89 PHE HA . 50485 1 1091 . 1 . 1 89 89 PHE HB2 H 1 3.416 0.007 . 2 . . . . . 89 PHE HB2 . 50485 1 1092 . 1 . 1 89 89 PHE HB3 H 1 3.516 0.006 . 2 . . . . . 89 PHE HB3 . 50485 1 1093 . 1 . 1 89 89 PHE HD1 H 1 7.338 0.000 . 1 . . . . . 89 PHE HD1 . 50485 1 1094 . 1 . 1 89 89 PHE HD2 H 1 7.338 0.000 . 1 . . . . . 89 PHE HD2 . 50485 1 1095 . 1 . 1 89 89 PHE HE1 H 1 6.920 0.000 . 1 . . . . . 89 PHE HE1 . 50485 1 1096 . 1 . 1 89 89 PHE HE2 H 1 6.920 0.000 . 1 . . . . . 89 PHE HE2 . 50485 1 1097 . 1 . 1 89 89 PHE C C 13 172.250 0.000 . 1 . . . . . 89 PHE C . 50485 1 1098 . 1 . 1 89 89 PHE CA C 13 58.403 1.661 . 1 . . . . . 89 PHE CA . 50485 1 1099 . 1 . 1 89 89 PHE CB C 13 40.689 1.287 . 1 . . . . . 89 PHE CB . 50485 1 1100 . 1 . 1 89 89 PHE CD1 C 13 132.643 0.000 . 1 . . . . . 89 PHE CD1 . 50485 1 1101 . 1 . 1 89 89 PHE CD2 C 13 132.643 0.000 . 1 . . . . . 89 PHE CD2 . 50485 1 1102 . 1 . 1 89 89 PHE CE1 C 13 131.573 0.000 . 1 . . . . . 89 PHE CE1 . 50485 1 1103 . 1 . 1 89 89 PHE CE2 C 13 131.573 0.000 . 1 . . . . . 89 PHE CE2 . 50485 1 1104 . 1 . 1 89 89 PHE N N 15 118.522 0.044 . 1 . . . . . 89 PHE N . 50485 1 1105 . 1 . 1 90 90 SER H H 1 8.955 0.040 . 1 . . . . . 90 SER H . 50485 1 1106 . 1 . 1 90 90 SER HA H 1 5.328 0.008 . 1 . . . . . 90 SER HA . 50485 1 1107 . 1 . 1 90 90 SER HB2 H 1 3.895 0.006 . 2 . . . . . 90 SER HB2 . 50485 1 1108 . 1 . 1 90 90 SER HB3 H 1 3.730 0.008 . 2 . . . . . 90 SER HB3 . 50485 1 1109 . 1 . 1 90 90 SER C C 13 173.843 0.000 . 1 . . . . . 90 SER C . 50485 1 1110 . 1 . 1 90 90 SER CA C 13 56.758 1.318 . 1 . . . . . 90 SER CA . 50485 1 1111 . 1 . 1 90 90 SER CB C 13 65.703 1.246 . 1 . . . . . 90 SER CB . 50485 1 1112 . 1 . 1 90 90 SER N N 15 116.280 0.060 . 1 . . . . . 90 SER N . 50485 1 1113 . 1 . 1 91 91 GLY H H 1 8.160 0.034 . 1 . . . . . 91 GLY H . 50485 1 1114 . 1 . 1 91 91 GLY HA2 H 1 4.672 0.013 . 2 . . . . . 91 GLY HA2 . 50485 1 1115 . 1 . 1 91 91 GLY HA3 H 1 3.741 0.013 . 2 . . . . . 91 GLY HA3 . 50485 1 1116 . 1 . 1 91 91 GLY C C 13 172.716 0.000 . 1 . . . . . 91 GLY C . 50485 1 1117 . 1 . 1 91 91 GLY CA C 13 43.745 1.551 . 1 . . . . . 91 GLY CA . 50485 1 1118 . 1 . 1 91 91 GLY N N 15 110.799 0.032 . 1 . . . . . 91 GLY N . 50485 1 1119 . 1 . 1 92 92 ALA H H 1 8.646 0.037 . 1 . . . . . 92 ALA H . 50485 1 1120 . 1 . 1 92 92 ALA HA H 1 4.509 0.009 . 1 . . . . . 92 ALA HA . 50485 1 1121 . 1 . 1 92 92 ALA HB1 H 1 1.416 0.008 . 1 . . . . . 92 ALA HB1 . 50485 1 1122 . 1 . 1 92 92 ALA HB2 H 1 1.416 0.008 . 1 . . . . . 92 ALA HB2 . 50485 1 1123 . 1 . 1 92 92 ALA HB3 H 1 1.416 0.008 . 1 . . . . . 92 ALA HB3 . 50485 1 1124 . 1 . 1 92 92 ALA C C 13 175.307 0.000 . 1 . . . . . 92 ALA C . 50485 1 1125 . 1 . 1 92 92 ALA CA C 13 51.059 1.667 . 1 . . . . . 92 ALA CA . 50485 1 1126 . 1 . 1 92 92 ALA CB C 13 17.500 1.554 . 1 . . . . . 92 ALA CB . 50485 1 1127 . 1 . 1 92 92 ALA N N 15 123.314 0.041 . 1 . . . . . 92 ALA N . 50485 1 1128 . 1 . 1 93 93 ASN H H 1 7.558 0.036 . 1 . . . . . 93 ASN H . 50485 1 1129 . 1 . 1 93 93 ASN HA H 1 4.847 0.012 . 1 . . . . . 93 ASN HA . 50485 1 1130 . 1 . 1 93 93 ASN HB2 H 1 2.948 0.008 . 2 . . . . . 93 ASN HB2 . 50485 1 1131 . 1 . 1 93 93 ASN HB3 H 1 2.694 0.009 . 2 . . . . . 93 ASN HB3 . 50485 1 1132 . 1 . 1 93 93 ASN HD21 H 1 7.303 0.000 . 1 . . . . . 93 ASN HD21 . 50485 1 1133 . 1 . 1 93 93 ASN HD22 H 1 7.397 0.000 . 1 . . . . . 93 ASN HD22 . 50485 1 1134 . 1 . 1 93 93 ASN C C 13 174.746 0.000 . 1 . . . . . 93 ASN C . 50485 1 1135 . 1 . 1 93 93 ASN CA C 13 52.106 1.632 . 1 . . . . . 93 ASN CA . 50485 1 1136 . 1 . 1 93 93 ASN CB C 13 38.803 1.321 . 1 . . . . . 93 ASN CB . 50485 1 1137 . 1 . 1 93 93 ASN N N 15 121.743 0.146 . 1 . . . . . 93 ASN N . 50485 1 1138 . 1 . 1 93 93 ASN ND2 N 15 113.516 0.001 . 1 . . . . . 93 ASN ND2 . 50485 1 1139 . 1 . 1 94 94 LYS H H 1 8.577 0.036 . 1 . . . . . 94 LYS H . 50485 1 1140 . 1 . 1 94 94 LYS HA H 1 3.630 0.012 . 1 . . . . . 94 LYS HA . 50485 1 1141 . 1 . 1 94 94 LYS HB2 H 1 1.037 0.006 . 2 . . . . . 94 LYS HB2 . 50485 1 1142 . 1 . 1 94 94 LYS HB3 H 1 1.344 0.006 . 2 . . . . . 94 LYS HB3 . 50485 1 1143 . 1 . 1 94 94 LYS HG2 H 1 0.652 0.006 . 2 . . . . . 94 LYS HG2 . 50485 1 1144 . 1 . 1 94 94 LYS HG3 H 1 1.232 0.006 . 2 . . . . . 94 LYS HG3 . 50485 1 1145 . 1 . 1 94 94 LYS HD2 H 1 1.115 0.007 . 2 . . . . . 94 LYS HD2 . 50485 1 1146 . 1 . 1 94 94 LYS HD3 H 1 1.115 0.007 . 2 . . . . . 94 LYS HD3 . 50485 1 1147 . 1 . 1 94 94 LYS HE2 H 1 2.660 0.006 . 1 . . . . . 94 LYS HE2 . 50485 1 1148 . 1 . 1 94 94 LYS HE3 H 1 2.660 0.006 . 1 . . . . . 94 LYS HE3 . 50485 1 1149 . 1 . 1 94 94 LYS C C 13 177.805 0.000 . 1 . . . . . 94 LYS C . 50485 1 1150 . 1 . 1 94 94 LYS CA C 13 60.883 1.561 . 1 . . . . . 94 LYS CA . 50485 1 1151 . 1 . 1 94 94 LYS CB C 13 32.293 0.991 . 1 . . . . . 94 LYS CB . 50485 1 1152 . 1 . 1 94 94 LYS CG C 13 25.516 0.066 . 1 . . . . . 94 LYS CG . 50485 1 1153 . 1 . 1 94 94 LYS CD C 13 29.429 0.054 . 1 . . . . . 94 LYS CD . 50485 1 1154 . 1 . 1 94 94 LYS CE C 13 41.690 0.056 . 1 . . . . . 94 LYS CE . 50485 1 1155 . 1 . 1 94 94 LYS N N 15 125.175 0.060 . 1 . . . . . 94 LYS N . 50485 1 1156 . 1 . 1 95 95 GLU H H 1 8.398 0.036 . 1 . . . . . 95 GLU H . 50485 1 1157 . 1 . 1 95 95 GLU HA H 1 4.113 0.010 . 1 . . . . . 95 GLU HA . 50485 1 1158 . 1 . 1 95 95 GLU HB2 H 1 2.142 0.006 . 2 . . . . . 95 GLU HB2 . 50485 1 1159 . 1 . 1 95 95 GLU HB3 H 1 1.976 0.006 . 2 . . . . . 95 GLU HB3 . 50485 1 1160 . 1 . 1 95 95 GLU HG2 H 1 2.381 0.007 . 2 . . . . . 95 GLU HG2 . 50485 1 1161 . 1 . 1 95 95 GLU HG3 H 1 2.263 0.007 . 2 . . . . . 95 GLU HG3 . 50485 1 1162 . 1 . 1 95 95 GLU C C 13 179.599 0.000 . 1 . . . . . 95 GLU C . 50485 1 1163 . 1 . 1 95 95 GLU CA C 13 60.355 1.621 . 1 . . . . . 95 GLU CA . 50485 1 1164 . 1 . 1 95 95 GLU CB C 13 28.514 1.101 . 1 . . . . . 95 GLU CB . 50485 1 1165 . 1 . 1 95 95 GLU CG C 13 37.190 0.065 . 1 . . . . . 95 GLU CG . 50485 1 1166 . 1 . 1 95 95 GLU N N 15 119.293 0.048 . 1 . . . . . 95 GLU N . 50485 1 1167 . 1 . 1 96 96 LYS H H 1 7.813 0.038 . 1 . . . . . 96 LYS H . 50485 1 1168 . 1 . 1 96 96 LYS HA H 1 3.898 0.010 . 1 . . . . . 96 LYS HA . 50485 1 1169 . 1 . 1 96 96 LYS HB2 H 1 1.379 0.008 . 2 . . . . . 96 LYS HB2 . 50485 1 1170 . 1 . 1 96 96 LYS HB3 H 1 1.025 0.007 . 2 . . . . . 96 LYS HB3 . 50485 1 1171 . 1 . 1 96 96 LYS HG2 H 1 0.374 0.011 . 2 . . . . . 96 LYS HG2 . 50485 1 1172 . 1 . 1 96 96 LYS HG3 H 1 0.778 0.007 . 2 . . . . . 96 LYS HG3 . 50485 1 1173 . 1 . 1 96 96 LYS HD2 H 1 1.204 0.012 . 2 . . . . . 96 LYS HD2 . 50485 1 1174 . 1 . 1 96 96 LYS HD3 H 1 1.025 0.011 . 2 . . . . . 96 LYS HD3 . 50485 1 1175 . 1 . 1 96 96 LYS HE2 H 1 2.659 0.009 . 2 . . . . . 96 LYS HE2 . 50485 1 1176 . 1 . 1 96 96 LYS HE3 H 1 2.551 0.011 . 2 . . . . . 96 LYS HE3 . 50485 1 1177 . 1 . 1 96 96 LYS C C 13 179.415 0.000 . 1 . . . . . 96 LYS C . 50485 1 1178 . 1 . 1 96 96 LYS CA C 13 58.839 1.690 . 1 . . . . . 96 LYS CA . 50485 1 1179 . 1 . 1 96 96 LYS CB C 13 32.275 0.938 . 1 . . . . . 96 LYS CB . 50485 1 1180 . 1 . 1 96 96 LYS CG C 13 24.564 0.105 . 1 . . . . . 96 LYS CG . 50485 1 1181 . 1 . 1 96 96 LYS CD C 13 29.268 0.063 . 1 . . . . . 96 LYS CD . 50485 1 1182 . 1 . 1 96 96 LYS CE C 13 41.966 0.070 . 1 . . . . . 96 LYS CE . 50485 1 1183 . 1 . 1 96 96 LYS N N 15 121.090 0.137 . 1 . . . . . 96 LYS N . 50485 1 1184 . 1 . 1 97 97 LEU H H 1 8.041 0.037 . 1 . . . . . 97 LEU H . 50485 1 1185 . 1 . 1 97 97 LEU HA H 1 4.121 0.011 . 1 . . . . . 97 LEU HA . 50485 1 1186 . 1 . 1 97 97 LEU HB2 H 1 2.283 0.006 . 2 . . . . . 97 LEU HB2 . 50485 1 1187 . 1 . 1 97 97 LEU HB3 H 1 1.533 0.008 . 2 . . . . . 97 LEU HB3 . 50485 1 1188 . 1 . 1 97 97 LEU HG H 1 1.532 0.006 . 1 . . . . . 97 LEU HG . 50485 1 1189 . 1 . 1 97 97 LEU HD11 H 1 0.667 0.006 . 2 . . . . . 97 LEU HD11 . 50485 1 1190 . 1 . 1 97 97 LEU HD12 H 1 0.667 0.006 . 2 . . . . . 97 LEU HD12 . 50485 1 1191 . 1 . 1 97 97 LEU HD13 H 1 0.667 0.006 . 2 . . . . . 97 LEU HD13 . 50485 1 1192 . 1 . 1 97 97 LEU HD21 H 1 0.818 0.008 . 2 . . . . . 97 LEU HD21 . 50485 1 1193 . 1 . 1 97 97 LEU HD22 H 1 0.818 0.008 . 2 . . . . . 97 LEU HD22 . 50485 1 1194 . 1 . 1 97 97 LEU HD23 H 1 0.818 0.008 . 2 . . . . . 97 LEU HD23 . 50485 1 1195 . 1 . 1 97 97 LEU C C 13 176.907 0.000 . 1 . . . . . 97 LEU C . 50485 1 1196 . 1 . 1 97 97 LEU CA C 13 59.850 1.751 . 1 . . . . . 97 LEU CA . 50485 1 1197 . 1 . 1 97 97 LEU CB C 13 41.317 1.109 . 1 . . . . . 97 LEU CB . 50485 1 1198 . 1 . 1 97 97 LEU CG C 13 26.614 0.057 . 1 . . . . . 97 LEU CG . 50485 1 1199 . 1 . 1 97 97 LEU CD1 C 13 26.638 0.052 . 1 . . . . . 97 LEU CD1 . 50485 1 1200 . 1 . 1 97 97 LEU CD2 C 13 22.531 0.000 . 1 . . . . . 97 LEU CD2 . 50485 1 1201 . 1 . 1 97 97 LEU N N 15 123.183 0.050 . 1 . . . . . 97 LEU N . 50485 1 1202 . 1 . 1 98 98 GLU H H 1 7.860 0.036 . 1 . . . . . 98 GLU H . 50485 1 1203 . 1 . 1 98 98 GLU HA H 1 3.875 0.009 . 1 . . . . . 98 GLU HA . 50485 1 1204 . 1 . 1 98 98 GLU HB2 H 1 2.252 0.023 . 2 . . . . . 98 GLU HB2 . 50485 1 1205 . 1 . 1 98 98 GLU HB3 H 1 2.234 0.025 . 2 . . . . . 98 GLU HB3 . 50485 1 1206 . 1 . 1 98 98 GLU HG2 H 1 2.378 0.007 . 2 . . . . . 98 GLU HG2 . 50485 1 1207 . 1 . 1 98 98 GLU HG3 H 1 2.545 0.008 . 2 . . . . . 98 GLU HG3 . 50485 1 1208 . 1 . 1 98 98 GLU C C 13 178.024 0.000 . 1 . . . . . 98 GLU C . 50485 1 1209 . 1 . 1 98 98 GLU CA C 13 61.096 1.599 . 1 . . . . . 98 GLU CA . 50485 1 1210 . 1 . 1 98 98 GLU CB C 13 29.461 1.091 . 1 . . . . . 98 GLU CB . 50485 1 1211 . 1 . 1 98 98 GLU CG C 13 36.946 0.069 . 1 . . . . . 98 GLU CG . 50485 1 1212 . 1 . 1 98 98 GLU N N 15 117.393 0.042 . 1 . . . . . 98 GLU N . 50485 1 1213 . 1 . 1 99 99 ALA H H 1 8.372 0.037 . 1 . . . . . 99 ALA H . 50485 1 1214 . 1 . 1 99 99 ALA HA H 1 4.143 0.011 . 1 . . . . . 99 ALA HA . 50485 1 1215 . 1 . 1 99 99 ALA HB1 H 1 1.422 0.010 . 1 . . . . . 99 ALA HB1 . 50485 1 1216 . 1 . 1 99 99 ALA HB2 H 1 1.422 0.010 . 1 . . . . . 99 ALA HB2 . 50485 1 1217 . 1 . 1 99 99 ALA HB3 H 1 1.422 0.010 . 1 . . . . . 99 ALA HB3 . 50485 1 1218 . 1 . 1 99 99 ALA C C 13 180.579 0.000 . 1 . . . . . 99 ALA C . 50485 1 1219 . 1 . 1 99 99 ALA CA C 13 55.461 1.738 . 1 . . . . . 99 ALA CA . 50485 1 1220 . 1 . 1 99 99 ALA CB C 13 17.666 1.581 . 1 . . . . . 99 ALA CB . 50485 1 1221 . 1 . 1 99 99 ALA N N 15 120.547 0.037 . 1 . . . . . 99 ALA N . 50485 1 1222 . 1 . 1 100 100 THR H H 1 8.037 0.037 . 1 . . . . . 100 THR H . 50485 1 1223 . 1 . 1 100 100 THR HA H 1 3.691 0.010 . 1 . . . . . 100 THR HA . 50485 1 1224 . 1 . 1 100 100 THR HB H 1 3.989 0.010 . 1 . . . . . 100 THR HB . 50485 1 1225 . 1 . 1 100 100 THR HG21 H 1 0.303 0.004 . 1 . . . . . 100 THR HG21 . 50485 1 1226 . 1 . 1 100 100 THR HG22 H 1 0.303 0.004 . 1 . . . . . 100 THR HG22 . 50485 1 1227 . 1 . 1 100 100 THR HG23 H 1 0.303 0.004 . 1 . . . . . 100 THR HG23 . 50485 1 1228 . 1 . 1 100 100 THR C C 13 175.629 0.000 . 1 . . . . . 100 THR C . 50485 1 1229 . 1 . 1 100 100 THR CA C 13 67.413 1.677 . 1 . . . . . 100 THR CA . 50485 1 1230 . 1 . 1 100 100 THR CB C 13 67.810 1.548 . 1 . . . . . 100 THR CB . 50485 1 1231 . 1 . 1 100 100 THR CG2 C 13 20.595 0.000 . 1 . . . . . 100 THR CG2 . 50485 1 1232 . 1 . 1 100 100 THR N N 15 115.367 0.049 . 1 . . . . . 100 THR N . 50485 1 1233 . 1 . 1 101 101 ILE H H 1 8.799 0.000 . 1 . . . . . 101 ILE H . 50485 1 1234 . 1 . 1 101 101 ILE HA H 1 3.877 0.000 . 1 . . . . . 101 ILE HA . 50485 1 1235 . 1 . 1 101 101 ILE HB H 1 1.719 0.007 . 1 . . . . . 101 ILE HB . 50485 1 1236 . 1 . 1 101 101 ILE HG12 H 1 0.789 0.017 . 2 . . . . . 101 ILE HG12 . 50485 1 1237 . 1 . 1 101 101 ILE HG13 H 1 2.145 0.009 . 2 . . . . . 101 ILE HG13 . 50485 1 1238 . 1 . 1 101 101 ILE HG21 H 1 0.188 0.010 . 1 . . . . . 101 ILE HG21 . 50485 1 1239 . 1 . 1 101 101 ILE HG22 H 1 0.188 0.010 . 1 . . . . . 101 ILE HG22 . 50485 1 1240 . 1 . 1 101 101 ILE HG23 H 1 0.188 0.010 . 1 . . . . . 101 ILE HG23 . 50485 1 1241 . 1 . 1 101 101 ILE HD11 H 1 0.819 0.012 . 1 . . . . . 101 ILE HD11 . 50485 1 1242 . 1 . 1 101 101 ILE HD12 H 1 0.819 0.012 . 1 . . . . . 101 ILE HD12 . 50485 1 1243 . 1 . 1 101 101 ILE HD13 H 1 0.819 0.012 . 1 . . . . . 101 ILE HD13 . 50485 1 1244 . 1 . 1 101 101 ILE C C 13 176.506 0.000 . 1 . . . . . 101 ILE C . 50485 1 1245 . 1 . 1 101 101 ILE CA C 13 67.105 1.725 . 1 . . . . . 101 ILE CA . 50485 1 1246 . 1 . 1 101 101 ILE CB C 13 37.377 1.700 . 1 . . . . . 101 ILE CB . 50485 1 1247 . 1 . 1 101 101 ILE CG1 C 13 30.611 0.067 . 1 . . . . . 101 ILE CG1 . 50485 1 1248 . 1 . 1 101 101 ILE CG2 C 13 16.179 0.104 . 1 . . . . . 101 ILE CG2 . 50485 1 1249 . 1 . 1 101 101 ILE CD1 C 13 15.614 0.093 . 1 . . . . . 101 ILE CD1 . 50485 1 1250 . 1 . 1 101 101 ILE N N 15 120.233 0.056 . 1 . . . . . 101 ILE N . 50485 1 1251 . 1 . 1 102 102 ASN H H 1 7.492 0.038 . 1 . . . . . 102 ASN H . 50485 1 1252 . 1 . 1 102 102 ASN HA H 1 4.330 0.010 . 1 . . . . . 102 ASN HA . 50485 1 1253 . 1 . 1 102 102 ASN HB2 H 1 2.766 0.011 . 2 . . . . . 102 ASN HB2 . 50485 1 1254 . 1 . 1 102 102 ASN HB3 H 1 2.746 0.013 . 2 . . . . . 102 ASN HB3 . 50485 1 1255 . 1 . 1 102 102 ASN HD21 H 1 7.715 0.000 . 1 . . . . . 102 ASN HD21 . 50485 1 1256 . 1 . 1 102 102 ASN HD22 H 1 6.851 0.000 . 1 . . . . . 102 ASN HD22 . 50485 1 1257 . 1 . 1 102 102 ASN C C 13 176.857 0.000 . 1 . . . . . 102 ASN C . 50485 1 1258 . 1 . 1 102 102 ASN CA C 13 57.168 1.756 . 1 . . . . . 102 ASN CA . 50485 1 1259 . 1 . 1 102 102 ASN CB C 13 39.089 1.285 . 1 . . . . . 102 ASN CB . 50485 1 1260 . 1 . 1 102 102 ASN N N 15 113.291 0.076 . 1 . . . . . 102 ASN N . 50485 1 1261 . 1 . 1 102 102 ASN ND2 N 15 112.024 0.004 . 1 . . . . . 102 ASN ND2 . 50485 1 1262 . 1 . 1 103 103 GLU H H 1 7.748 0.038 . 1 . . . . . 103 GLU H . 50485 1 1263 . 1 . 1 103 103 GLU HA H 1 4.131 0.009 . 1 . . . . . 103 GLU HA . 50485 1 1264 . 1 . 1 103 103 GLU HB2 H 1 2.134 0.008 . 2 . . . . . 103 GLU HB2 . 50485 1 1265 . 1 . 1 103 103 GLU HB3 H 1 2.039 0.010 . 2 . . . . . 103 GLU HB3 . 50485 1 1266 . 1 . 1 103 103 GLU HG2 H 1 2.384 0.006 . 2 . . . . . 103 GLU HG2 . 50485 1 1267 . 1 . 1 103 103 GLU HG3 H 1 2.221 0.007 . 2 . . . . . 103 GLU HG3 . 50485 1 1268 . 1 . 1 103 103 GLU C C 13 177.975 0.000 . 1 . . . . . 103 GLU C . 50485 1 1269 . 1 . 1 103 103 GLU CA C 13 58.706 1.621 . 1 . . . . . 103 GLU CA . 50485 1 1270 . 1 . 1 103 103 GLU CB C 13 30.086 1.118 . 1 . . . . . 103 GLU CB . 50485 1 1271 . 1 . 1 103 103 GLU CG C 13 36.286 0.062 . 1 . . . . . 103 GLU CG . 50485 1 1272 . 1 . 1 103 103 GLU N N 15 118.522 0.041 . 1 . . . . . 103 GLU N . 50485 1 1273 . 1 . 1 104 104 LEU H H 1 7.376 0.036 . 1 . . . . . 104 LEU H . 50485 1 1274 . 1 . 1 104 104 LEU HA H 1 4.421 0.011 . 1 . . . . . 104 LEU HA . 50485 1 1275 . 1 . 1 104 104 LEU HB2 H 1 1.590 0.007 . 2 . . . . . 104 LEU HB2 . 50485 1 1276 . 1 . 1 104 104 LEU HB3 H 1 1.426 0.007 . 2 . . . . . 104 LEU HB3 . 50485 1 1277 . 1 . 1 104 104 LEU HG H 1 1.632 0.007 . 1 . . . . . 104 LEU HG . 50485 1 1278 . 1 . 1 104 104 LEU HD11 H 1 0.722 0.005 . 2 . . . . . 104 LEU HD11 . 50485 1 1279 . 1 . 1 104 104 LEU HD12 H 1 0.722 0.005 . 2 . . . . . 104 LEU HD12 . 50485 1 1280 . 1 . 1 104 104 LEU HD13 H 1 0.722 0.005 . 2 . . . . . 104 LEU HD13 . 50485 1 1281 . 1 . 1 104 104 LEU HD21 H 1 0.304 0.006 . 2 . . . . . 104 LEU HD21 . 50485 1 1282 . 1 . 1 104 104 LEU HD22 H 1 0.304 0.006 . 2 . . . . . 104 LEU HD22 . 50485 1 1283 . 1 . 1 104 104 LEU HD23 H 1 0.304 0.006 . 2 . . . . . 104 LEU HD23 . 50485 1 1284 . 1 . 1 104 104 LEU C C 13 176.665 0.000 . 1 . . . . . 104 LEU C . 50485 1 1285 . 1 . 1 104 104 LEU CA C 13 55.865 1.667 . 1 . . . . . 104 LEU CA . 50485 1 1286 . 1 . 1 104 104 LEU CB C 13 44.925 1.067 . 1 . . . . . 104 LEU CB . 50485 1 1287 . 1 . 1 104 104 LEU CG C 13 26.847 0.059 . 1 . . . . . 104 LEU CG . 50485 1 1288 . 1 . 1 104 104 LEU CD1 C 13 22.255 0.051 . 1 . . . . . 104 LEU CD1 . 50485 1 1289 . 1 . 1 104 104 LEU CD2 C 13 26.851 0.000 . 1 . . . . . 104 LEU CD2 . 50485 1 1290 . 1 . 1 104 104 LEU N N 15 117.687 0.074 . 1 . . . . . 104 LEU N . 50485 1 1291 . 1 . 1 105 105 VAL H H 1 7.502 0.040 . 1 . . . . . 105 VAL H . 50485 1 1292 . 1 . 1 105 105 VAL HA H 1 3.811 0.010 . 1 . . . . . 105 VAL HA . 50485 1 1293 . 1 . 1 105 105 VAL HB H 1 2.151 0.006 . 1 . . . . . 105 VAL HB . 50485 1 1294 . 1 . 1 105 105 VAL HG11 H 1 1.031 0.006 . 2 . . . . . 105 VAL HG11 . 50485 1 1295 . 1 . 1 105 105 VAL HG12 H 1 1.031 0.006 . 2 . . . . . 105 VAL HG12 . 50485 1 1296 . 1 . 1 105 105 VAL HG13 H 1 1.031 0.006 . 2 . . . . . 105 VAL HG13 . 50485 1 1297 . 1 . 1 105 105 VAL HG21 H 1 1.000 0.007 . 2 . . . . . 105 VAL HG21 . 50485 1 1298 . 1 . 1 105 105 VAL HG22 H 1 1.000 0.007 . 2 . . . . . 105 VAL HG22 . 50485 1 1299 . 1 . 1 105 105 VAL HG23 H 1 1.000 0.007 . 2 . . . . . 105 VAL HG23 . 50485 1 1300 . 1 . 1 105 105 VAL CA C 13 66.660 1.290 . 1 . . . . . 105 VAL CA . 50485 1 1301 . 1 . 1 105 105 VAL CB C 13 31.734 0.113 . 1 . . . . . 105 VAL CB . 50485 1 1302 . 1 . 1 105 105 VAL CG1 C 13 21.354 0.065 . 1 . . . . . 105 VAL CG1 . 50485 1 1303 . 1 . 1 105 105 VAL CG2 C 13 22.148 0.060 . 1 . . . . . 105 VAL CG2 . 50485 1 1304 . 1 . 1 105 105 VAL N N 15 123.786 0.084 . 1 . . . . . 105 VAL N . 50485 1 stop_ save_