data_52147 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52147 _Entry.Title ; RNA binding protein hMEX3B can specifically recognize HLA-A mRNA to promote tumor immune escape ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-25 _Entry.Accession_date 2023-09-25 _Entry.Last_release_date 2023-09-25 _Entry.Original_release_date 2023-09-25 _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 Kanglong Yang . . . . 52147 2 Liang Zhang . . . . 52147 3 Jiahai Zhang . . . . 52147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 52147 '15N chemical shifts' 89 52147 '1H chemical shifts' 573 52147 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 . . 2024-03-12 2023-09-25 update BMRB 'update entry citation' 52147 1 . . 2023-10-25 2023-09-25 original author 'original release' 52147 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52148 'MEX3B KH2 domain' 52147 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52147 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38326406 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular mechanism of specific HLA-A mRNA recognition by the RNA-binding-protein hMEX3B to promote tumor immune escape ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications Biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 158 _Citation.Page_last 158 _Citation.Year 2024 _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 Kanglong Yang K. . . . 52147 1 2 Guanglin Chen G. . . . 52147 1 3 Fan Yu F. . . . 52147 1 4 Xianyang Fang X. . . . 52147 1 5 Jiahai Zhang J. . . . 52147 1 6 Zhiyong Zhang Z. . . . 52147 1 7 Yunyu Shi Y. . . . 52147 1 8 Liang Zhang L. . . . 52147 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hMEX3B, KH1 domain' 52147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52147 _Assembly.ID 1 _Assembly.Name 'MEX3B KH1 domain' _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 'MEX3B KH1 domain' 1 $entity_1 . . yes native no no . . . 52147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52147 _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 ; DSEPRKKSVNMTECVPVPSS EHVAEIVGRQGCKIKALRAK TNTYIKTPVRGEEPVFVVTG RKEDVAMARREIISAAEHFS MIRASRNKN ; _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 89 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Human MEX3B (hMEX3B) protein is an RNA-binding protein that contains two KH domains at the N-terminus and a RING domain at its C-terminus, which has the activity of E3 ubiquitin ligase and is essential for RNA degradation. ; 52147 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 52147 1 2 . SER . 52147 1 3 . GLU . 52147 1 4 . PRO . 52147 1 5 . ARG . 52147 1 6 . LYS . 52147 1 7 . LYS . 52147 1 8 . SER . 52147 1 9 . VAL . 52147 1 10 . ASN . 52147 1 11 . MET . 52147 1 12 . THR . 52147 1 13 . GLU . 52147 1 14 . CYS . 52147 1 15 . VAL . 52147 1 16 . PRO . 52147 1 17 . VAL . 52147 1 18 . PRO . 52147 1 19 . SER . 52147 1 20 . SER . 52147 1 21 . GLU . 52147 1 22 . HIS . 52147 1 23 . VAL . 52147 1 24 . ALA . 52147 1 25 . GLU . 52147 1 26 . ILE . 52147 1 27 . VAL . 52147 1 28 . GLY . 52147 1 29 . ARG . 52147 1 30 . GLN . 52147 1 31 . GLY . 52147 1 32 . CYS . 52147 1 33 . LYS . 52147 1 34 . ILE . 52147 1 35 . LYS . 52147 1 36 . ALA . 52147 1 37 . LEU . 52147 1 38 . ARG . 52147 1 39 . ALA . 52147 1 40 . LYS . 52147 1 41 . THR . 52147 1 42 . ASN . 52147 1 43 . THR . 52147 1 44 . TYR . 52147 1 45 . ILE . 52147 1 46 . LYS . 52147 1 47 . THR . 52147 1 48 . PRO . 52147 1 49 . VAL . 52147 1 50 . ARG . 52147 1 51 . GLY . 52147 1 52 . GLU . 52147 1 53 . GLU . 52147 1 54 . PRO . 52147 1 55 . VAL . 52147 1 56 . PHE . 52147 1 57 . VAL . 52147 1 58 . VAL . 52147 1 59 . THR . 52147 1 60 . GLY . 52147 1 61 . ARG . 52147 1 62 . LYS . 52147 1 63 . GLU . 52147 1 64 . ASP . 52147 1 65 . VAL . 52147 1 66 . ALA . 52147 1 67 . MET . 52147 1 68 . ALA . 52147 1 69 . ARG . 52147 1 70 . ARG . 52147 1 71 . GLU . 52147 1 72 . ILE . 52147 1 73 . ILE . 52147 1 74 . SER . 52147 1 75 . ALA . 52147 1 76 . ALA . 52147 1 77 . GLU . 52147 1 78 . HIS . 52147 1 79 . PHE . 52147 1 80 . SER . 52147 1 81 . MET . 52147 1 82 . ILE . 52147 1 83 . ARG . 52147 1 84 . ALA . 52147 1 85 . SER . 52147 1 86 . ARG . 52147 1 87 . ASN . 52147 1 88 . LYS . 52147 1 89 . ASN . 52147 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 . ASP 1 1 52147 1 . SER 2 2 52147 1 . GLU 3 3 52147 1 . PRO 4 4 52147 1 . ARG 5 5 52147 1 . LYS 6 6 52147 1 . LYS 7 7 52147 1 . SER 8 8 52147 1 . VAL 9 9 52147 1 . ASN 10 10 52147 1 . MET 11 11 52147 1 . THR 12 12 52147 1 . GLU 13 13 52147 1 . CYS 14 14 52147 1 . VAL 15 15 52147 1 . PRO 16 16 52147 1 . VAL 17 17 52147 1 . PRO 18 18 52147 1 . SER 19 19 52147 1 . SER 20 20 52147 1 . GLU 21 21 52147 1 . HIS 22 22 52147 1 . VAL 23 23 52147 1 . ALA 24 24 52147 1 . GLU 25 25 52147 1 . ILE 26 26 52147 1 . VAL 27 27 52147 1 . GLY 28 28 52147 1 . ARG 29 29 52147 1 . GLN 30 30 52147 1 . GLY 31 31 52147 1 . CYS 32 32 52147 1 . LYS 33 33 52147 1 . ILE 34 34 52147 1 . LYS 35 35 52147 1 . ALA 36 36 52147 1 . LEU 37 37 52147 1 . ARG 38 38 52147 1 . ALA 39 39 52147 1 . LYS 40 40 52147 1 . THR 41 41 52147 1 . ASN 42 42 52147 1 . THR 43 43 52147 1 . TYR 44 44 52147 1 . ILE 45 45 52147 1 . LYS 46 46 52147 1 . THR 47 47 52147 1 . PRO 48 48 52147 1 . VAL 49 49 52147 1 . ARG 50 50 52147 1 . GLY 51 51 52147 1 . GLU 52 52 52147 1 . GLU 53 53 52147 1 . PRO 54 54 52147 1 . VAL 55 55 52147 1 . PHE 56 56 52147 1 . VAL 57 57 52147 1 . VAL 58 58 52147 1 . THR 59 59 52147 1 . GLY 60 60 52147 1 . ARG 61 61 52147 1 . LYS 62 62 52147 1 . GLU 63 63 52147 1 . ASP 64 64 52147 1 . VAL 65 65 52147 1 . ALA 66 66 52147 1 . MET 67 67 52147 1 . ALA 68 68 52147 1 . ARG 69 69 52147 1 . ARG 70 70 52147 1 . GLU 71 71 52147 1 . ILE 72 72 52147 1 . ILE 73 73 52147 1 . SER 74 74 52147 1 . ALA 75 75 52147 1 . ALA 76 76 52147 1 . GLU 77 77 52147 1 . HIS 78 78 52147 1 . PHE 79 79 52147 1 . SER 80 80 52147 1 . MET 81 81 52147 1 . ILE 82 82 52147 1 . ARG 83 83 52147 1 . ALA 84 84 52147 1 . SER 85 85 52147 1 . ARG 86 86 52147 1 . ASN 87 87 52147 1 . LYS 88 88 52147 1 . ASN 89 89 52147 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 52147 _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 . . . . . . . . . . . . . 52147 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 52147 _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 . . pET28a . . . 52147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52147 _Sample.ID 1 _Sample.Name 13C-15N-KH1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, pH 6.5, 100 mM NaCl, 5 mM TCEP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MEX3B KH1 domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52147 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52147 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52147 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 52147 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 52147 _Sample_condition_list.ID 1 _Sample_condition_list.Name '0.5 mM 15N,13C labeled KH1' _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' 0.1 . M 52147 1 pH 6.5 . pH 52147 1 pressure 1 . atm 52147 1 temperature 298 . K 52147 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52147 _Software.ID 1 _Software.Type . _Software.Name Topspin4.09,CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data collect, chemical shift assignment' . 52147 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 52147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AvanceIII 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52147 _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 '3D CBCANH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 2 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 3 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 4 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 5 '3D HN(CO)CA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 6 '3D HBHA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 7 '3D H(CCO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 8 '3D C(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 9 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52147 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D CBCANH' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 2 '3D CBCA(CO)NH' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 3 '3D HNCO' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 4 '3D HNCA' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 5 '3D HN(CO)CA' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 6 '3D HBHA(CO)NH' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 7 '3D H(CCO)NH' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 8 '3D C(CO)NH' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 1 9 '2D 1H-15N HSQC' Mex3B-KH1-data.zip . 'NMR experiment directory' . . 52147 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 52147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52147 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52147 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52147 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 52147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mex3B-KH1.prot _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 '3D CBCANH' . . . 52147 1 2 '3D CBCA(CO)NH' . . . 52147 1 3 '3D HNCO' . . . 52147 1 4 '3D HNCA' . . . 52147 1 5 '3D HN(CO)CA' . . . 52147 1 6 '3D HBHA(CO)NH' . . . 52147 1 7 '3D H(CCO)NH' . . . 52147 1 8 '3D C(CO)NH' . . . 52147 1 9 '2D 1H-15N HSQC' . . . 52147 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 . . 52147 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 ASP H H 1 8.204 0.010 . . . . . . . 1 D H . 52147 1 2 . 1 . 1 1 1 ASP HA H 1 4.409 0.010 . . . . . . . 1 D HA . 52147 1 3 . 1 . 1 1 1 ASP HB2 H 1 2.423 0.000 . . . . . . . 1 D HB2 . 52147 1 4 . 1 . 1 1 1 ASP HB3 H 1 2.522 0.000 . . . . . . . 1 D HB3 . 52147 1 5 . 1 . 1 1 1 ASP C C 13 173.419 0.010 . . . . . . . 1 D C . 52147 1 6 . 1 . 1 1 1 ASP CA C 13 54.101 0.000 . . . . . . . 1 D CA . 52147 1 7 . 1 . 1 1 1 ASP CB C 13 40.528 0.010 . . . . . . . 1 D CB . 52147 1 8 . 1 . 1 1 1 ASP N N 15 121.579 0.010 . . . . . . . 1 D N . 52147 1 9 . 1 . 1 2 2 SER H H 1 8.201 0.010 . . . . . . . 2 S H . 52147 1 10 . 1 . 1 2 2 SER HA H 1 4.210 0.010 . . . . . . . 2 S HA . 52147 1 11 . 1 . 1 2 2 SER HB2 H 1 3.654 0.010 . . . . . . . 2 S HB2 . 52147 1 12 . 1 . 1 2 2 SER HB3 H 1 3.649 0.010 . . . . . . . 2 S HB3 . 52147 1 13 . 1 . 1 2 2 SER C C 13 171.435 0.010 . . . . . . . 2 S C . 52147 1 14 . 1 . 1 2 2 SER CA C 13 57.721 0.000 . . . . . . . 2 S CA . 52147 1 15 . 1 . 1 2 2 SER CB C 13 63.288 0.010 . . . . . . . 2 S CB . 52147 1 16 . 1 . 1 2 2 SER N N 15 115.420 0.010 . . . . . . . 2 S N . 52147 1 17 . 1 . 1 3 3 GLU H H 1 8.265 0.010 . . . . . . . 3 E H . 52147 1 18 . 1 . 1 3 3 GLU CA C 13 53.777 0.010 . . . . . . . 3 E CA . 52147 1 19 . 1 . 1 3 3 GLU CB C 13 29.984 0.010 . . . . . . . 3 E CB . 52147 1 20 . 1 . 1 3 3 GLU N N 15 123.404 0.010 . . . . . . . 3 E N . 52147 1 21 . 1 . 1 4 4 PRO HA H 1 4.199 0.010 . . . . . . . 4 P HA . 52147 1 22 . 1 . 1 4 4 PRO HB2 H 1 1.677 0.010 . . . . . . . 4 P HB2 . 52147 1 23 . 1 . 1 4 4 PRO HB3 H 1 2.086 0.010 . . . . . . . 4 P HB3 . 52147 1 24 . 1 . 1 4 4 PRO HG2 H 1 1.679 0.010 . . . . . . . 4 P HG2 . 52147 1 25 . 1 . 1 4 4 PRO HG3 H 1 1.772 0.010 . . . . . . . 4 P HG3 . 52147 1 26 . 1 . 1 4 4 PRO HD2 H 1 3.475 0.010 . . . . . . . 4 P HD2 . 52147 1 27 . 1 . 1 4 4 PRO HD3 H 1 3.604 0.010 . . . . . . . 4 P HD3 . 52147 1 28 . 1 . 1 4 4 PRO C C 13 173.964 0.010 . . . . . . . 4 P C . 52147 1 29 . 1 . 1 4 4 PRO CA C 13 62.768 0.010 . . . . . . . 4 P CA . 52147 1 30 . 1 . 1 4 4 PRO CB C 13 31.418 0.010 . . . . . . . 4 P CB . 52147 1 31 . 1 . 1 4 4 PRO CG C 13 27.078 0.010 . . . . . . . 4 P CG . 52147 1 32 . 1 . 1 4 4 PRO CD C 13 50.163 0.000 . . . . . . . 4 P CD . 52147 1 33 . 1 . 1 5 5 ARG H H 1 8.426 0.010 . . . . . . . 5 R H . 52147 1 34 . 1 . 1 5 5 ARG HA H 1 4.096 0.010 . . . . . . . 5 R HA . 52147 1 35 . 1 . 1 5 5 ARG HB2 H 1 1.599 0.010 . . . . . . . 5 R HB2 . 52147 1 36 . 1 . 1 5 5 ARG HB3 H 1 1.614 0.010 . . . . . . . 5 R HB3 . 52147 1 37 . 1 . 1 5 5 ARG HG2 H 1 1.246 0.010 . . . . . . . 5 R HG2 . 52147 1 38 . 1 . 1 5 5 ARG HG3 H 1 1.490 0.010 . . . . . . . 5 R HG3 . 52147 1 39 . 1 . 1 5 5 ARG HD2 H 1 2.785 0.010 . . . . . . . 5 R HD2 . 52147 1 40 . 1 . 1 5 5 ARG HD3 H 1 3.004 0.010 . . . . . . . 5 R HD3 . 52147 1 41 . 1 . 1 5 5 ARG C C 13 173.531 0.010 . . . . . . . 5 R C . 52147 1 42 . 1 . 1 5 5 ARG CA C 13 55.569 0.000 . . . . . . . 5 R CA . 52147 1 43 . 1 . 1 5 5 ARG CB C 13 29.847 0.010 . . . . . . . 5 R CB . 52147 1 44 . 1 . 1 5 5 ARG CG C 13 25.082 0.010 . . . . . . . 5 R CG . 52147 1 45 . 1 . 1 5 5 ARG CD C 13 42.698 0.010 . . . . . . . 5 R CD . 52147 1 46 . 1 . 1 5 5 ARG N N 15 121.118 0.010 . . . . . . . 5 R N . 52147 1 47 . 1 . 1 6 6 LYS H H 1 8.446 0.010 . . . . . . . 6 K H . 52147 1 48 . 1 . 1 6 6 LYS HA H 1 4.103 0.000 . . . . . . . 6 K HA . 52147 1 49 . 1 . 1 6 6 LYS HB2 H 1 1.577 0.010 . . . . . . . 6 K HB2 . 52147 1 50 . 1 . 1 6 6 LYS HB3 H 1 1.620 0.000 . . . . . . . 6 K HB3 . 52147 1 51 . 1 . 1 6 6 LYS HG2 H 1 0.999 0.010 . . . . . . . 6 K HG2 . 52147 1 52 . 1 . 1 6 6 LYS HG3 H 1 1.240 0.010 . . . . . . . 6 K HG3 . 52147 1 53 . 1 . 1 6 6 LYS HD2 H 1 1.491 0.010 . . . . . . . 6 K HD2 . 52147 1 54 . 1 . 1 6 6 LYS HD3 H 1 1.491 0.010 . . . . . . . 6 K HD3 . 52147 1 55 . 1 . 1 6 6 LYS HE2 H 1 2.793 0.000 . . . . . . . 6 K HE2 . 52147 1 56 . 1 . 1 6 6 LYS HE3 H 1 2.793 0.010 . . . . . . . 6 K HE3 . 52147 1 57 . 1 . 1 6 6 LYS C C 13 173.636 0.010 . . . . . . . 6 K C . 52147 1 58 . 1 . 1 6 6 LYS CA C 13 55.746 0.000 . . . . . . . 6 K CA . 52147 1 59 . 1 . 1 6 6 LYS CB C 13 32.474 0.000 . . . . . . . 6 K CB . 52147 1 60 . 1 . 1 6 6 LYS CG C 13 24.238 0.010 . . . . . . . 6 K CG . 52147 1 61 . 1 . 1 6 6 LYS CD C 13 28.285 0.000 . . . . . . . 6 K CD . 52147 1 62 . 1 . 1 6 6 LYS CE C 13 41.633 0.000 . . . . . . . 6 K CE . 52147 1 63 . 1 . 1 6 6 LYS N N 15 122.911 0.010 . . . . . . . 6 K N . 52147 1 64 . 1 . 1 7 7 LYS H H 1 8.358 0.010 . . . . . . . 7 K H . 52147 1 65 . 1 . 1 7 7 LYS HA H 1 3.745 0.010 . . . . . . . 7 K HA . 52147 1 66 . 1 . 1 7 7 LYS HB2 H 1 1.579 0.010 . . . . . . . 7 K HB2 . 52147 1 67 . 1 . 1 7 7 LYS HB3 H 1 1.615 0.000 . . . . . . . 7 K HB3 . 52147 1 68 . 1 . 1 7 7 LYS HG2 H 1 1.250 0.010 . . . . . . . 7 K HG2 . 52147 1 69 . 1 . 1 7 7 LYS HG3 H 1 1.495 0.010 . . . . . . . 7 K HG3 . 52147 1 70 . 1 . 1 7 7 LYS HD2 H 1 1.250 0.010 . . . . . . . 7 K HD2 . 52147 1 71 . 1 . 1 7 7 LYS HD3 H 1 1.578 0.010 . . . . . . . 7 K HD3 . 52147 1 72 . 1 . 1 7 7 LYS HE2 H 1 2.793 0.000 . . . . . . . 7 K HE2 . 52147 1 73 . 1 . 1 7 7 LYS HE3 H 1 3.746 0.010 . . . . . . . 7 K HE3 . 52147 1 74 . 1 . 1 7 7 LYS C C 13 173.666 0.010 . . . . . . . 7 K C . 52147 1 75 . 1 . 1 7 7 LYS CA C 13 55.838 0.000 . . . . . . . 7 K CA . 52147 1 76 . 1 . 1 7 7 LYS CB C 13 32.550 0.000 . . . . . . . 7 K CB . 52147 1 77 . 1 . 1 7 7 LYS CG C 13 24.234 0.000 . . . . . . . 7 K CG . 52147 1 78 . 1 . 1 7 7 LYS CD C 13 28.292 0.000 . . . . . . . 7 K CD . 52147 1 79 . 1 . 1 7 7 LYS CE C 13 41.621 0.000 . . . . . . . 7 K CE . 52147 1 80 . 1 . 1 7 7 LYS N N 15 122.918 0.000 . . . . . . . 7 K N . 52147 1 81 . 1 . 1 8 8 SER H H 1 8.398 0.000 . . . . . . . 8 S H . 52147 1 82 . 1 . 1 8 8 SER HA H 1 4.201 0.010 . . . . . . . 8 S HA . 52147 1 83 . 1 . 1 8 8 SER HB2 H 1 2.857 0.010 . . . . . . . 8 S HB2 . 52147 1 84 . 1 . 1 8 8 SER HB3 H 1 3.649 0.010 . . . . . . . 8 S HB3 . 52147 1 85 . 1 . 1 8 8 SER C C 13 171.599 0.010 . . . . . . . 8 S C . 52147 1 86 . 1 . 1 8 8 SER CA C 13 57.604 0.000 . . . . . . . 8 S CA . 52147 1 87 . 1 . 1 8 8 SER CB C 13 63.270 0.010 . . . . . . . 8 S CB . 52147 1 88 . 1 . 1 8 8 SER N N 15 117.685 0.000 . . . . . . . 8 S N . 52147 1 89 . 1 . 1 9 9 VAL H H 1 8.122 0.010 . . . . . . . 9 V H . 52147 1 90 . 1 . 1 9 9 VAL HA H 1 4.233 0.010 . . . . . . . 9 V HA . 52147 1 91 . 1 . 1 9 9 VAL HB H 1 1.977 0.010 . . . . . . . 9 V HB . 52147 1 92 . 1 . 1 9 9 VAL HG11 H 1 0.759 0.000 . . . . . . . 9 V QG1 . 52147 1 93 . 1 . 1 9 9 VAL HG12 H 1 0.759 0.000 . . . . . . . 9 V QG1 . 52147 1 94 . 1 . 1 9 9 VAL HG13 H 1 0.759 0.000 . . . . . . . 9 V QG1 . 52147 1 95 . 1 . 1 9 9 VAL HG21 H 1 0.759 0.010 . . . . . . . 9 V QG2 . 52147 1 96 . 1 . 1 9 9 VAL HG22 H 1 0.759 0.010 . . . . . . . 9 V QG2 . 52147 1 97 . 1 . 1 9 9 VAL HG23 H 1 0.759 0.010 . . . . . . . 9 V QG2 . 52147 1 98 . 1 . 1 9 9 VAL C C 13 172.631 0.010 . . . . . . . 9 V C . 52147 1 99 . 1 . 1 9 9 VAL CA C 13 61.375 0.000 . . . . . . . 9 V CA . 52147 1 100 . 1 . 1 9 9 VAL CB C 13 29.990 0.010 . . . . . . . 9 V CB . 52147 1 101 . 1 . 1 9 9 VAL CG1 C 13 20.252 0.000 . . . . . . . 9 V CG1 . 52147 1 102 . 1 . 1 9 9 VAL CG2 C 13 26.004 0.000 . . . . . . . 9 V CG2 . 52147 1 103 . 1 . 1 9 9 VAL N N 15 120.965 0.000 . . . . . . . 9 V N . 52147 1 104 . 1 . 1 10 10 ASN H H 1 8.319 0.000 . . . . . . . 10 N H . 52147 1 105 . 1 . 1 10 10 ASN HA H 1 4.649 0.000 . . . . . . . 10 N HA . 52147 1 106 . 1 . 1 10 10 ASN HB2 H 1 2.293 0.000 . . . . . . . 10 N HB2 . 52147 1 107 . 1 . 1 10 10 ASN HB3 H 1 2.445 0.000 . . . . . . . 10 N HB3 . 52147 1 108 . 1 . 1 10 10 ASN HD21 H 1 6.902 0.010 . . . . . . . 10 N HD21 . 52147 1 109 . 1 . 1 10 10 ASN HD22 H 1 7.587 0.010 . . . . . . . 10 N HD22 . 52147 1 110 . 1 . 1 10 10 ASN C C 13 171.791 0.000 . . . . . . . 10 N C . 52147 1 111 . 1 . 1 10 10 ASN CA C 13 52.143 0.000 . . . . . . . 10 N CA . 52147 1 112 . 1 . 1 10 10 ASN CB C 13 39.307 0.000 . . . . . . . 10 N CB . 52147 1 113 . 1 . 1 10 10 ASN N N 15 122.185 0.000 . . . . . . . 10 N N . 52147 1 114 . 1 . 1 10 10 ASN ND2 N 15 112.284 0.010 . . . . . . . 10 N ND2 . 52147 1 115 . 1 . 1 11 11 MET H H 1 9.181 0.000 . . . . . . . 11 M H . 52147 1 116 . 1 . 1 11 11 MET HA H 1 4.623 0.000 . . . . . . . 11 M HA . 52147 1 117 . 1 . 1 11 11 MET HB2 H 1 1.919 0.000 . . . . . . . 11 M HB2 . 52147 1 118 . 1 . 1 11 11 MET HB3 H 1 1.919 0.010 . . . . . . . 11 M HB3 . 52147 1 119 . 1 . 1 11 11 MET HG2 H 1 2.343 0.000 . . . . . . . 11 M HG2 . 52147 1 120 . 1 . 1 11 11 MET HG3 H 1 2.370 0.000 . . . . . . . 11 M HG3 . 52147 1 121 . 1 . 1 11 11 MET C C 13 174.153 0.000 . . . . . . . 11 M C . 52147 1 122 . 1 . 1 11 11 MET CA C 13 53.712 0.000 . . . . . . . 11 M CA . 52147 1 123 . 1 . 1 11 11 MET CB C 13 34.424 0.000 . . . . . . . 11 M CB . 52147 1 124 . 1 . 1 11 11 MET CG C 13 30.739 0.000 . . . . . . . 11 M CG . 52147 1 125 . 1 . 1 11 11 MET N N 15 120.327 0.000 . . . . . . . 11 M N . 52147 1 126 . 1 . 1 12 12 THR H H 1 8.327 0.000 . . . . . . . 12 T H . 52147 1 127 . 1 . 1 12 12 THR HA H 1 3.541 0.000 . . . . . . . 12 T HA . 52147 1 128 . 1 . 1 12 12 THR HB H 1 3.541 0.000 . . . . . . . 12 T HB . 52147 1 129 . 1 . 1 12 12 THR HG21 H 1 0.840 0.000 . . . . . . . 12 T QG2 . 52147 1 130 . 1 . 1 12 12 THR HG22 H 1 0.840 0.000 . . . . . . . 12 T QG2 . 52147 1 131 . 1 . 1 12 12 THR HG23 H 1 0.840 0.000 . . . . . . . 12 T QG2 . 52147 1 132 . 1 . 1 12 12 THR C C 13 171.217 0.000 . . . . . . . 12 T C . 52147 1 133 . 1 . 1 12 12 THR CA C 13 60.949 0.000 . . . . . . . 12 T CA . 52147 1 134 . 1 . 1 12 12 THR CB C 13 71.307 0.000 . . . . . . . 12 T CB . 52147 1 135 . 1 . 1 12 12 THR CG2 C 13 21.564 0.000 . . . . . . . 12 T CG2 . 52147 1 136 . 1 . 1 12 12 THR N N 15 116.607 0.000 . . . . . . . 12 T N . 52147 1 137 . 1 . 1 13 13 GLU H H 1 9.459 0.000 . . . . . . . 13 E H . 52147 1 138 . 1 . 1 13 13 GLU HA H 1 4.513 0.000 . . . . . . . 13 E HA . 52147 1 139 . 1 . 1 13 13 GLU HB2 H 1 1.429 0.000 . . . . . . . 13 E HB2 . 52147 1 140 . 1 . 1 13 13 GLU HB3 H 1 1.612 0.000 . . . . . . . 13 E HB3 . 52147 1 141 . 1 . 1 13 13 GLU HG2 H 1 1.927 0.000 . . . . . . . 13 E HG2 . 52147 1 142 . 1 . 1 13 13 GLU HG3 H 1 1.927 0.000 . . . . . . . 13 E HG3 . 52147 1 143 . 1 . 1 13 13 GLU C C 13 171.857 0.000 . . . . . . . 13 E C . 52147 1 144 . 1 . 1 13 13 GLU CA C 13 54.507 0.000 . . . . . . . 13 E CA . 52147 1 145 . 1 . 1 13 13 GLU CB C 13 33.965 0.000 . . . . . . . 13 E CB . 52147 1 146 . 1 . 1 13 13 GLU CG C 13 36.148 0.000 . . . . . . . 13 E CG . 52147 1 147 . 1 . 1 13 13 GLU N N 15 126.779 0.000 . . . . . . . 13 E N . 52147 1 148 . 1 . 1 14 14 CYS H H 1 8.784 0.000 . . . . . . . 14 C H . 52147 1 149 . 1 . 1 14 14 CYS HA H 1 2.667 0.000 . . . . . . . 14 C HA . 52147 1 150 . 1 . 1 14 14 CYS HB2 H 1 2.397 0.000 . . . . . . . 14 C HB2 . 52147 1 151 . 1 . 1 14 14 CYS HB3 H 1 2.667 0.010 . . . . . . . 14 C HB3 . 52147 1 152 . 1 . 1 14 14 CYS C C 13 172.062 0.000 . . . . . . . 14 C C . 52147 1 153 . 1 . 1 14 14 CYS CA C 13 57.690 0.000 . . . . . . . 14 C CA . 52147 1 154 . 1 . 1 14 14 CYS CB C 13 27.521 0.000 . . . . . . . 14 C CB . 52147 1 155 . 1 . 1 14 14 CYS N N 15 122.143 0.000 . . . . . . . 14 C N . 52147 1 156 . 1 . 1 15 15 VAL H H 1 9.595 0.000 . . . . . . . 15 V H . 52147 1 157 . 1 . 1 15 15 VAL CA C 13 58.933 0.000 . . . . . . . 15 V CA . 52147 1 158 . 1 . 1 15 15 VAL CB C 13 32.951 0.000 . . . . . . . 15 V CB . 52147 1 159 . 1 . 1 15 15 VAL N N 15 125.806 0.000 . . . . . . . 15 V N . 52147 1 160 . 1 . 1 16 16 PRO HA H 1 4.373 0.010 . . . . . . . 16 P HA . 52147 1 161 . 1 . 1 16 16 PRO HB2 H 1 1.607 0.010 . . . . . . . 16 P HB2 . 52147 1 162 . 1 . 1 16 16 PRO HB3 H 1 2.002 0.010 . . . . . . . 16 P HB3 . 52147 1 163 . 1 . 1 16 16 PRO HG2 H 1 1.109 0.010 . . . . . . . 16 P HG2 . 52147 1 164 . 1 . 1 16 16 PRO HG3 H 1 1.454 0.010 . . . . . . . 16 P HG3 . 52147 1 165 . 1 . 1 16 16 PRO HD2 H 1 3.471 0.010 . . . . . . . 16 P HD2 . 52147 1 166 . 1 . 1 16 16 PRO HD3 H 1 3.603 0.010 . . . . . . . 16 P HD3 . 52147 1 167 . 1 . 1 16 16 PRO C C 13 173.879 0.000 . . . . . . . 16 P C . 52147 1 168 . 1 . 1 16 16 PRO CA C 13 61.717 0.010 . . . . . . . 16 P CA . 52147 1 169 . 1 . 1 16 16 PRO CB C 13 31.421 0.010 . . . . . . . 16 P CB . 52147 1 170 . 1 . 1 16 16 PRO CG C 13 27.090 0.000 . . . . . . . 16 P CG . 52147 1 171 . 1 . 1 16 16 PRO CD C 13 50.147 0.010 . . . . . . . 16 P CD . 52147 1 172 . 1 . 1 17 17 VAL H H 1 8.580 0.010 . . . . . . . 17 V H . 52147 1 173 . 1 . 1 17 17 VAL CA C 13 59.903 0.010 . . . . . . . 17 V CA . 52147 1 174 . 1 . 1 17 17 VAL CB C 13 32.516 0.010 . . . . . . . 17 V CB . 52147 1 175 . 1 . 1 17 17 VAL N N 15 120.129 0.010 . . . . . . . 17 V N . 52147 1 176 . 1 . 1 18 18 PRO HA H 1 3.913 0.010 . . . . . . . 18 P HA . 52147 1 177 . 1 . 1 18 18 PRO HB2 H 1 0.951 0.010 . . . . . . . 18 P HB2 . 52147 1 178 . 1 . 1 18 18 PRO HB3 H 1 2.127 0.010 . . . . . . . 18 P HB3 . 52147 1 179 . 1 . 1 18 18 PRO HG2 H 1 1.560 0.010 . . . . . . . 18 P HG2 . 52147 1 180 . 1 . 1 18 18 PRO HG3 H 1 1.807 0.010 . . . . . . . 18 P HG3 . 52147 1 181 . 1 . 1 18 18 PRO HD2 H 1 3.460 0.010 . . . . . . . 18 P HD2 . 52147 1 182 . 1 . 1 18 18 PRO HD3 H 1 3.604 0.010 . . . . . . . 18 P HD3 . 52147 1 183 . 1 . 1 18 18 PRO C C 13 173.759 0.000 . . . . . . . 18 P C . 52147 1 184 . 1 . 1 18 18 PRO CA C 13 65.649 0.010 . . . . . . . 18 P CA . 52147 1 185 . 1 . 1 18 18 PRO CB C 13 31.922 0.010 . . . . . . . 18 P CB . 52147 1 186 . 1 . 1 18 18 PRO CG C 13 27.070 0.000 . . . . . . . 18 P CG . 52147 1 187 . 1 . 1 18 18 PRO CD C 13 50.627 0.010 . . . . . . . 18 P CD . 52147 1 188 . 1 . 1 19 19 SER H H 1 6.835 0.010 . . . . . . . 19 S H . 52147 1 189 . 1 . 1 19 19 SER HA H 1 4.329 0.010 . . . . . . . 19 S HA . 52147 1 190 . 1 . 1 19 19 SER HB2 H 1 3.673 0.010 . . . . . . . 19 S HB2 . 52147 1 191 . 1 . 1 19 19 SER HB3 H 1 3.748 0.010 . . . . . . . 19 S HB3 . 52147 1 192 . 1 . 1 19 19 SER C C 13 171.882 0.010 . . . . . . . 19 S C . 52147 1 193 . 1 . 1 19 19 SER CA C 13 57.512 0.010 . . . . . . . 19 S CA . 52147 1 194 . 1 . 1 19 19 SER CB C 13 64.612 0.010 . . . . . . . 19 S CB . 52147 1 195 . 1 . 1 19 19 SER N N 15 105.005 0.010 . . . . . . . 19 S N . 52147 1 196 . 1 . 1 20 20 SER H H 1 8.224 0.010 . . . . . . . 20 S H . 52147 1 197 . 1 . 1 20 20 SER HA H 1 4.281 0.010 . . . . . . . 20 S HA . 52147 1 198 . 1 . 1 20 20 SER HB2 H 1 3.655 0.010 . . . . . . . 20 S HB2 . 52147 1 199 . 1 . 1 20 20 SER HB3 H 1 4.048 0.010 . . . . . . . 20 S HB3 . 52147 1 200 . 1 . 1 20 20 SER C C 13 174.071 0.010 . . . . . . . 20 S C . 52147 1 201 . 1 . 1 20 20 SER CA C 13 57.673 0.010 . . . . . . . 20 S CA . 52147 1 202 . 1 . 1 20 20 SER CB C 13 63.160 0.010 . . . . . . . 20 S CB . 52147 1 203 . 1 . 1 20 20 SER N N 15 120.888 0.010 . . . . . . . 20 S N . 52147 1 204 . 1 . 1 21 21 GLU H H 1 8.244 0.010 . . . . . . . 21 E H . 52147 1 205 . 1 . 1 21 21 GLU HA H 1 3.913 0.000 . . . . . . . 21 E HA . 52147 1 206 . 1 . 1 21 21 GLU HB2 H 1 1.851 0.010 . . . . . . . 21 E HB2 . 52147 1 207 . 1 . 1 21 21 GLU HB3 H 1 2.214 0.010 . . . . . . . 21 E HB3 . 52147 1 208 . 1 . 1 21 21 GLU HG2 H 1 2.964 0.010 . . . . . . . 21 E HG2 . 52147 1 209 . 1 . 1 21 21 GLU HG3 H 1 2.966 0.000 . . . . . . . 21 E HG3 . 52147 1 210 . 1 . 1 21 21 GLU C C 13 176.042 0.000 . . . . . . . 21 E C . 52147 1 211 . 1 . 1 21 21 GLU CA C 13 59.556 0.000 . . . . . . . 21 E CA . 52147 1 212 . 1 . 1 21 21 GLU CB C 13 29.351 0.010 . . . . . . . 21 E CB . 52147 1 213 . 1 . 1 21 21 GLU CG C 13 36.874 0.000 . . . . . . . 21 E CG . 52147 1 214 . 1 . 1 21 21 GLU N N 15 123.478 0.010 . . . . . . . 21 E N . 52147 1 215 . 1 . 1 22 22 HIS H H 1 8.067 0.000 . . . . . . . 22 H H . 52147 1 216 . 1 . 1 22 22 HIS HA H 1 3.539 0.000 . . . . . . . 22 H HA . 52147 1 217 . 1 . 1 22 22 HIS HB2 H 1 2.707 0.000 . . . . . . . 22 H HB2 . 52147 1 218 . 1 . 1 22 22 HIS HB3 H 1 3.400 0.000 . . . . . . . 22 H HB3 . 52147 1 219 . 1 . 1 22 22 HIS C C 13 174.749 0.000 . . . . . . . 22 H C . 52147 1 220 . 1 . 1 22 22 HIS CA C 13 60.599 0.000 . . . . . . . 22 H CA . 52147 1 221 . 1 . 1 22 22 HIS CB C 13 30.351 0.000 . . . . . . . 22 H CB . 52147 1 222 . 1 . 1 22 22 HIS N N 15 118.536 0.000 . . . . . . . 22 H N . 52147 1 223 . 1 . 1 23 23 VAL H H 1 7.405 0.000 . . . . . . . 23 V H . 52147 1 224 . 1 . 1 23 23 VAL HA H 1 3.346 0.000 . . . . . . . 23 V HA . 52147 1 225 . 1 . 1 23 23 VAL HB H 1 2.179 0.000 . . . . . . . 23 V HB . 52147 1 226 . 1 . 1 23 23 VAL HG11 H 1 0.611 0.000 . . . . . . . 23 V QG1 . 52147 1 227 . 1 . 1 23 23 VAL HG12 H 1 0.611 0.000 . . . . . . . 23 V QG1 . 52147 1 228 . 1 . 1 23 23 VAL HG13 H 1 0.611 0.000 . . . . . . . 23 V QG1 . 52147 1 229 . 1 . 1 23 23 VAL HG21 H 1 0.611 0.000 . . . . . . . 23 V QG2 . 52147 1 230 . 1 . 1 23 23 VAL HG22 H 1 0.611 0.000 . . . . . . . 23 V QG2 . 52147 1 231 . 1 . 1 23 23 VAL HG23 H 1 0.611 0.000 . . . . . . . 23 V QG2 . 52147 1 232 . 1 . 1 23 23 VAL C C 13 173.830 0.000 . . . . . . . 23 V C . 52147 1 233 . 1 . 1 23 23 VAL CA C 13 66.724 0.000 . . . . . . . 23 V CA . 52147 1 234 . 1 . 1 23 23 VAL CB C 13 30.778 0.000 . . . . . . . 23 V CB . 52147 1 235 . 1 . 1 23 23 VAL CG1 C 13 20.539 0.000 . . . . . . . 23 V CG1 . 52147 1 236 . 1 . 1 23 23 VAL CG2 C 13 22.336 0.000 . . . . . . . 23 V CG2 . 52147 1 237 . 1 . 1 23 23 VAL N N 15 117.345 0.000 . . . . . . . 23 V N . 52147 1 238 . 1 . 1 24 24 ALA H H 1 7.461 0.000 . . . . . . . 24 A H . 52147 1 239 . 1 . 1 24 24 ALA HA H 1 3.886 0.000 . . . . . . . 24 A HA . 52147 1 240 . 1 . 1 24 24 ALA HB1 H 1 1.230 0.000 . . . . . . . 24 A HB# . 52147 1 241 . 1 . 1 24 24 ALA HB2 H 1 1.230 0.000 . . . . . . . 24 A HB# . 52147 1 242 . 1 . 1 24 24 ALA HB3 H 1 1.230 0.000 . . . . . . . 24 A HB# . 52147 1 243 . 1 . 1 24 24 ALA C C 13 177.641 0.000 . . . . . . . 24 A C . 52147 1 244 . 1 . 1 24 24 ALA CA C 13 54.511 0.000 . . . . . . . 24 A CA . 52147 1 245 . 1 . 1 24 24 ALA CB C 13 17.479 0.000 . . . . . . . 24 A CB . 52147 1 246 . 1 . 1 24 24 ALA N N 15 118.784 0.000 . . . . . . . 24 A N . 52147 1 247 . 1 . 1 25 25 GLU H H 1 7.211 0.000 . . . . . . . 25 E H . 52147 1 248 . 1 . 1 25 25 GLU HA H 1 3.731 0.000 . . . . . . . 25 E HA . 52147 1 249 . 1 . 1 25 25 GLU HB2 H 1 1.260 0.000 . . . . . . . 25 E HB2 . 52147 1 250 . 1 . 1 25 25 GLU HB3 H 1 1.367 0.010 . . . . . . . 25 E HB3 . 52147 1 251 . 1 . 1 25 25 GLU HG2 H 1 1.419 0.010 . . . . . . . 25 E HG2 . 52147 1 252 . 1 . 1 25 25 GLU HG3 H 1 1.668 0.000 . . . . . . . 25 E HG3 . 52147 1 253 . 1 . 1 25 25 GLU C C 13 175.200 0.010 . . . . . . . 25 E C . 52147 1 254 . 1 . 1 25 25 GLU CA C 13 57.425 0.000 . . . . . . . 25 E CA . 52147 1 255 . 1 . 1 25 25 GLU CB C 13 28.001 0.000 . . . . . . . 25 E CB . 52147 1 256 . 1 . 1 25 25 GLU CG C 13 33.973 0.000 . . . . . . . 25 E CG . 52147 1 257 . 1 . 1 25 25 GLU N N 15 118.218 0.000 . . . . . . . 25 E N . 52147 1 258 . 1 . 1 26 26 ILE H H 1 7.889 0.000 . . . . . . . 26 I H . 52147 1 259 . 1 . 1 26 26 ILE HA H 1 3.424 0.000 . . . . . . . 26 I HA . 52147 1 260 . 1 . 1 26 26 ILE HB H 1 1.772 0.000 . . . . . . . 26 I HB . 52147 1 261 . 1 . 1 26 26 ILE HG12 H 1 0.347 0.010 . . . . . . . 26 I HG12 . 52147 1 262 . 1 . 1 26 26 ILE HG13 H 1 0.757 0.000 . . . . . . . 26 I HG13 . 52147 1 263 . 1 . 1 26 26 ILE HG21 H 1 0.757 0.010 . . . . . . . 26 I QG2 . 52147 1 264 . 1 . 1 26 26 ILE HG22 H 1 0.757 0.010 . . . . . . . 26 I QG2 . 52147 1 265 . 1 . 1 26 26 ILE HG23 H 1 0.757 0.010 . . . . . . . 26 I QG2 . 52147 1 266 . 1 . 1 26 26 ILE HD11 H 1 0.347 0.010 . . . . . . . 26 I QD1 . 52147 1 267 . 1 . 1 26 26 ILE HD12 H 1 0.347 0.010 . . . . . . . 26 I QD1 . 52147 1 268 . 1 . 1 26 26 ILE HD13 H 1 0.347 0.010 . . . . . . . 26 I QD1 . 52147 1 269 . 1 . 1 26 26 ILE C C 13 173.973 0.000 . . . . . . . 26 I C . 52147 1 270 . 1 . 1 26 26 ILE CA C 13 63.350 0.000 . . . . . . . 26 I CA . 52147 1 271 . 1 . 1 26 26 ILE CB C 13 38.359 0.000 . . . . . . . 26 I CB . 52147 1 272 . 1 . 1 26 26 ILE CG1 C 13 29.133 0.000 . . . . . . . 26 I CG1 . 52147 1 273 . 1 . 1 26 26 ILE CG2 C 13 16.683 0.000 . . . . . . . 26 I CG2 . 52147 1 274 . 1 . 1 26 26 ILE CD1 C 13 15.571 0.000 . . . . . . . 26 I CD1 . 52147 1 275 . 1 . 1 26 26 ILE N N 15 119.618 0.000 . . . . . . . 26 I N . 52147 1 276 . 1 . 1 27 27 VAL H H 1 8.353 0.000 . . . . . . . 27 V H . 52147 1 277 . 1 . 1 27 27 VAL HA H 1 3.728 0.000 . . . . . . . 27 V HA . 52147 1 278 . 1 . 1 27 27 VAL HB H 1 2.098 0.000 . . . . . . . 27 V HB . 52147 1 279 . 1 . 1 27 27 VAL HG11 H 1 1.109 0.000 . . . . . . . 27 V QG1 . 52147 1 280 . 1 . 1 27 27 VAL HG12 H 1 1.109 0.000 . . . . . . . 27 V QG1 . 52147 1 281 . 1 . 1 27 27 VAL HG13 H 1 1.109 0.000 . . . . . . . 27 V QG1 . 52147 1 282 . 1 . 1 27 27 VAL HG21 H 1 1.109 0.010 . . . . . . . 27 V QG2 . 52147 1 283 . 1 . 1 27 27 VAL HG22 H 1 1.109 0.010 . . . . . . . 27 V QG2 . 52147 1 284 . 1 . 1 27 27 VAL HG23 H 1 1.109 0.010 . . . . . . . 27 V QG2 . 52147 1 285 . 1 . 1 27 27 VAL C C 13 175.749 0.000 . . . . . . . 27 V C . 52147 1 286 . 1 . 1 27 27 VAL CA C 13 64.643 0.000 . . . . . . . 27 V CA . 52147 1 287 . 1 . 1 27 27 VAL CB C 13 31.879 0.000 . . . . . . . 27 V CB . 52147 1 288 . 1 . 1 27 27 VAL CG1 C 13 21.563 0.000 . . . . . . . 27 V CG1 . 52147 1 289 . 1 . 1 27 27 VAL CG2 C 13 21.563 0.000 . . . . . . . 27 V CG2 . 52147 1 290 . 1 . 1 27 27 VAL N N 15 113.527 0.000 . . . . . . . 27 V N . 52147 1 291 . 1 . 1 28 28 GLY H H 1 7.407 0.000 . . . . . . . 28 G H . 52147 1 292 . 1 . 1 28 28 GLY HA2 H 1 3.814 0.000 . . . . . . . 28 G HA2 . 52147 1 293 . 1 . 1 28 28 GLY HA3 H 1 3.989 0.000 . . . . . . . 28 G HA3 . 52147 1 294 . 1 . 1 28 28 GLY C C 13 170.957 0.000 . . . . . . . 28 G C . 52147 1 295 . 1 . 1 28 28 GLY CA C 13 43.427 0.000 . . . . . . . 28 G CA . 52147 1 296 . 1 . 1 28 28 GLY N N 15 105.002 0.000 . . . . . . . 28 G N . 52147 1 297 . 1 . 1 29 29 ARG H H 1 8.868 0.000 . . . . . . . 29 R H . 52147 1 298 . 1 . 1 29 29 ARG HA H 1 3.813 0.010 . . . . . . . 29 R HA . 52147 1 299 . 1 . 1 29 29 ARG HB2 H 1 1.580 0.010 . . . . . . . 29 R HB2 . 52147 1 300 . 1 . 1 29 29 ARG HB3 H 1 1.593 0.010 . . . . . . . 29 R HB3 . 52147 1 301 . 1 . 1 29 29 ARG HG2 H 1 1.381 0.010 . . . . . . . 29 R HG2 . 52147 1 302 . 1 . 1 29 29 ARG HG3 H 1 1.587 0.010 . . . . . . . 29 R HG3 . 52147 1 303 . 1 . 1 29 29 ARG HD2 H 1 3.004 0.010 . . . . . . . 29 R HD2 . 52147 1 304 . 1 . 1 29 29 ARG HD3 H 1 3.009 0.010 . . . . . . . 29 R HD3 . 52147 1 305 . 1 . 1 29 29 ARG C C 13 174.109 0.010 . . . . . . . 29 R C . 52147 1 306 . 1 . 1 29 29 ARG CA C 13 57.797 0.010 . . . . . . . 29 R CA . 52147 1 307 . 1 . 1 29 29 ARG CB C 13 28.990 0.010 . . . . . . . 29 R CB . 52147 1 308 . 1 . 1 29 29 ARG CG C 13 26.224 0.010 . . . . . . . 29 R CG . 52147 1 309 . 1 . 1 29 29 ARG CD C 13 42.789 0.010 . . . . . . . 29 R CD . 52147 1 310 . 1 . 1 29 29 ARG N N 15 123.171 0.000 . . . . . . . 29 R N . 52147 1 311 . 1 . 1 30 30 GLN H H 1 8.718 0.010 . . . . . . . 30 Q H . 52147 1 312 . 1 . 1 30 30 GLN HA H 1 3.819 0.010 . . . . . . . 30 Q HA . 52147 1 313 . 1 . 1 30 30 GLN HB2 H 1 1.939 0.010 . . . . . . . 30 Q HB2 . 52147 1 314 . 1 . 1 30 30 GLN HB3 H 1 2.191 0.010 . . . . . . . 30 Q HB3 . 52147 1 315 . 1 . 1 30 30 GLN HG2 H 1 2.180 0.010 . . . . . . . 30 Q HG2 . 52147 1 316 . 1 . 1 30 30 GLN HG3 H 1 2.180 0.010 . . . . . . . 30 Q HG3 . 52147 1 317 . 1 . 1 30 30 GLN HE21 H 1 8.187 0.010 . . . . . . . 30 Q HE21 . 52147 1 318 . 1 . 1 30 30 GLN HE22 H 1 8.321 0.010 . . . . . . . 30 Q HE22 . 52147 1 319 . 1 . 1 30 30 GLN C C 13 173.366 0.010 . . . . . . . 30 Q C . 52147 1 320 . 1 . 1 30 30 GLN CA C 13 56.298 0.000 . . . . . . . 30 Q CA . 52147 1 321 . 1 . 1 30 30 GLN CB C 13 29.045 0.010 . . . . . . . 30 Q CB . 52147 1 322 . 1 . 1 30 30 GLN CG C 13 34.169 0.010 . . . . . . . 30 Q CG . 52147 1 323 . 1 . 1 30 30 GLN N N 15 113.925 0.010 . . . . . . . 30 Q N . 52147 1 324 . 1 . 1 30 30 GLN NE2 N 15 116.181 0.010 . . . . . . . 30 Q NE2 . 52147 1 325 . 1 . 1 31 31 GLY H H 1 8.041 0.010 . . . . . . . 31 G H . 52147 1 326 . 1 . 1 31 31 GLY HA2 H 1 3.628 0.000 . . . . . . . 31 G HA2 . 52147 1 327 . 1 . 1 31 31 GLY HA3 H 1 3.838 0.000 . . . . . . . 31 G HA3 . 52147 1 328 . 1 . 1 31 31 GLY C C 13 174.092 0.000 . . . . . . . 31 G C . 52147 1 329 . 1 . 1 31 31 GLY CA C 13 45.968 0.000 . . . . . . . 31 G CA . 52147 1 330 . 1 . 1 31 31 GLY N N 15 105.501 0.010 . . . . . . . 31 G N . 52147 1 331 . 1 . 1 32 32 CYS H H 1 7.788 0.000 . . . . . . . 32 C H . 52147 1 332 . 1 . 1 32 32 CYS HA H 1 4.019 0.000 . . . . . . . 32 C HA . 52147 1 333 . 1 . 1 32 32 CYS HB2 H 1 2.891 0.000 . . . . . . . 32 C HB2 . 52147 1 334 . 1 . 1 32 32 CYS HB3 H 1 2.981 0.000 . . . . . . . 32 C HB3 . 52147 1 335 . 1 . 1 32 32 CYS C C 13 173.904 0.010 . . . . . . . 32 C C . 52147 1 336 . 1 . 1 32 32 CYS CA C 13 60.377 0.000 . . . . . . . 32 C CA . 52147 1 337 . 1 . 1 32 32 CYS CB C 13 26.573 0.000 . . . . . . . 32 C CB . 52147 1 338 . 1 . 1 32 32 CYS N N 15 116.818 0.000 . . . . . . . 32 C N . 52147 1 339 . 1 . 1 33 33 LYS H H 1 8.079 0.000 . . . . . . . 33 K H . 52147 1 340 . 1 . 1 33 33 LYS HA H 1 4.097 0.010 . . . . . . . 33 K HA . 52147 1 341 . 1 . 1 33 33 LYS HB2 H 1 1.595 0.000 . . . . . . . 33 K HB2 . 52147 1 342 . 1 . 1 33 33 LYS HB3 H 1 1.658 0.010 . . . . . . . 33 K HB3 . 52147 1 343 . 1 . 1 33 33 LYS HG2 H 1 1.249 0.010 . . . . . . . 33 K HG2 . 52147 1 344 . 1 . 1 33 33 LYS HG3 H 1 1.437 0.010 . . . . . . . 33 K HG3 . 52147 1 345 . 1 . 1 33 33 LYS HD2 H 1 1.440 0.010 . . . . . . . 33 K HD2 . 52147 1 346 . 1 . 1 33 33 LYS HD3 H 1 1.598 0.010 . . . . . . . 33 K HD3 . 52147 1 347 . 1 . 1 33 33 LYS HE2 H 1 2.807 0.010 . . . . . . . 33 K HE2 . 52147 1 348 . 1 . 1 33 33 LYS HE3 H 1 2.985 0.000 . . . . . . . 33 K HE3 . 52147 1 349 . 1 . 1 33 33 LYS C C 13 177.324 0.010 . . . . . . . 33 K C . 52147 1 350 . 1 . 1 33 33 LYS CA C 13 58.911 0.010 . . . . . . . 33 K CA . 52147 1 351 . 1 . 1 33 33 LYS CB C 13 31.237 0.000 . . . . . . . 33 K CB . 52147 1 352 . 1 . 1 33 33 LYS CG C 13 25.901 0.010 . . . . . . . 33 K CG . 52147 1 353 . 1 . 1 33 33 LYS CD C 13 29.108 0.000 . . . . . . . 33 K CD . 52147 1 354 . 1 . 1 33 33 LYS CE C 13 41.749 0.000 . . . . . . . 33 K CE . 52147 1 355 . 1 . 1 33 33 LYS N N 15 122.820 0.000 . . . . . . . 33 K N . 52147 1 356 . 1 . 1 34 34 ILE H H 1 7.858 0.010 . . . . . . . 34 I H . 52147 1 357 . 1 . 1 34 34 ILE HA H 1 4.027 0.000 . . . . . . . 34 I HA . 52147 1 358 . 1 . 1 34 34 ILE HB H 1 1.886 0.010 . . . . . . . 34 I HB . 52147 1 359 . 1 . 1 34 34 ILE HG12 H 1 0.744 0.010 . . . . . . . 34 I HG12 . 52147 1 360 . 1 . 1 34 34 ILE HG13 H 1 2.788 0.010 . . . . . . . 34 I HG13 . 52147 1 361 . 1 . 1 34 34 ILE HG21 H 1 0.658 0.010 . . . . . . . 34 I QG2 . 52147 1 362 . 1 . 1 34 34 ILE HG22 H 1 0.658 0.010 . . . . . . . 34 I QG2 . 52147 1 363 . 1 . 1 34 34 ILE HG23 H 1 0.658 0.010 . . . . . . . 34 I QG2 . 52147 1 364 . 1 . 1 34 34 ILE HD11 H 1 0.652 0.010 . . . . . . . 34 I QD1 . 52147 1 365 . 1 . 1 34 34 ILE HD12 H 1 0.652 0.010 . . . . . . . 34 I QD1 . 52147 1 366 . 1 . 1 34 34 ILE HD13 H 1 0.652 0.010 . . . . . . . 34 I QD1 . 52147 1 367 . 1 . 1 34 34 ILE C C 13 173.231 0.010 . . . . . . . 34 I C . 52147 1 368 . 1 . 1 34 34 ILE CA C 13 59.942 0.010 . . . . . . . 34 I CA . 52147 1 369 . 1 . 1 34 34 ILE CB C 13 32.601 0.000 . . . . . . . 34 I CB . 52147 1 370 . 1 . 1 34 34 ILE CG1 C 13 27.759 0.010 . . . . . . . 34 I CG1 . 52147 1 371 . 1 . 1 34 34 ILE CG2 C 13 20.754 0.000 . . . . . . . 34 I CG2 . 52147 1 372 . 1 . 1 34 34 ILE CD1 C 13 9.556 0.000 . . . . . . . 34 I CD1 . 52147 1 373 . 1 . 1 34 34 ILE N N 15 122.844 0.010 . . . . . . . 34 I N . 52147 1 374 . 1 . 1 35 35 LYS H H 1 8.254 0.000 . . . . . . . 35 K H . 52147 1 375 . 1 . 1 35 35 LYS HA H 1 3.751 0.000 . . . . . . . 35 K HA . 52147 1 376 . 1 . 1 35 35 LYS HB2 H 1 1.679 0.000 . . . . . . . 35 K HB2 . 52147 1 377 . 1 . 1 35 35 LYS HB3 H 1 1.679 0.000 . . . . . . . 35 K HB3 . 52147 1 378 . 1 . 1 35 35 LYS HG2 H 1 1.233 0.000 . . . . . . . 35 K HG2 . 52147 1 379 . 1 . 1 35 35 LYS HG3 H 1 1.453 0.010 . . . . . . . 35 K HG3 . 52147 1 380 . 1 . 1 35 35 LYS HD2 H 1 1.453 0.010 . . . . . . . 35 K HD2 . 52147 1 381 . 1 . 1 35 35 LYS HD3 H 1 1.453 0.010 . . . . . . . 35 K HD3 . 52147 1 382 . 1 . 1 35 35 LYS HE2 H 1 2.813 0.000 . . . . . . . 35 K HE2 . 52147 1 383 . 1 . 1 35 35 LYS HE3 H 1 2.813 0.010 . . . . . . . 35 K HE3 . 52147 1 384 . 1 . 1 35 35 LYS C C 13 176.594 0.000 . . . . . . . 35 K C . 52147 1 385 . 1 . 1 35 35 LYS CA C 13 59.792 0.000 . . . . . . . 35 K CA . 52147 1 386 . 1 . 1 35 35 LYS CB C 13 31.880 0.000 . . . . . . . 35 K CB . 52147 1 387 . 1 . 1 35 35 LYS CG C 13 25.379 0.000 . . . . . . . 35 K CG . 52147 1 388 . 1 . 1 35 35 LYS CD C 13 29.325 0.000 . . . . . . . 35 K CD . 52147 1 389 . 1 . 1 35 35 LYS CE C 13 41.691 0.000 . . . . . . . 35 K CE . 52147 1 390 . 1 . 1 35 35 LYS N N 15 123.239 0.000 . . . . . . . 35 K N . 52147 1 391 . 1 . 1 36 36 ALA H H 1 7.335 0.000 . . . . . . . 36 A H . 52147 1 392 . 1 . 1 36 36 ALA HA H 1 4.055 0.000 . . . . . . . 36 A HA . 52147 1 393 . 1 . 1 36 36 ALA HB1 H 1 1.326 0.000 . . . . . . . 36 A HB# . 52147 1 394 . 1 . 1 36 36 ALA HB2 H 1 1.326 0.000 . . . . . . . 36 A HB# . 52147 1 395 . 1 . 1 36 36 ALA HB3 H 1 1.326 0.000 . . . . . . . 36 A HB# . 52147 1 396 . 1 . 1 36 36 ALA C C 13 177.206 0.000 . . . . . . . 36 A C . 52147 1 397 . 1 . 1 36 36 ALA CA C 13 54.209 0.000 . . . . . . . 36 A CA . 52147 1 398 . 1 . 1 36 36 ALA CB C 13 17.211 0.000 . . . . . . . 36 A CB . 52147 1 399 . 1 . 1 36 36 ALA N N 15 121.382 0.000 . . . . . . . 36 A N . 52147 1 400 . 1 . 1 37 37 LEU H H 1 7.933 0.000 . . . . . . . 37 L H . 52147 1 401 . 1 . 1 37 37 LEU HA H 1 4.016 0.000 . . . . . . . 37 L HA . 52147 1 402 . 1 . 1 37 37 LEU HB2 H 1 1.408 0.000 . . . . . . . 37 L HB2 . 52147 1 403 . 1 . 1 37 37 LEU HB3 H 1 1.574 0.000 . . . . . . . 37 L HB3 . 52147 1 404 . 1 . 1 37 37 LEU HG H 1 1.128 0.000 . . . . . . . 37 L HG . 52147 1 405 . 1 . 1 37 37 LEU HD11 H 1 0.661 0.000 . . . . . . . 37 L QD1 . 52147 1 406 . 1 . 1 37 37 LEU HD12 H 1 0.661 0.000 . . . . . . . 37 L QD1 . 52147 1 407 . 1 . 1 37 37 LEU HD13 H 1 0.661 0.000 . . . . . . . 37 L QD1 . 52147 1 408 . 1 . 1 37 37 LEU HD21 H 1 0.548 0.000 . . . . . . . 37 L QD2 . 52147 1 409 . 1 . 1 37 37 LEU HD22 H 1 0.548 0.000 . . . . . . . 37 L QD2 . 52147 1 410 . 1 . 1 37 37 LEU HD23 H 1 0.548 0.000 . . . . . . . 37 L QD2 . 52147 1 411 . 1 . 1 37 37 LEU C C 13 177.717 0.000 . . . . . . . 37 L C . 52147 1 412 . 1 . 1 37 37 LEU CA C 13 57.333 0.000 . . . . . . . 37 L CA . 52147 1 413 . 1 . 1 37 37 LEU CB C 13 41.121 0.000 . . . . . . . 37 L CB . 52147 1 414 . 1 . 1 37 37 LEU CG C 13 26.629 0.000 . . . . . . . 37 L CG . 52147 1 415 . 1 . 1 37 37 LEU CD1 C 13 23.471 0.000 . . . . . . . 37 L CD1 . 52147 1 416 . 1 . 1 37 37 LEU CD2 C 13 24.619 0.000 . . . . . . . 37 L CD2 . 52147 1 417 . 1 . 1 37 37 LEU N N 15 121.212 0.000 . . . . . . . 37 L N . 52147 1 418 . 1 . 1 38 38 ARG H H 1 8.624 0.000 . . . . . . . 38 R H . 52147 1 419 . 1 . 1 38 38 ARG HA H 1 3.681 0.000 . . . . . . . 38 R HA . 52147 1 420 . 1 . 1 38 38 ARG HB2 H 1 1.736 0.000 . . . . . . . 38 R HB2 . 52147 1 421 . 1 . 1 38 38 ARG HB3 H 1 1.925 0.000 . . . . . . . 38 R HB3 . 52147 1 422 . 1 . 1 38 38 ARG HG2 H 1 1.362 0.000 . . . . . . . 38 R HG2 . 52147 1 423 . 1 . 1 38 38 ARG HG3 H 1 1.726 0.010 . . . . . . . 38 R HG3 . 52147 1 424 . 1 . 1 38 38 ARG HD2 H 1 3.035 0.000 . . . . . . . 38 R HD2 . 52147 1 425 . 1 . 1 38 38 ARG HD3 H 1 3.682 0.010 . . . . . . . 38 R HD3 . 52147 1 426 . 1 . 1 38 38 ARG C C 13 175.443 0.000 . . . . . . . 38 R C . 52147 1 427 . 1 . 1 38 38 ARG CA C 13 59.232 0.000 . . . . . . . 38 R CA . 52147 1 428 . 1 . 1 38 38 ARG CB C 13 30.406 0.000 . . . . . . . 38 R CB . 52147 1 429 . 1 . 1 38 38 ARG CG C 13 27.147 0.000 . . . . . . . 38 R CG . 52147 1 430 . 1 . 1 38 38 ARG CD C 13 44.330 0.000 . . . . . . . 38 R CD . 52147 1 431 . 1 . 1 38 38 ARG N N 15 121.927 0.000 . . . . . . . 38 R N . 52147 1 432 . 1 . 1 39 39 ALA H H 1 7.412 0.000 . . . . . . . 39 A H . 52147 1 433 . 1 . 1 39 39 ALA HA H 1 4.037 0.000 . . . . . . . 39 A HA . 52147 1 434 . 1 . 1 39 39 ALA HB1 H 1 1.317 0.000 . . . . . . . 39 A HB# . 52147 1 435 . 1 . 1 39 39 ALA HB2 H 1 1.317 0.000 . . . . . . . 39 A HB# . 52147 1 436 . 1 . 1 39 39 ALA HB3 H 1 1.317 0.000 . . . . . . . 39 A HB# . 52147 1 437 . 1 . 1 39 39 ALA C C 13 177.144 0.000 . . . . . . . 39 A C . 52147 1 438 . 1 . 1 39 39 ALA CA C 13 54.051 0.000 . . . . . . . 39 A CA . 52147 1 439 . 1 . 1 39 39 ALA CB C 13 17.669 0.000 . . . . . . . 39 A CB . 52147 1 440 . 1 . 1 39 39 ALA N N 15 119.121 0.000 . . . . . . . 39 A N . 52147 1 441 . 1 . 1 40 40 LYS H H 1 8.193 0.000 . . . . . . . 40 K H . 52147 1 442 . 1 . 1 40 40 LYS HA H 1 3.931 0.000 . . . . . . . 40 K HA . 52147 1 443 . 1 . 1 40 40 LYS HB2 H 1 1.669 0.000 . . . . . . . 40 K HB2 . 52147 1 444 . 1 . 1 40 40 LYS HB3 H 1 1.835 0.000 . . . . . . . 40 K HB3 . 52147 1 445 . 1 . 1 40 40 LYS HG2 H 1 1.255 0.000 . . . . . . . 40 K HG2 . 52147 1 446 . 1 . 1 40 40 LYS HG3 H 1 1.396 0.010 . . . . . . . 40 K HG3 . 52147 1 447 . 1 . 1 40 40 LYS HD2 H 1 1.478 0.010 . . . . . . . 40 K HD2 . 52147 1 448 . 1 . 1 40 40 LYS HD3 H 1 1.484 0.010 . . . . . . . 40 K HD3 . 52147 1 449 . 1 . 1 40 40 LYS HE2 H 1 2.673 0.000 . . . . . . . 40 K HE2 . 52147 1 450 . 1 . 1 40 40 LYS HE3 H 1 2.673 0.010 . . . . . . . 40 K HE3 . 52147 1 451 . 1 . 1 40 40 LYS C C 13 174.872 0.000 . . . . . . . 40 K C . 52147 1 452 . 1 . 1 40 40 LYS CA C 13 58.112 0.000 . . . . . . . 40 K CA . 52147 1 453 . 1 . 1 40 40 LYS CB C 13 32.671 0.000 . . . . . . . 40 K CB . 52147 1 454 . 1 . 1 40 40 LYS CG C 13 24.371 0.000 . . . . . . . 40 K CG . 52147 1 455 . 1 . 1 40 40 LYS CD C 13 28.942 0.000 . . . . . . . 40 K CD . 52147 1 456 . 1 . 1 40 40 LYS CE C 13 41.371 0.000 . . . . . . . 40 K CE . 52147 1 457 . 1 . 1 40 40 LYS N N 15 117.299 0.000 . . . . . . . 40 K N . 52147 1 458 . 1 . 1 41 41 THR H H 1 7.517 0.000 . . . . . . . 41 T H . 52147 1 459 . 1 . 1 41 41 THR HA H 1 4.232 0.000 . . . . . . . 41 T HA . 52147 1 460 . 1 . 1 41 41 THR HB H 1 4.232 0.000 . . . . . . . 41 T HB . 52147 1 461 . 1 . 1 41 41 THR HG21 H 1 0.905 0.000 . . . . . . . 41 T QG2 . 52147 1 462 . 1 . 1 41 41 THR HG22 H 1 0.905 0.000 . . . . . . . 41 T QG2 . 52147 1 463 . 1 . 1 41 41 THR HG23 H 1 0.905 0.000 . . . . . . . 41 T QG2 . 52147 1 464 . 1 . 1 41 41 THR C C 13 169.854 0.000 . . . . . . . 41 T C . 52147 1 465 . 1 . 1 41 41 THR CA C 13 60.421 0.000 . . . . . . . 41 T CA . 52147 1 466 . 1 . 1 41 41 THR CB C 13 70.011 0.000 . . . . . . . 41 T CB . 52147 1 467 . 1 . 1 41 41 THR CG2 C 13 21.560 0.000 . . . . . . . 41 T CG2 . 52147 1 468 . 1 . 1 41 41 THR N N 15 103.566 0.000 . . . . . . . 41 T N . 52147 1 469 . 1 . 1 42 42 ASN H H 1 7.743 0.000 . . . . . . . 42 N H . 52147 1 470 . 1 . 1 42 42 ASN HA H 1 4.187 0.000 . . . . . . . 42 N HA . 52147 1 471 . 1 . 1 42 42 ASN HB2 H 1 2.564 0.000 . . . . . . . 42 N HB2 . 52147 1 472 . 1 . 1 42 42 ASN HB3 H 1 2.936 0.000 . . . . . . . 42 N HB3 . 52147 1 473 . 1 . 1 42 42 ASN HD21 H 1 6.813 0.010 . . . . . . . 42 N HD21 . 52147 1 474 . 1 . 1 42 42 ASN HD22 H 1 7.497 0.010 . . . . . . . 42 N HD22 . 52147 1 475 . 1 . 1 42 42 ASN C C 13 172.793 0.000 . . . . . . . 42 N C . 52147 1 476 . 1 . 1 42 42 ASN CA C 13 53.819 0.000 . . . . . . . 42 N CA . 52147 1 477 . 1 . 1 42 42 ASN CB C 13 36.922 0.000 . . . . . . . 42 N CB . 52147 1 478 . 1 . 1 42 42 ASN N N 15 116.531 0.000 . . . . . . . 42 N N . 52147 1 479 . 1 . 1 42 42 ASN ND2 N 15 112.303 0.010 . . . . . . . 42 N ND2 . 52147 1 480 . 1 . 1 43 43 THR H H 1 7.832 0.000 . . . . . . . 43 T H . 52147 1 481 . 1 . 1 43 43 THR HA H 1 4.640 0.010 . . . . . . . 43 T HA . 52147 1 482 . 1 . 1 43 43 THR HB H 1 4.640 0.010 . . . . . . . 43 T HB . 52147 1 483 . 1 . 1 43 43 THR HG21 H 1 0.673 0.000 . . . . . . . 43 T QG2 . 52147 1 484 . 1 . 1 43 43 THR HG22 H 1 0.673 0.000 . . . . . . . 43 T QG2 . 52147 1 485 . 1 . 1 43 43 THR HG23 H 1 0.673 0.000 . . . . . . . 43 T QG2 . 52147 1 486 . 1 . 1 43 43 THR C C 13 172.230 0.000 . . . . . . . 43 T C . 52147 1 487 . 1 . 1 43 43 THR CA C 13 58.963 0.000 . . . . . . . 43 T CA . 52147 1 488 . 1 . 1 43 43 THR CB C 13 71.016 0.000 . . . . . . . 43 T CB . 52147 1 489 . 1 . 1 43 43 THR CG2 C 13 22.145 0.000 . . . . . . . 43 T CG2 . 52147 1 490 . 1 . 1 43 43 THR N N 15 105.931 0.000 . . . . . . . 43 T N . 52147 1 491 . 1 . 1 44 44 TYR H H 1 8.685 0.000 . . . . . . . 44 Y H . 52147 1 492 . 1 . 1 44 44 TYR HA H 1 4.364 0.000 . . . . . . . 44 Y HA . 52147 1 493 . 1 . 1 44 44 TYR HB2 H 1 2.739 0.000 . . . . . . . 44 Y HB2 . 52147 1 494 . 1 . 1 44 44 TYR HB3 H 1 2.739 0.010 . . . . . . . 44 Y HB3 . 52147 1 495 . 1 . 1 44 44 TYR C C 13 172.394 0.000 . . . . . . . 44 Y C . 52147 1 496 . 1 . 1 44 44 TYR CA C 13 57.145 0.000 . . . . . . . 44 Y CA . 52147 1 497 . 1 . 1 44 44 TYR CB C 13 38.639 0.000 . . . . . . . 44 Y CB . 52147 1 498 . 1 . 1 44 44 TYR N N 15 119.932 0.000 . . . . . . . 44 Y N . 52147 1 499 . 1 . 1 45 45 ILE H H 1 6.708 0.000 . . . . . . . 45 I H . 52147 1 500 . 1 . 1 45 45 ILE HA H 1 4.765 0.000 . . . . . . . 45 I HA . 52147 1 501 . 1 . 1 45 45 ILE HB H 1 1.107 0.000 . . . . . . . 45 I HB . 52147 1 502 . 1 . 1 45 45 ILE HG12 H 1 -0.199 0.010 . . . . . . . 45 I HG12 . 52147 1 503 . 1 . 1 45 45 ILE HG13 H 1 1.109 0.010 . . . . . . . 45 I HG13 . 52147 1 504 . 1 . 1 45 45 ILE HG21 H 1 0.548 0.010 . . . . . . . 45 I QG2 . 52147 1 505 . 1 . 1 45 45 ILE HG22 H 1 0.548 0.010 . . . . . . . 45 I QG2 . 52147 1 506 . 1 . 1 45 45 ILE HG23 H 1 0.548 0.010 . . . . . . . 45 I QG2 . 52147 1 507 . 1 . 1 45 45 ILE HD11 H 1 -0.199 0.010 . . . . . . . 45 I QD1 . 52147 1 508 . 1 . 1 45 45 ILE HD12 H 1 -0.199 0.010 . . . . . . . 45 I QD1 . 52147 1 509 . 1 . 1 45 45 ILE HD13 H 1 -0.199 0.010 . . . . . . . 45 I QD1 . 52147 1 510 . 1 . 1 45 45 ILE C C 13 171.279 0.000 . . . . . . . 45 I C . 52147 1 511 . 1 . 1 45 45 ILE CA C 13 59.526 0.000 . . . . . . . 45 I CA . 52147 1 512 . 1 . 1 45 45 ILE CB C 13 40.931 0.000 . . . . . . . 45 I CB . 52147 1 513 . 1 . 1 45 45 ILE CG1 C 13 27.247 0.000 . . . . . . . 45 I CG1 . 52147 1 514 . 1 . 1 45 45 ILE CG2 C 13 17.082 0.000 . . . . . . . 45 I CG2 . 52147 1 515 . 1 . 1 45 45 ILE CD1 C 13 12.829 0.000 . . . . . . . 45 I CD1 . 52147 1 516 . 1 . 1 45 45 ILE N N 15 123.106 0.000 . . . . . . . 45 I N . 52147 1 517 . 1 . 1 46 46 LYS H H 1 9.300 0.000 . . . . . . . 46 K H . 52147 1 518 . 1 . 1 46 46 LYS HA H 1 4.368 0.000 . . . . . . . 46 K HA . 52147 1 519 . 1 . 1 46 46 LYS HB2 H 1 1.604 0.000 . . . . . . . 46 K HB2 . 52147 1 520 . 1 . 1 46 46 LYS HB3 H 1 1.647 0.000 . . . . . . . 46 K HB3 . 52147 1 521 . 1 . 1 46 46 LYS HG2 H 1 1.089 0.000 . . . . . . . 46 K HG2 . 52147 1 522 . 1 . 1 46 46 LYS HG3 H 1 1.353 0.010 . . . . . . . 46 K HG3 . 52147 1 523 . 1 . 1 46 46 LYS HD2 H 1 1.353 0.010 . . . . . . . 46 K HD2 . 52147 1 524 . 1 . 1 46 46 LYS HD3 H 1 1.605 0.010 . . . . . . . 46 K HD3 . 52147 1 525 . 1 . 1 46 46 LYS HE2 H 1 2.809 0.000 . . . . . . . 46 K HE2 . 52147 1 526 . 1 . 1 46 46 LYS HE3 H 1 2.807 0.010 . . . . . . . 46 K HE3 . 52147 1 527 . 1 . 1 46 46 LYS C C 13 173.482 0.000 . . . . . . . 46 K C . 52147 1 528 . 1 . 1 46 46 LYS CA C 13 54.405 0.000 . . . . . . . 46 K CA . 52147 1 529 . 1 . 1 46 46 LYS CB C 13 33.703 0.000 . . . . . . . 46 K CB . 52147 1 530 . 1 . 1 46 46 LYS CG C 13 24.154 0.000 . . . . . . . 46 K CG . 52147 1 531 . 1 . 1 46 46 LYS CD C 13 28.799 0.000 . . . . . . . 46 K CD . 52147 1 532 . 1 . 1 46 46 LYS CE C 13 41.351 0.000 . . . . . . . 46 K CE . 52147 1 533 . 1 . 1 46 46 LYS N N 15 130.517 0.000 . . . . . . . 46 K N . 52147 1 534 . 1 . 1 47 47 THR H H 1 8.664 0.000 . . . . . . . 47 T H . 52147 1 535 . 1 . 1 47 47 THR CA C 13 58.710 0.000 . . . . . . . 47 T CA . 52147 1 536 . 1 . 1 47 47 THR CB C 13 67.916 0.000 . . . . . . . 47 T CB . 52147 1 537 . 1 . 1 47 47 THR N N 15 123.782 0.000 . . . . . . . 47 T N . 52147 1 538 . 1 . 1 48 48 PRO HA H 1 4.192 0.010 . . . . . . . 48 P HA . 52147 1 539 . 1 . 1 48 48 PRO HB2 H 1 1.520 0.010 . . . . . . . 48 P HB2 . 52147 1 540 . 1 . 1 48 48 PRO HB3 H 1 1.995 0.010 . . . . . . . 48 P HB3 . 52147 1 541 . 1 . 1 48 48 PRO HG2 H 1 1.801 0.010 . . . . . . . 48 P HG2 . 52147 1 542 . 1 . 1 48 48 PRO HG3 H 1 1.789 0.010 . . . . . . . 48 P HG3 . 52147 1 543 . 1 . 1 48 48 PRO HD2 H 1 3.479 0.010 . . . . . . . 48 P HD2 . 52147 1 544 . 1 . 1 48 48 PRO HD3 H 1 3.603 0.010 . . . . . . . 48 P HD3 . 52147 1 545 . 1 . 1 48 48 PRO C C 13 173.891 0.000 . . . . . . . 48 P C . 52147 1 546 . 1 . 1 48 48 PRO CA C 13 62.237 0.010 . . . . . . . 48 P CA . 52147 1 547 . 1 . 1 48 48 PRO CB C 13 31.356 0.010 . . . . . . . 48 P CB . 52147 1 548 . 1 . 1 48 48 PRO CG C 13 27.018 0.000 . . . . . . . 48 P CG . 52147 1 549 . 1 . 1 48 48 PRO CD C 13 50.211 0.010 . . . . . . . 48 P CD . 52147 1 550 . 1 . 1 49 49 VAL H H 1 8.105 0.010 . . . . . . . 49 V H . 52147 1 551 . 1 . 1 49 49 VAL HA H 1 3.856 0.010 . . . . . . . 49 V HA . 52147 1 552 . 1 . 1 49 49 VAL HB H 1 1.819 0.010 . . . . . . . 49 V HB . 52147 1 553 . 1 . 1 49 49 VAL HG11 H 1 0.730 0.010 . . . . . . . 49 V QG1 . 52147 1 554 . 1 . 1 49 49 VAL HG12 H 1 0.730 0.010 . . . . . . . 49 V QG1 . 52147 1 555 . 1 . 1 49 49 VAL HG13 H 1 0.730 0.010 . . . . . . . 49 V QG1 . 52147 1 556 . 1 . 1 49 49 VAL HG21 H 1 0.739 0.010 . . . . . . . 49 V QG2 . 52147 1 557 . 1 . 1 49 49 VAL HG22 H 1 0.739 0.010 . . . . . . . 49 V QG2 . 52147 1 558 . 1 . 1 49 49 VAL HG23 H 1 0.739 0.010 . . . . . . . 49 V QG2 . 52147 1 559 . 1 . 1 49 49 VAL C C 13 173.258 0.000 . . . . . . . 49 V C . 52147 1 560 . 1 . 1 49 49 VAL CA C 13 61.684 0.010 . . . . . . . 49 V CA . 52147 1 561 . 1 . 1 49 49 VAL CB C 13 32.439 0.010 . . . . . . . 49 V CB . 52147 1 562 . 1 . 1 49 49 VAL CG1 C 13 20.700 0.010 . . . . . . . 49 V CG1 . 52147 1 563 . 1 . 1 49 49 VAL CG2 C 13 20.726 0.010 . . . . . . . 49 V CG2 . 52147 1 564 . 1 . 1 49 49 VAL N N 15 120.066 0.000 . . . . . . . 49 V N . 52147 1 565 . 1 . 1 50 50 ARG H H 1 8.476 0.010 . . . . . . . 50 R H . 52147 1 566 . 1 . 1 50 50 ARG HA H 1 4.117 0.010 . . . . . . . 50 R HA . 52147 1 567 . 1 . 1 50 50 ARG HB2 H 1 1.602 0.000 . . . . . . . 50 R HB2 . 52147 1 568 . 1 . 1 50 50 ARG HB3 H 1 1.618 0.000 . . . . . . . 50 R HB3 . 52147 1 569 . 1 . 1 50 50 ARG HG2 H 1 1.430 0.010 . . . . . . . 50 R HG2 . 52147 1 570 . 1 . 1 50 50 ARG HG3 H 1 1.423 0.010 . . . . . . . 50 R HG3 . 52147 1 571 . 1 . 1 50 50 ARG HD2 H 1 3.001 0.000 . . . . . . . 50 R HD2 . 52147 1 572 . 1 . 1 50 50 ARG HD3 H 1 2.999 0.010 . . . . . . . 50 R HD3 . 52147 1 573 . 1 . 1 50 50 ARG C C 13 173.805 0.000 . . . . . . . 50 R C . 52147 1 574 . 1 . 1 50 50 ARG CA C 13 55.817 0.010 . . . . . . . 50 R CA . 52147 1 575 . 1 . 1 50 50 ARG CB C 13 30.000 0.010 . . . . . . . 50 R CB . 52147 1 576 . 1 . 1 50 50 ARG CG C 13 30.107 0.010 . . . . . . . 50 R CG . 52147 1 577 . 1 . 1 50 50 ARG CD C 13 42.748 0.000 . . . . . . . 50 R CD . 52147 1 578 . 1 . 1 50 50 ARG N N 15 125.348 0.010 . . . . . . . 50 R N . 52147 1 579 . 1 . 1 51 51 GLY H H 1 8.506 0.010 . . . . . . . 51 G H . 52147 1 580 . 1 . 1 51 51 GLY HA2 H 1 3.464 0.000 . . . . . . . 51 G HA2 . 52147 1 581 . 1 . 1 51 51 GLY HA3 H 1 4.082 0.000 . . . . . . . 51 G HA3 . 52147 1 582 . 1 . 1 51 51 GLY C C 13 171.599 0.000 . . . . . . . 51 G C . 52147 1 583 . 1 . 1 51 51 GLY CA C 13 44.486 0.000 . . . . . . . 51 G CA . 52147 1 584 . 1 . 1 51 51 GLY N N 15 111.086 0.010 . . . . . . . 51 G N . 52147 1 585 . 1 . 1 52 52 GLU H H 1 7.973 0.000 . . . . . . . 52 E H . 52147 1 586 . 1 . 1 52 52 GLU HA H 1 4.316 0.000 . . . . . . . 52 E HA . 52147 1 587 . 1 . 1 52 52 GLU HB2 H 1 1.909 0.000 . . . . . . . 52 E HB2 . 52147 1 588 . 1 . 1 52 52 GLU HB3 H 1 1.975 0.000 . . . . . . . 52 E HB3 . 52147 1 589 . 1 . 1 52 52 GLU HG2 H 1 2.680 0.010 . . . . . . . 52 E HG2 . 52147 1 590 . 1 . 1 52 52 GLU HG3 H 1 2.680 0.000 . . . . . . . 52 E HG3 . 52147 1 591 . 1 . 1 52 52 GLU C C 13 173.714 0.010 . . . . . . . 52 E C . 52147 1 592 . 1 . 1 52 52 GLU CA C 13 54.383 0.000 . . . . . . . 52 E CA . 52147 1 593 . 1 . 1 52 52 GLU CB C 13 30.235 0.000 . . . . . . . 52 E CB . 52147 1 594 . 1 . 1 52 52 GLU CG C 13 36.304 0.000 . . . . . . . 52 E CG . 52147 1 595 . 1 . 1 52 52 GLU N N 15 119.536 0.000 . . . . . . . 52 E N . 52147 1 596 . 1 . 1 53 53 GLU H H 1 8.580 0.000 . . . . . . . 53 E H . 52147 1 597 . 1 . 1 53 53 GLU CA C 13 50.646 0.010 . . . . . . . 53 E CA . 52147 1 598 . 1 . 1 53 53 GLU CB C 13 28.403 0.000 . . . . . . . 53 E CB . 52147 1 599 . 1 . 1 53 53 GLU N N 15 122.256 0.000 . . . . . . . 53 E N . 52147 1 600 . 1 . 1 54 54 PRO HA H 1 4.088 0.010 . . . . . . . 54 P HA . 52147 1 601 . 1 . 1 54 54 PRO HB2 H 1 1.600 0.010 . . . . . . . 54 P HB2 . 52147 1 602 . 1 . 1 54 54 PRO HB3 H 1 1.663 0.010 . . . . . . . 54 P HB3 . 52147 1 603 . 1 . 1 54 54 PRO HG2 H 1 1.246 0.010 . . . . . . . 54 P HG2 . 52147 1 604 . 1 . 1 54 54 PRO HG3 H 1 1.438 0.010 . . . . . . . 54 P HG3 . 52147 1 605 . 1 . 1 54 54 PRO HD2 H 1 2.813 0.010 . . . . . . . 54 P HD2 . 52147 1 606 . 1 . 1 54 54 PRO HD3 H 1 2.984 0.010 . . . . . . . 54 P HD3 . 52147 1 607 . 1 . 1 54 54 PRO C C 13 169.480 0.010 . . . . . . . 54 P C . 52147 1 608 . 1 . 1 54 54 PRO CA C 13 61.802 0.010 . . . . . . . 54 P CA . 52147 1 609 . 1 . 1 54 54 PRO CB C 13 31.306 0.010 . . . . . . . 54 P CB . 52147 1 610 . 1 . 1 54 54 PRO CG C 13 27.374 0.010 . . . . . . . 54 P CG . 52147 1 611 . 1 . 1 54 54 PRO CD C 13 50.183 0.010 . . . . . . . 54 P CD . 52147 1 612 . 1 . 1 55 55 VAL H H 1 7.960 0.010 . . . . . . . 55 V H . 52147 1 613 . 1 . 1 55 55 VAL HA H 1 4.210 0.010 . . . . . . . 55 V HA . 52147 1 614 . 1 . 1 55 55 VAL HB H 1 2.724 0.010 . . . . . . . 55 V HB . 52147 1 615 . 1 . 1 55 55 VAL HG11 H 1 0.489 0.000 . . . . . . . 55 V QG1 . 52147 1 616 . 1 . 1 55 55 VAL HG12 H 1 0.489 0.000 . . . . . . . 55 V QG1 . 52147 1 617 . 1 . 1 55 55 VAL HG13 H 1 0.489 0.000 . . . . . . . 55 V QG1 . 52147 1 618 . 1 . 1 55 55 VAL HG21 H 1 1.532 0.010 . . . . . . . 55 V QG2 . 52147 1 619 . 1 . 1 55 55 VAL HG22 H 1 1.532 0.010 . . . . . . . 55 V QG2 . 52147 1 620 . 1 . 1 55 55 VAL HG23 H 1 1.532 0.010 . . . . . . . 55 V QG2 . 52147 1 621 . 1 . 1 55 55 VAL C C 13 172.162 0.010 . . . . . . . 55 V C . 52147 1 622 . 1 . 1 55 55 VAL CA C 13 60.276 0.000 . . . . . . . 55 V CA . 52147 1 623 . 1 . 1 55 55 VAL CB C 13 34.764 0.010 . . . . . . . 55 V CB . 52147 1 624 . 1 . 1 55 55 VAL CG1 C 13 20.820 0.000 . . . . . . . 55 V CG1 . 52147 1 625 . 1 . 1 55 55 VAL CG2 C 13 27.656 0.010 . . . . . . . 55 V CG2 . 52147 1 626 . 1 . 1 55 55 VAL N N 15 125.109 0.010 . . . . . . . 55 V N . 52147 1 627 . 1 . 1 56 56 PHE H H 1 8.474 0.000 . . . . . . . 56 F H . 52147 1 628 . 1 . 1 56 56 PHE HA H 1 4.499 0.000 . . . . . . . 56 F HA . 52147 1 629 . 1 . 1 56 56 PHE HB2 H 1 2.420 0.000 . . . . . . . 56 F HB2 . 52147 1 630 . 1 . 1 56 56 PHE HB3 H 1 2.983 0.010 . . . . . . . 56 F HB3 . 52147 1 631 . 1 . 1 56 56 PHE C C 13 174.139 0.000 . . . . . . . 56 F C . 52147 1 632 . 1 . 1 56 56 PHE CA C 13 57.135 0.000 . . . . . . . 56 F CA . 52147 1 633 . 1 . 1 56 56 PHE CB C 13 40.460 0.000 . . . . . . . 56 F CB . 52147 1 634 . 1 . 1 56 56 PHE N N 15 124.313 0.000 . . . . . . . 56 F N . 52147 1 635 . 1 . 1 57 57 VAL H H 1 7.986 0.000 . . . . . . . 57 V H . 52147 1 636 . 1 . 1 57 57 VAL HA H 1 4.486 0.000 . . . . . . . 57 V HA . 52147 1 637 . 1 . 1 57 57 VAL HB H 1 1.800 0.000 . . . . . . . 57 V HB . 52147 1 638 . 1 . 1 57 57 VAL HG11 H 1 0.725 0.000 . . . . . . . 57 V QG1 . 52147 1 639 . 1 . 1 57 57 VAL HG12 H 1 0.725 0.000 . . . . . . . 57 V QG1 . 52147 1 640 . 1 . 1 57 57 VAL HG13 H 1 0.725 0.000 . . . . . . . 57 V QG1 . 52147 1 641 . 1 . 1 57 57 VAL HG21 H 1 0.725 0.010 . . . . . . . 57 V QG2 . 52147 1 642 . 1 . 1 57 57 VAL HG22 H 1 0.725 0.010 . . . . . . . 57 V QG2 . 52147 1 643 . 1 . 1 57 57 VAL HG23 H 1 0.725 0.010 . . . . . . . 57 V QG2 . 52147 1 644 . 1 . 1 57 57 VAL C C 13 172.402 0.000 . . . . . . . 57 V C . 52147 1 645 . 1 . 1 57 57 VAL CA C 13 62.228 0.000 . . . . . . . 57 V CA . 52147 1 646 . 1 . 1 57 57 VAL CB C 13 32.432 0.000 . . . . . . . 57 V CB . 52147 1 647 . 1 . 1 57 57 VAL CG1 C 13 20.518 0.000 . . . . . . . 57 V CG1 . 52147 1 648 . 1 . 1 57 57 VAL CG2 C 13 21.269 0.000 . . . . . . . 57 V CG2 . 52147 1 649 . 1 . 1 57 57 VAL N N 15 122.631 0.000 . . . . . . . 57 V N . 52147 1 650 . 1 . 1 58 58 VAL H H 1 9.198 0.000 . . . . . . . 58 V H . 52147 1 651 . 1 . 1 58 58 VAL HA H 1 4.780 0.000 . . . . . . . 58 V HA . 52147 1 652 . 1 . 1 58 58 VAL HB H 1 1.913 0.000 . . . . . . . 58 V HB . 52147 1 653 . 1 . 1 58 58 VAL HG11 H 1 0.790 0.000 . . . . . . . 58 V QG1 . 52147 1 654 . 1 . 1 58 58 VAL HG12 H 1 0.790 0.000 . . . . . . . 58 V QG1 . 52147 1 655 . 1 . 1 58 58 VAL HG13 H 1 0.790 0.000 . . . . . . . 58 V QG1 . 52147 1 656 . 1 . 1 58 58 VAL HG21 H 1 0.572 0.000 . . . . . . . 58 V QG2 . 52147 1 657 . 1 . 1 58 58 VAL HG22 H 1 0.572 0.000 . . . . . . . 58 V QG2 . 52147 1 658 . 1 . 1 58 58 VAL HG23 H 1 0.572 0.000 . . . . . . . 58 V QG2 . 52147 1 659 . 1 . 1 58 58 VAL C C 13 171.499 0.000 . . . . . . . 58 V C . 52147 1 660 . 1 . 1 58 58 VAL CA C 13 60.741 0.000 . . . . . . . 58 V CA . 52147 1 661 . 1 . 1 58 58 VAL CB C 13 32.980 0.000 . . . . . . . 58 V CB . 52147 1 662 . 1 . 1 58 58 VAL CG1 C 13 20.251 0.000 . . . . . . . 58 V CG1 . 52147 1 663 . 1 . 1 58 58 VAL CG2 C 13 22.281 0.000 . . . . . . . 58 V CG2 . 52147 1 664 . 1 . 1 58 58 VAL N N 15 130.394 0.000 . . . . . . . 58 V N . 52147 1 665 . 1 . 1 59 59 THR H H 1 9.316 0.000 . . . . . . . 59 T H . 52147 1 666 . 1 . 1 59 59 THR HA H 1 3.732 0.000 . . . . . . . 59 T HA . 52147 1 667 . 1 . 1 59 59 THR HB H 1 3.732 0.000 . . . . . . . 59 T HB . 52147 1 668 . 1 . 1 59 59 THR HG21 H 1 0.981 0.000 . . . . . . . 59 T QG2 . 52147 1 669 . 1 . 1 59 59 THR HG22 H 1 0.981 0.000 . . . . . . . 59 T QG2 . 52147 1 670 . 1 . 1 59 59 THR HG23 H 1 0.981 0.000 . . . . . . . 59 T QG2 . 52147 1 671 . 1 . 1 59 59 THR C C 13 171.185 0.000 . . . . . . . 59 T C . 52147 1 672 . 1 . 1 59 59 THR CA C 13 60.465 0.000 . . . . . . . 59 T CA . 52147 1 673 . 1 . 1 59 59 THR CB C 13 71.779 0.000 . . . . . . . 59 T CB . 52147 1 674 . 1 . 1 59 59 THR CG2 C 13 21.127 0.000 . . . . . . . 59 T CG2 . 52147 1 675 . 1 . 1 59 59 THR N N 15 122.228 0.000 . . . . . . . 59 T N . 52147 1 676 . 1 . 1 60 60 GLY H H 1 8.721 0.000 . . . . . . . 60 G H . 52147 1 677 . 1 . 1 60 60 GLY HA2 H 1 3.845 0.000 . . . . . . . 60 G HA2 . 52147 1 678 . 1 . 1 60 60 GLY HA3 H 1 3.994 0.000 . . . . . . . 60 G HA3 . 52147 1 679 . 1 . 1 60 60 GLY C C 13 168.656 0.000 . . . . . . . 60 G C . 52147 1 680 . 1 . 1 60 60 GLY CA C 13 44.298 0.000 . . . . . . . 60 G CA . 52147 1 681 . 1 . 1 60 60 GLY N N 15 113.290 0.000 . . . . . . . 60 G N . 52147 1 682 . 1 . 1 61 61 ARG H H 1 9.167 0.000 . . . . . . . 61 R H . 52147 1 683 . 1 . 1 61 61 ARG HA H 1 4.351 0.000 . . . . . . . 61 R HA . 52147 1 684 . 1 . 1 61 61 ARG HB2 H 1 1.724 0.000 . . . . . . . 61 R HB2 . 52147 1 685 . 1 . 1 61 61 ARG HB3 H 1 1.942 0.000 . . . . . . . 61 R HB3 . 52147 1 686 . 1 . 1 61 61 ARG HG2 H 1 1.644 0.000 . . . . . . . 61 R HG2 . 52147 1 687 . 1 . 1 61 61 ARG HG3 H 1 1.717 0.010 . . . . . . . 61 R HG3 . 52147 1 688 . 1 . 1 61 61 ARG HD2 H 1 3.126 0.000 . . . . . . . 61 R HD2 . 52147 1 689 . 1 . 1 61 61 ARG HD3 H 1 3.127 0.010 . . . . . . . 61 R HD3 . 52147 1 690 . 1 . 1 61 61 ARG C C 13 175.823 0.000 . . . . . . . 61 R C . 52147 1 691 . 1 . 1 61 61 ARG CA C 13 56.481 0.000 . . . . . . . 61 R CA . 52147 1 692 . 1 . 1 61 61 ARG CB C 13 30.089 0.000 . . . . . . . 61 R CB . 52147 1 693 . 1 . 1 61 61 ARG CG C 13 27.558 0.000 . . . . . . . 61 R CG . 52147 1 694 . 1 . 1 61 61 ARG CD C 13 42.899 0.000 . . . . . . . 61 R CD . 52147 1 695 . 1 . 1 61 61 ARG N N 15 122.256 0.000 . . . . . . . 61 R N . 52147 1 696 . 1 . 1 62 62 LYS H H 1 9.156 0.000 . . . . . . . 62 K H . 52147 1 697 . 1 . 1 62 62 LYS HA H 1 3.779 0.000 . . . . . . . 62 K HA . 52147 1 698 . 1 . 1 62 62 LYS HB2 H 1 1.642 0.010 . . . . . . . 62 K HB2 . 52147 1 699 . 1 . 1 62 62 LYS HB3 H 1 1.792 0.000 . . . . . . . 62 K HB3 . 52147 1 700 . 1 . 1 62 62 LYS HG2 H 1 1.161 0.000 . . . . . . . 62 K HG2 . 52147 1 701 . 1 . 1 62 62 LYS HG3 H 1 1.285 0.010 . . . . . . . 62 K HG3 . 52147 1 702 . 1 . 1 62 62 LYS HD2 H 1 1.520 0.010 . . . . . . . 62 K HD2 . 52147 1 703 . 1 . 1 62 62 LYS HD3 H 1 1.524 0.010 . . . . . . . 62 K HD3 . 52147 1 704 . 1 . 1 62 62 LYS HE2 H 1 2.802 0.000 . . . . . . . 62 K HE2 . 52147 1 705 . 1 . 1 62 62 LYS HE3 H 1 2.807 0.010 . . . . . . . 62 K HE3 . 52147 1 706 . 1 . 1 62 62 LYS C C 13 175.415 0.000 . . . . . . . 62 K C . 52147 1 707 . 1 . 1 62 62 LYS CA C 13 60.748 0.000 . . . . . . . 62 K CA . 52147 1 708 . 1 . 1 62 62 LYS CB C 13 32.591 0.000 . . . . . . . 62 K CB . 52147 1 709 . 1 . 1 62 62 LYS CG C 13 23.989 0.000 . . . . . . . 62 K CG . 52147 1 710 . 1 . 1 62 62 LYS CD C 13 29.183 0.000 . . . . . . . 62 K CD . 52147 1 711 . 1 . 1 62 62 LYS CE C 13 41.645 0.000 . . . . . . . 62 K CE . 52147 1 712 . 1 . 1 62 62 LYS N N 15 124.791 0.000 . . . . . . . 62 K N . 52147 1 713 . 1 . 1 63 63 GLU H H 1 9.952 0.000 . . . . . . . 63 E H . 52147 1 714 . 1 . 1 63 63 GLU HA H 1 3.921 0.000 . . . . . . . 63 E HA . 52147 1 715 . 1 . 1 63 63 GLU HB2 H 1 1.750 0.000 . . . . . . . 63 E HB2 . 52147 1 716 . 1 . 1 63 63 GLU HB3 H 1 1.831 0.000 . . . . . . . 63 E HB3 . 52147 1 717 . 1 . 1 63 63 GLU HG2 H 1 2.140 0.000 . . . . . . . 63 E HG2 . 52147 1 718 . 1 . 1 63 63 GLU HG3 H 1 2.244 0.000 . . . . . . . 63 E HG3 . 52147 1 719 . 1 . 1 63 63 GLU C C 13 175.649 0.000 . . . . . . . 63 E C . 52147 1 720 . 1 . 1 63 63 GLU CA C 13 59.182 0.000 . . . . . . . 63 E CA . 52147 1 721 . 1 . 1 63 63 GLU CB C 13 28.152 0.000 . . . . . . . 63 E CB . 52147 1 722 . 1 . 1 63 63 GLU CG C 13 35.960 0.000 . . . . . . . 63 E CG . 52147 1 723 . 1 . 1 63 63 GLU N N 15 117.715 0.000 . . . . . . . 63 E N . 52147 1 724 . 1 . 1 64 64 ASP H H 1 7.100 0.000 . . . . . . . 64 D H . 52147 1 725 . 1 . 1 64 64 ASP HA H 1 4.135 0.000 . . . . . . . 64 D HA . 52147 1 726 . 1 . 1 64 64 ASP HB2 H 1 2.555 0.000 . . . . . . . 64 D HB2 . 52147 1 727 . 1 . 1 64 64 ASP HB3 H 1 3.625 0.000 . . . . . . . 64 D HB3 . 52147 1 728 . 1 . 1 64 64 ASP C C 13 175.213 0.000 . . . . . . . 64 D C . 52147 1 729 . 1 . 1 64 64 ASP CA C 13 56.449 0.000 . . . . . . . 64 D CA . 52147 1 730 . 1 . 1 64 64 ASP CB C 13 39.980 0.000 . . . . . . . 64 D CB . 52147 1 731 . 1 . 1 64 64 ASP N N 15 122.827 0.000 . . . . . . . 64 D N . 52147 1 732 . 1 . 1 65 65 VAL H H 1 8.533 0.000 . . . . . . . 65 V H . 52147 1 733 . 1 . 1 65 65 VAL HA H 1 3.137 0.000 . . . . . . . 65 V HA . 52147 1 734 . 1 . 1 65 65 VAL HB H 1 1.801 0.000 . . . . . . . 65 V HB . 52147 1 735 . 1 . 1 65 65 VAL HG11 H 1 0.570 0.000 . . . . . . . 65 V QG1 . 52147 1 736 . 1 . 1 65 65 VAL HG12 H 1 0.570 0.000 . . . . . . . 65 V QG1 . 52147 1 737 . 1 . 1 65 65 VAL HG13 H 1 0.570 0.000 . . . . . . . 65 V QG1 . 52147 1 738 . 1 . 1 65 65 VAL HG21 H 1 0.570 0.010 . . . . . . . 65 V QG2 . 52147 1 739 . 1 . 1 65 65 VAL HG22 H 1 0.570 0.010 . . . . . . . 65 V QG2 . 52147 1 740 . 1 . 1 65 65 VAL HG23 H 1 0.570 0.010 . . . . . . . 65 V QG2 . 52147 1 741 . 1 . 1 65 65 VAL C C 13 175.531 0.010 . . . . . . . 65 V C . 52147 1 742 . 1 . 1 65 65 VAL CA C 13 65.622 0.000 . . . . . . . 65 V CA . 52147 1 743 . 1 . 1 65 65 VAL CB C 13 30.592 0.000 . . . . . . . 65 V CB . 52147 1 744 . 1 . 1 65 65 VAL CG1 C 13 20.736 0.000 . . . . . . . 65 V CG1 . 52147 1 745 . 1 . 1 65 65 VAL CG2 C 13 23.221 0.000 . . . . . . . 65 V CG2 . 52147 1 746 . 1 . 1 65 65 VAL N N 15 121.432 0.000 . . . . . . . 65 V N . 52147 1 747 . 1 . 1 66 66 ALA H H 1 7.774 0.000 . . . . . . . 66 A H . 52147 1 748 . 1 . 1 66 66 ALA HA H 1 3.822 0.000 . . . . . . . 66 A HA . 52147 1 749 . 1 . 1 66 66 ALA HB1 H 1 1.276 0.000 . . . . . . . 66 A HB# . 52147 1 750 . 1 . 1 66 66 ALA HB2 H 1 1.276 0.000 . . . . . . . 66 A HB# . 52147 1 751 . 1 . 1 66 66 ALA HB3 H 1 1.276 0.000 . . . . . . . 66 A HB# . 52147 1 752 . 1 . 1 66 66 ALA C C 13 177.270 0.000 . . . . . . . 66 A C . 52147 1 753 . 1 . 1 66 66 ALA CA C 13 54.616 0.000 . . . . . . . 66 A CA . 52147 1 754 . 1 . 1 66 66 ALA CB C 13 17.388 0.000 . . . . . . . 66 A CB . 52147 1 755 . 1 . 1 66 66 ALA N N 15 119.671 0.000 . . . . . . . 66 A N . 52147 1 756 . 1 . 1 67 67 MET H H 1 7.341 0.000 . . . . . . . 67 M H . 52147 1 757 . 1 . 1 67 67 MET HA H 1 3.924 0.010 . . . . . . . 67 M HA . 52147 1 758 . 1 . 1 67 67 MET HB2 H 1 1.978 0.010 . . . . . . . 67 M HB2 . 52147 1 759 . 1 . 1 67 67 MET HB3 H 1 2.908 0.010 . . . . . . . 67 M HB3 . 52147 1 760 . 1 . 1 67 67 MET HG2 H 1 2.300 0.010 . . . . . . . 67 M HG2 . 52147 1 761 . 1 . 1 67 67 MET HG3 H 1 2.534 0.010 . . . . . . . 67 M HG3 . 52147 1 762 . 1 . 1 67 67 MET C C 13 175.328 0.000 . . . . . . . 67 M C . 52147 1 763 . 1 . 1 67 67 MET CA C 13 58.177 0.000 . . . . . . . 67 M CA . 52147 1 764 . 1 . 1 67 67 MET CB C 13 31.971 0.000 . . . . . . . 67 M CB . 52147 1 765 . 1 . 1 67 67 MET CG C 13 31.654 0.000 . . . . . . . 67 M CG . 52147 1 766 . 1 . 1 67 67 MET N N 15 117.467 0.000 . . . . . . . 67 M N . 52147 1 767 . 1 . 1 68 68 ALA H H 1 8.337 0.000 . . . . . . . 68 A H . 52147 1 768 . 1 . 1 68 68 ALA HA H 1 3.708 0.000 . . . . . . . 68 A HA . 52147 1 769 . 1 . 1 68 68 ALA HB1 H 1 1.191 0.000 . . . . . . . 68 A HB# . 52147 1 770 . 1 . 1 68 68 ALA HB2 H 1 1.191 0.000 . . . . . . . 68 A HB# . 52147 1 771 . 1 . 1 68 68 ALA HB3 H 1 1.191 0.000 . . . . . . . 68 A HB# . 52147 1 772 . 1 . 1 68 68 ALA C C 13 175.893 0.000 . . . . . . . 68 A C . 52147 1 773 . 1 . 1 68 68 ALA CA C 13 55.154 0.000 . . . . . . . 68 A CA . 52147 1 774 . 1 . 1 68 68 ALA CB C 13 17.635 0.000 . . . . . . . 68 A CB . 52147 1 775 . 1 . 1 68 68 ALA N N 15 121.955 0.000 . . . . . . . 68 A N . 52147 1 776 . 1 . 1 69 69 ARG H H 1 8.984 0.000 . . . . . . . 69 R H . 52147 1 777 . 1 . 1 69 69 ARG HA H 1 3.529 0.000 . . . . . . . 69 R HA . 52147 1 778 . 1 . 1 69 69 ARG HB2 H 1 1.460 0.000 . . . . . . . 69 R HB2 . 52147 1 779 . 1 . 1 69 69 ARG HB3 H 1 1.802 0.000 . . . . . . . 69 R HB3 . 52147 1 780 . 1 . 1 69 69 ARG HG2 H 1 1.343 0.000 . . . . . . . 69 R HG2 . 52147 1 781 . 1 . 1 69 69 ARG HG3 H 1 1.458 0.010 . . . . . . . 69 R HG3 . 52147 1 782 . 1 . 1 69 69 ARG HD2 H 1 2.869 0.000 . . . . . . . 69 R HD2 . 52147 1 783 . 1 . 1 69 69 ARG HD3 H 1 3.016 0.000 . . . . . . . 69 R HD3 . 52147 1 784 . 1 . 1 69 69 ARG C C 13 174.219 0.000 . . . . . . . 69 R C . 52147 1 785 . 1 . 1 69 69 ARG CA C 13 59.509 0.000 . . . . . . . 69 R CA . 52147 1 786 . 1 . 1 69 69 ARG CB C 13 28.777 0.000 . . . . . . . 69 R CB . 52147 1 787 . 1 . 1 69 69 ARG CG C 13 26.038 0.010 . . . . . . . 69 R CG . 52147 1 788 . 1 . 1 69 69 ARG CD C 13 43.313 0.000 . . . . . . . 69 R CD . 52147 1 789 . 1 . 1 69 69 ARG N N 15 117.418 0.000 . . . . . . . 69 R N . 52147 1 790 . 1 . 1 70 70 ARG H H 1 7.960 0.000 . . . . . . . 70 R H . 52147 1 791 . 1 . 1 70 70 ARG HA H 1 4.127 0.010 . . . . . . . 70 R HA . 52147 1 792 . 1 . 1 70 70 ARG HB2 H 1 1.582 0.010 . . . . . . . 70 R HB2 . 52147 1 793 . 1 . 1 70 70 ARG HB3 H 1 1.670 0.010 . . . . . . . 70 R HB3 . 52147 1 794 . 1 . 1 70 70 ARG HG2 H 1 1.441 0.010 . . . . . . . 70 R HG2 . 52147 1 795 . 1 . 1 70 70 ARG HG3 H 1 1.451 0.010 . . . . . . . 70 R HG3 . 52147 1 796 . 1 . 1 70 70 ARG HD2 H 1 2.994 0.010 . . . . . . . 70 R HD2 . 52147 1 797 . 1 . 1 70 70 ARG HD3 H 1 4.383 0.010 . . . . . . . 70 R HD3 . 52147 1 798 . 1 . 1 70 70 ARG C C 13 173.996 0.010 . . . . . . . 70 R C . 52147 1 799 . 1 . 1 70 70 ARG CA C 13 55.448 0.010 . . . . . . . 70 R CA . 52147 1 800 . 1 . 1 70 70 ARG CB C 13 29.470 0.010 . . . . . . . 70 R CB . 52147 1 801 . 1 . 1 70 70 ARG CG C 13 29.577 0.010 . . . . . . . 70 R CG . 52147 1 802 . 1 . 1 70 70 ARG CD C 13 42.821 0.000 . . . . . . . 70 R CD . 52147 1 803 . 1 . 1 70 70 ARG N N 15 117.138 0.010 . . . . . . . 70 R N . 52147 1 804 . 1 . 1 71 71 GLU H H 1 8.528 0.010 . . . . . . . 71 E H . 52147 1 805 . 1 . 1 71 71 GLU HA H 1 3.873 0.010 . . . . . . . 71 E HA . 52147 1 806 . 1 . 1 71 71 GLU HB2 H 1 1.607 0.010 . . . . . . . 71 E HB2 . 52147 1 807 . 1 . 1 71 71 GLU HB3 H 1 1.859 0.010 . . . . . . . 71 E HB3 . 52147 1 808 . 1 . 1 71 71 GLU HG2 H 1 2.097 0.010 . . . . . . . 71 E HG2 . 52147 1 809 . 1 . 1 71 71 GLU HG3 H 1 2.993 0.010 . . . . . . . 71 E HG3 . 52147 1 810 . 1 . 1 71 71 GLU C C 13 173.759 0.010 . . . . . . . 71 E C . 52147 1 811 . 1 . 1 71 71 GLU CA C 13 55.582 0.010 . . . . . . . 71 E CA . 52147 1 812 . 1 . 1 71 71 GLU CB C 13 29.860 0.010 . . . . . . . 71 E CB . 52147 1 813 . 1 . 1 71 71 GLU CG C 13 35.402 0.010 . . . . . . . 71 E CG . 52147 1 814 . 1 . 1 71 71 GLU N N 15 121.062 0.010 . . . . . . . 71 E N . 52147 1 815 . 1 . 1 72 72 ILE H H 1 8.320 0.010 . . . . . . . 72 I H . 52147 1 816 . 1 . 1 72 72 ILE HA H 1 3.117 0.010 . . . . . . . 72 I HA . 52147 1 817 . 1 . 1 72 72 ILE HB H 1 1.500 0.010 . . . . . . . 72 I HB . 52147 1 818 . 1 . 1 72 72 ILE HG12 H 1 1.498 0.010 . . . . . . . 72 I HG12 . 52147 1 819 . 1 . 1 72 72 ILE HG13 H 1 1.499 0.010 . . . . . . . 72 I HG13 . 52147 1 820 . 1 . 1 72 72 ILE HG21 H 1 0.250 0.010 . . . . . . . 72 I QG2 . 52147 1 821 . 1 . 1 72 72 ILE HG22 H 1 0.250 0.010 . . . . . . . 72 I QG2 . 52147 1 822 . 1 . 1 72 72 ILE HG23 H 1 0.250 0.010 . . . . . . . 72 I QG2 . 52147 1 823 . 1 . 1 72 72 ILE HD11 H 1 0.250 0.010 . . . . . . . 72 I QD1 . 52147 1 824 . 1 . 1 72 72 ILE HD12 H 1 0.250 0.010 . . . . . . . 72 I QD1 . 52147 1 825 . 1 . 1 72 72 ILE HD13 H 1 0.250 0.010 . . . . . . . 72 I QD1 . 52147 1 826 . 1 . 1 72 72 ILE C C 13 174.215 0.000 . . . . . . . 72 I C . 52147 1 827 . 1 . 1 72 72 ILE CA C 13 65.721 0.010 . . . . . . . 72 I CA . 52147 1 828 . 1 . 1 72 72 ILE CB C 13 37.633 0.010 . . . . . . . 72 I CB . 52147 1 829 . 1 . 1 72 72 ILE CG1 C 13 29.045 0.010 . . . . . . . 72 I CG1 . 52147 1 830 . 1 . 1 72 72 ILE CG2 C 13 17.298 0.010 . . . . . . . 72 I CG2 . 52147 1 831 . 1 . 1 72 72 ILE CD1 C 13 11.665 0.000 . . . . . . . 72 I CD1 . 52147 1 832 . 1 . 1 72 72 ILE N N 15 122.532 0.010 . . . . . . . 72 I N . 52147 1 833 . 1 . 1 73 73 ILE H H 1 8.446 0.010 . . . . . . . 73 I H . 52147 1 834 . 1 . 1 73 73 ILE HA H 1 3.492 0.000 . . . . . . . 73 I HA . 52147 1 835 . 1 . 1 73 73 ILE HB H 1 1.722 0.000 . . . . . . . 73 I HB . 52147 1 836 . 1 . 1 73 73 ILE HG12 H 1 0.717 0.010 . . . . . . . 73 I HG12 . 52147 1 837 . 1 . 1 73 73 ILE HG13 H 1 1.733 0.010 . . . . . . . 73 I HG13 . 52147 1 838 . 1 . 1 73 73 ILE HG21 H 1 0.620 0.010 . . . . . . . 73 I QG2 . 52147 1 839 . 1 . 1 73 73 ILE HG22 H 1 0.620 0.010 . . . . . . . 73 I QG2 . 52147 1 840 . 1 . 1 73 73 ILE HG23 H 1 0.620 0.010 . . . . . . . 73 I QG2 . 52147 1 841 . 1 . 1 73 73 ILE HD11 H 1 0.620 0.010 . . . . . . . 73 I QD1 . 52147 1 842 . 1 . 1 73 73 ILE HD12 H 1 0.620 0.010 . . . . . . . 73 I QD1 . 52147 1 843 . 1 . 1 73 73 ILE HD13 H 1 0.620 0.010 . . . . . . . 73 I QD1 . 52147 1 844 . 1 . 1 73 73 ILE C C 13 176.073 0.000 . . . . . . . 73 I C . 52147 1 845 . 1 . 1 73 73 ILE CA C 13 64.157 0.000 . . . . . . . 73 I CA . 52147 1 846 . 1 . 1 73 73 ILE CB C 13 36.429 0.000 . . . . . . . 73 I CB . 52147 1 847 . 1 . 1 73 73 ILE CG1 C 13 36.572 0.000 . . . . . . . 73 I CG1 . 52147 1 848 . 1 . 1 73 73 ILE CG2 C 13 16.694 0.000 . . . . . . . 73 I CG2 . 52147 1 849 . 1 . 1 73 73 ILE CD1 C 13 12.030 0.000 . . . . . . . 73 I CD1 . 52147 1 850 . 1 . 1 73 73 ILE N N 15 119.012 0.010 . . . . . . . 73 I N . 52147 1 851 . 1 . 1 74 74 SER H H 1 8.399 0.000 . . . . . . . 74 S H . 52147 1 852 . 1 . 1 74 74 SER HA H 1 4.477 0.010 . . . . . . . 74 S HA . 52147 1 853 . 1 . 1 74 74 SER HB2 H 1 4.051 0.010 . . . . . . . 74 S HB2 . 52147 1 854 . 1 . 1 74 74 SER HB3 H 1 4.226 0.010 . . . . . . . 74 S HB3 . 52147 1 855 . 1 . 1 74 74 SER C C 13 173.626 0.010 . . . . . . . 74 S C . 52147 1 856 . 1 . 1 74 74 SER CA C 13 62.336 0.000 . . . . . . . 74 S CA . 52147 1 857 . 1 . 1 74 74 SER CB C 13 62.678 0.010 . . . . . . . 74 S CB . 52147 1 858 . 1 . 1 74 74 SER N N 15 115.028 0.000 . . . . . . . 74 S N . 52147 1 859 . 1 . 1 75 75 ALA H H 1 8.238 0.000 . . . . . . . 75 A H . 52147 1 860 . 1 . 1 75 75 ALA HA H 1 4.134 0.000 . . . . . . . 75 A HA . 52147 1 861 . 1 . 1 75 75 ALA HB1 H 1 1.379 0.000 . . . . . . . 75 A HB# . 52147 1 862 . 1 . 1 75 75 ALA HB2 H 1 1.379 0.000 . . . . . . . 75 A HB# . 52147 1 863 . 1 . 1 75 75 ALA HB3 H 1 1.379 0.000 . . . . . . . 75 A HB# . 52147 1 864 . 1 . 1 75 75 ALA C C 13 178.372 0.000 . . . . . . . 75 A C . 52147 1 865 . 1 . 1 75 75 ALA CA C 13 54.741 0.000 . . . . . . . 75 A CA . 52147 1 866 . 1 . 1 75 75 ALA CB C 13 18.328 0.000 . . . . . . . 75 A CB . 52147 1 867 . 1 . 1 75 75 ALA N N 15 121.811 0.000 . . . . . . . 75 A N . 52147 1 868 . 1 . 1 76 76 ALA H H 1 8.813 0.000 . . . . . . . 76 A H . 52147 1 869 . 1 . 1 76 76 ALA HA H 1 4.177 0.000 . . . . . . . 76 A HA . 52147 1 870 . 1 . 1 76 76 ALA HB1 H 1 1.558 0.000 . . . . . . . 76 A HB# . 52147 1 871 . 1 . 1 76 76 ALA HB2 H 1 1.558 0.000 . . . . . . . 76 A HB# . 52147 1 872 . 1 . 1 76 76 ALA HB3 H 1 1.558 0.000 . . . . . . . 76 A HB# . 52147 1 873 . 1 . 1 76 76 ALA C C 13 176.791 0.000 . . . . . . . 76 A C . 52147 1 874 . 1 . 1 76 76 ALA CA C 13 55.119 0.000 . . . . . . . 76 A CA . 52147 1 875 . 1 . 1 76 76 ALA CB C 13 17.463 0.000 . . . . . . . 76 A CB . 52147 1 876 . 1 . 1 76 76 ALA N N 15 122.987 0.000 . . . . . . . 76 A N . 52147 1 877 . 1 . 1 77 77 GLU H H 1 8.869 0.000 . . . . . . . 77 E H . 52147 1 878 . 1 . 1 77 77 GLU HA H 1 3.984 0.000 . . . . . . . 77 E HA . 52147 1 879 . 1 . 1 77 77 GLU HB2 H 1 1.901 0.000 . . . . . . . 77 E HB2 . 52147 1 880 . 1 . 1 77 77 GLU HB3 H 1 2.104 0.000 . . . . . . . 77 E HB3 . 52147 1 881 . 1 . 1 77 77 GLU HG2 H 1 2.398 0.010 . . . . . . . 77 E HG2 . 52147 1 882 . 1 . 1 77 77 GLU HG3 H 1 2.398 0.000 . . . . . . . 77 E HG3 . 52147 1 883 . 1 . 1 77 77 GLU C C 13 176.811 0.010 . . . . . . . 77 E C . 52147 1 884 . 1 . 1 77 77 GLU CA C 13 58.896 0.000 . . . . . . . 77 E CA . 52147 1 885 . 1 . 1 77 77 GLU CB C 13 28.732 0.000 . . . . . . . 77 E CB . 52147 1 886 . 1 . 1 77 77 GLU CG C 13 36.126 0.000 . . . . . . . 77 E CG . 52147 1 887 . 1 . 1 77 77 GLU N N 15 119.214 0.000 . . . . . . . 77 E N . 52147 1 888 . 1 . 1 78 78 HIS H H 1 8.400 0.000 . . . . . . . 78 H H . 52147 1 889 . 1 . 1 78 78 HIS HA H 1 4.226 0.010 . . . . . . . 78 H HA . 52147 1 890 . 1 . 1 78 78 HIS HB2 H 1 2.272 0.010 . . . . . . . 78 H HB2 . 52147 1 891 . 1 . 1 78 78 HIS HB3 H 1 2.920 0.010 . . . . . . . 78 H HB3 . 52147 1 892 . 1 . 1 78 78 HIS C C 13 174.191 0.010 . . . . . . . 78 H C . 52147 1 893 . 1 . 1 78 78 HIS CA C 13 59.142 0.010 . . . . . . . 78 H CA . 52147 1 894 . 1 . 1 78 78 HIS CB C 13 28.578 0.010 . . . . . . . 78 H CB . 52147 1 895 . 1 . 1 78 78 HIS N N 15 119.075 0.000 . . . . . . . 78 H N . 52147 1 896 . 1 . 1 79 79 PHE H H 1 8.449 0.010 . . . . . . . 79 F H . 52147 1 897 . 1 . 1 79 79 PHE HA H 1 4.155 0.010 . . . . . . . 79 F HA . 52147 1 898 . 1 . 1 79 79 PHE HB2 H 1 2.818 0.010 . . . . . . . 79 F HB2 . 52147 1 899 . 1 . 1 79 79 PHE HB3 H 1 3.067 0.010 . . . . . . . 79 F HB3 . 52147 1 900 . 1 . 1 79 79 PHE C C 13 174.387 0.010 . . . . . . . 79 F C . 52147 1 901 . 1 . 1 79 79 PHE CA C 13 60.259 0.010 . . . . . . . 79 F CA . 52147 1 902 . 1 . 1 79 79 PHE CB C 13 37.896 0.010 . . . . . . . 79 F CB . 52147 1 903 . 1 . 1 79 79 PHE N N 15 119.000 0.010 . . . . . . . 79 F N . 52147 1 904 . 1 . 1 80 80 SER H H 1 8.676 0.010 . . . . . . . 80 S H . 52147 1 905 . 1 . 1 80 80 SER HA H 1 4.221 0.010 . . . . . . . 80 S HA . 52147 1 906 . 1 . 1 80 80 SER HB2 H 1 3.659 0.010 . . . . . . . 80 S HB2 . 52147 1 907 . 1 . 1 80 80 SER HB3 H 1 4.239 0.010 . . . . . . . 80 S HB3 . 52147 1 908 . 1 . 1 80 80 SER C C 13 172.964 0.010 . . . . . . . 80 S C . 52147 1 909 . 1 . 1 80 80 SER CA C 13 61.752 0.010 . . . . . . . 80 S CA . 52147 1 910 . 1 . 1 80 80 SER CB C 13 62.068 0.010 . . . . . . . 80 S CB . 52147 1 911 . 1 . 1 80 80 SER N N 15 115.420 0.000 . . . . . . . 80 S N . 52147 1 912 . 1 . 1 81 81 MET H H 1 7.867 0.010 . . . . . . . 81 M H . 52147 1 913 . 1 . 1 81 81 MET HA H 1 3.965 0.000 . . . . . . . 81 M HA . 52147 1 914 . 1 . 1 81 81 MET HB2 H 1 2.310 0.000 . . . . . . . 81 M HB2 . 52147 1 915 . 1 . 1 81 81 MET HB3 H 1 2.496 0.000 . . . . . . . 81 M HB3 . 52147 1 916 . 1 . 1 81 81 MET HG2 H 1 1.987 0.010 . . . . . . . 81 M HG2 . 52147 1 917 . 1 . 1 81 81 MET HG3 H 1 2.632 0.000 . . . . . . . 81 M HG3 . 52147 1 918 . 1 . 1 81 81 MET C C 13 174.799 0.010 . . . . . . . 81 M C . 52147 1 919 . 1 . 1 81 81 MET CA C 13 57.849 0.000 . . . . . . . 81 M CA . 52147 1 920 . 1 . 1 81 81 MET CB C 13 31.091 0.010 . . . . . . . 81 M CB . 52147 1 921 . 1 . 1 81 81 MET CG C 13 31.305 0.000 . . . . . . . 81 M CG . 52147 1 922 . 1 . 1 81 81 MET N N 15 121.205 0.010 . . . . . . . 81 M N . 52147 1 923 . 1 . 1 82 82 ILE H H 1 7.797 0.000 . . . . . . . 82 I H . 52147 1 924 . 1 . 1 82 82 ILE HA H 1 3.638 0.000 . . . . . . . 82 I HA . 52147 1 925 . 1 . 1 82 82 ILE HB H 1 1.661 0.000 . . . . . . . 82 I HB . 52147 1 926 . 1 . 1 82 82 ILE HG12 H 1 0.954 0.010 . . . . . . . 82 I HG12 . 52147 1 927 . 1 . 1 82 82 ILE HG13 H 1 1.663 0.010 . . . . . . . 82 I HG13 . 52147 1 928 . 1 . 1 82 82 ILE HG21 H 1 0.954 0.010 . . . . . . . 82 I QG2 . 52147 1 929 . 1 . 1 82 82 ILE HG22 H 1 0.954 0.010 . . . . . . . 82 I QG2 . 52147 1 930 . 1 . 1 82 82 ILE HG23 H 1 0.954 0.010 . . . . . . . 82 I QG2 . 52147 1 931 . 1 . 1 82 82 ILE HD11 H 1 0.569 0.000 . . . . . . . 82 I QD1 . 52147 1 932 . 1 . 1 82 82 ILE HD12 H 1 0.569 0.000 . . . . . . . 82 I QD1 . 52147 1 933 . 1 . 1 82 82 ILE HD13 H 1 0.569 0.000 . . . . . . . 82 I QD1 . 52147 1 934 . 1 . 1 82 82 ILE C C 13 175.938 0.000 . . . . . . . 82 I C . 52147 1 935 . 1 . 1 82 82 ILE CA C 13 62.514 0.000 . . . . . . . 82 I CA . 52147 1 936 . 1 . 1 82 82 ILE CB C 13 36.796 0.000 . . . . . . . 82 I CB . 52147 1 937 . 1 . 1 82 82 ILE CG1 C 13 26.933 0.000 . . . . . . . 82 I CG1 . 52147 1 938 . 1 . 1 82 82 ILE CG2 C 13 16.838 0.000 . . . . . . . 82 I CG2 . 52147 1 939 . 1 . 1 82 82 ILE CD1 C 13 12.051 0.000 . . . . . . . 82 I CD1 . 52147 1 940 . 1 . 1 82 82 ILE N N 15 119.877 0.000 . . . . . . . 82 I N . 52147 1 941 . 1 . 1 83 83 ARG H H 1 8.018 0.000 . . . . . . . 83 R H . 52147 1 942 . 1 . 1 83 83 ARG HA H 1 3.575 0.000 . . . . . . . 83 R HA . 52147 1 943 . 1 . 1 83 83 ARG HB2 H 1 1.123 0.000 . . . . . . . 83 R HB2 . 52147 1 944 . 1 . 1 83 83 ARG HB3 H 1 1.268 0.000 . . . . . . . 83 R HB3 . 52147 1 945 . 1 . 1 83 83 ARG HG2 H 1 1.010 0.000 . . . . . . . 83 R HG2 . 52147 1 946 . 1 . 1 83 83 ARG HG3 H 1 1.268 0.010 . . . . . . . 83 R HG3 . 52147 1 947 . 1 . 1 83 83 ARG HD2 H 1 2.516 0.000 . . . . . . . 83 R HD2 . 52147 1 948 . 1 . 1 83 83 ARG HD3 H 1 2.614 0.000 . . . . . . . 83 R HD3 . 52147 1 949 . 1 . 1 83 83 ARG C C 13 174.770 0.000 . . . . . . . 83 R C . 52147 1 950 . 1 . 1 83 83 ARG CA C 13 57.517 0.000 . . . . . . . 83 R CA . 52147 1 951 . 1 . 1 83 83 ARG CB C 13 29.044 0.000 . . . . . . . 83 R CB . 52147 1 952 . 1 . 1 83 83 ARG CG C 13 26.190 0.000 . . . . . . . 83 R CG . 52147 1 953 . 1 . 1 83 83 ARG CD C 13 42.709 0.000 . . . . . . . 83 R CD . 52147 1 954 . 1 . 1 83 83 ARG N N 15 121.071 0.000 . . . . . . . 83 R N . 52147 1 955 . 1 . 1 84 84 ALA H H 1 7.715 0.000 . . . . . . . 84 A H . 52147 1 956 . 1 . 1 84 84 ALA HA H 1 4.024 0.000 . . . . . . . 84 A HA . 52147 1 957 . 1 . 1 84 84 ALA HB1 H 1 1.244 0.000 . . . . . . . 84 A HB# . 52147 1 958 . 1 . 1 84 84 ALA HB2 H 1 1.244 0.000 . . . . . . . 84 A HB# . 52147 1 959 . 1 . 1 84 84 ALA HB3 H 1 1.244 0.000 . . . . . . . 84 A HB# . 52147 1 960 . 1 . 1 84 84 ALA C C 13 175.868 0.000 . . . . . . . 84 A C . 52147 1 961 . 1 . 1 84 84 ALA CA C 13 53.031 0.000 . . . . . . . 84 A CA . 52147 1 962 . 1 . 1 84 84 ALA CB C 13 17.999 0.000 . . . . . . . 84 A CB . 52147 1 963 . 1 . 1 84 84 ALA N N 15 121.199 0.000 . . . . . . . 84 A N . 52147 1 964 . 1 . 1 85 85 SER H H 1 7.799 0.000 . . . . . . . 85 S H . 52147 1 965 . 1 . 1 85 85 SER HA H 1 4.171 0.010 . . . . . . . 85 S HA . 52147 1 966 . 1 . 1 85 85 SER HB2 H 1 3.738 0.000 . . . . . . . 85 S HB2 . 52147 1 967 . 1 . 1 85 85 SER HB3 H 1 4.171 0.000 . . . . . . . 85 S HB3 . 52147 1 968 . 1 . 1 85 85 SER C C 13 177.115 0.000 . . . . . . . 85 S C . 52147 1 969 . 1 . 1 85 85 SER CA C 13 58.730 0.000 . . . . . . . 85 S CA . 52147 1 970 . 1 . 1 85 85 SER CB C 13 63.081 0.000 . . . . . . . 85 S CB . 52147 1 971 . 1 . 1 85 85 SER N N 15 113.182 0.000 . . . . . . . 85 S N . 52147 1 972 . 1 . 1 86 86 ARG H H 1 7.803 0.000 . . . . . . . 86 R H . 52147 1 973 . 1 . 1 86 86 ARG HA H 1 4.102 0.000 . . . . . . . 86 R HA . 52147 1 974 . 1 . 1 86 86 ARG HB2 H 1 1.589 0.000 . . . . . . . 86 R HB2 . 52147 1 975 . 1 . 1 86 86 ARG HB3 H 1 1.693 0.000 . . . . . . . 86 R HB3 . 52147 1 976 . 1 . 1 86 86 ARG HG2 H 1 1.488 0.000 . . . . . . . 86 R HG2 . 52147 1 977 . 1 . 1 86 86 ARG HG3 H 1 1.692 0.010 . . . . . . . 86 R HG3 . 52147 1 978 . 1 . 1 86 86 ARG HD2 H 1 2.788 0.000 . . . . . . . 86 R HD2 . 52147 1 979 . 1 . 1 86 86 ARG HD3 H 1 2.949 0.000 . . . . . . . 86 R HD3 . 52147 1 980 . 1 . 1 86 86 ARG C C 13 173.120 0.000 . . . . . . . 86 R C . 52147 1 981 . 1 . 1 86 86 ARG CA C 13 55.987 0.000 . . . . . . . 86 R CA . 52147 1 982 . 1 . 1 86 86 ARG CB C 13 29.962 0.000 . . . . . . . 86 R CB . 52147 1 983 . 1 . 1 86 86 ARG CG C 13 25.688 0.000 . . . . . . . 86 R CG . 52147 1 984 . 1 . 1 86 86 ARG CD C 13 43.023 0.000 . . . . . . . 86 R CD . 52147 1 985 . 1 . 1 86 86 ARG N N 15 121.448 0.000 . . . . . . . 86 R N . 52147 1 986 . 1 . 1 87 87 ASN H H 1 8.173 0.000 . . . . . . . 87 N H . 52147 1 987 . 1 . 1 87 87 ASN HA H 1 4.486 0.000 . . . . . . . 87 N HA . 52147 1 988 . 1 . 1 87 87 ASN HB2 H 1 2.545 0.000 . . . . . . . 87 N HB2 . 52147 1 989 . 1 . 1 87 87 ASN HB3 H 1 2.660 0.000 . . . . . . . 87 N HB3 . 52147 1 990 . 1 . 1 87 87 ASN HD21 H 1 6.903 0.000 . . . . . . . 87 N HD21 . 52147 1 991 . 1 . 1 87 87 ASN HD22 H 1 7.591 0.000 . . . . . . . 87 N HD22 . 52147 1 992 . 1 . 1 87 87 ASN C C 13 174.772 0.010 . . . . . . . 87 N C . 52147 1 993 . 1 . 1 87 87 ASN CA C 13 52.810 0.000 . . . . . . . 87 N CA . 52147 1 994 . 1 . 1 87 87 ASN CB C 13 38.221 0.000 . . . . . . . 87 N CB . 52147 1 995 . 1 . 1 87 87 ASN N N 15 118.747 0.000 . . . . . . . 87 N N . 52147 1 996 . 1 . 1 87 87 ASN ND2 N 15 112.378 0.000 . . . . . . . 87 N ND2 . 52147 1 997 . 1 . 1 88 88 LYS H H 1 8.138 0.000 . . . . . . . 88 K H . 52147 1 998 . 1 . 1 88 88 LYS HA H 1 4.132 0.000 . . . . . . . 88 K HA . 52147 1 999 . 1 . 1 88 88 LYS HB2 H 1 1.237 0.010 . . . . . . . 88 K HB2 . 52147 1 1000 . 1 . 1 88 88 LYS HB3 H 1 1.681 0.000 . . . . . . . 88 K HB3 . 52147 1 1001 . 1 . 1 88 88 LYS HG2 H 1 1.232 0.010 . . . . . . . 88 K HG2 . 52147 1 1002 . 1 . 1 88 88 LYS HG3 H 1 1.484 0.010 . . . . . . . 88 K HG3 . 52147 1 1003 . 1 . 1 88 88 LYS HD2 H 1 1.230 0.010 . . . . . . . 88 K HD2 . 52147 1 1004 . 1 . 1 88 88 LYS HD3 H 1 1.482 0.010 . . . . . . . 88 K HD3 . 52147 1 1005 . 1 . 1 88 88 LYS HE2 H 1 2.804 0.000 . . . . . . . 88 K HE2 . 52147 1 1006 . 1 . 1 88 88 LYS HE3 H 1 2.889 0.000 . . . . . . . 88 K HE3 . 52147 1 1007 . 1 . 1 88 88 LYS C C 13 174.789 0.010 . . . . . . . 88 K C . 52147 1 1008 . 1 . 1 88 88 LYS CA C 13 55.700 0.000 . . . . . . . 88 K CA . 52147 1 1009 . 1 . 1 88 88 LYS CB C 13 32.377 0.000 . . . . . . . 88 K CB . 52147 1 1010 . 1 . 1 88 88 LYS CG C 13 23.951 0.000 . . . . . . . 88 K CG . 52147 1 1011 . 1 . 1 88 88 LYS CD C 13 28.253 0.000 . . . . . . . 88 K CD . 52147 1 1012 . 1 . 1 88 88 LYS CE C 13 41.605 0.000 . . . . . . . 88 K CE . 52147 1 1013 . 1 . 1 88 88 LYS N N 15 121.537 0.000 . . . . . . . 88 K N . 52147 1 1014 . 1 . 1 89 89 ASN H H 1 8.045 0.000 . . . . . . . 89 N H . 52147 1 1015 . 1 . 1 89 89 ASN HA H 1 4.267 0.010 . . . . . . . 89 N HA . 52147 1 1016 . 1 . 1 89 89 ASN HB2 H 1 2.458 0.010 . . . . . . . 89 N HB2 . 52147 1 1017 . 1 . 1 89 89 ASN HB3 H 1 2.567 0.010 . . . . . . . 89 N HB3 . 52147 1 1018 . 1 . 1 89 89 ASN HD21 H 1 6.813 0.010 . . . . . . . 89 N HD21 . 52147 1 1019 . 1 . 1 89 89 ASN HD22 H 1 7.498 0.010 . . . . . . . 89 N HD22 . 52147 1 1020 . 1 . 1 89 89 ASN CA C 13 54.191 0.000 . . . . . . . 89 N CA . 52147 1 1021 . 1 . 1 89 89 ASN CB C 13 39.832 0.010 . . . . . . . 89 N CB . 52147 1 1022 . 1 . 1 89 89 ASN N N 15 125.237 0.000 . . . . . . . 89 N N . 52147 1 1023 . 1 . 1 89 89 ASN ND2 N 15 112.315 0.010 . . . . . . . 89 N ND2 . 52147 1 stop_ save_