data_30613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30613 _Entry.Title ; CS-Rosetta Model of PEA-15 Death Effector Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-03 _Entry.Accession_date 2019-06-03 _Entry.Last_release_date 2019-07-15 _Entry.Original_release_date 2019-07-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30613 stop_ 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 Y. Wei Y. . . . 30613 2 S. 'Crespo Flores' S. . . . 30613 3 A. Cabezas A. . . . 30613 4 S. Hassan S. . . . 30613 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 30613 'MAP kinase' . 30613 'protein-protein interaction' . 30613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 30613 '15N chemical shifts' 87 30613 '1H chemical shifts' 179 30613 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-07-19 . original BMRB . 30613 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30614 'CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2' 30613 PDB 6P6B . 30613 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30613 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. 'Crespo Flores' S. . . . 30613 1 2 A. Cabezas A. . . . 30613 1 3 S. Hassan S. . . . 30613 1 4 Y. Wei Y. . . . 30613 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30613 _Assembly.ID 1 _Assembly.Name 'Astrocytic phosphoprotein PEA-15' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30613 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAEYGTLLQDLTNNITLEDL EQLKSACKEDIPSEKSEEIT TGSAWFSFLESHNKLDKDNL SYIEHIFEISRRPDLLTMVV DYRTRVLKIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-90' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10450.754 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '15 kDa phosphoprotein enriched in astrocytes' na 30613 1 PED na 30613 1 'Phosphoprotein enriched in diabetes' na 30613 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 . MET . 30613 1 2 . ALA . 30613 1 3 . GLU . 30613 1 4 . TYR . 30613 1 5 . GLY . 30613 1 6 . THR . 30613 1 7 . LEU . 30613 1 8 . LEU . 30613 1 9 . GLN . 30613 1 10 . ASP . 30613 1 11 . LEU . 30613 1 12 . THR . 30613 1 13 . ASN . 30613 1 14 . ASN . 30613 1 15 . ILE . 30613 1 16 . THR . 30613 1 17 . LEU . 30613 1 18 . GLU . 30613 1 19 . ASP . 30613 1 20 . LEU . 30613 1 21 . GLU . 30613 1 22 . GLN . 30613 1 23 . LEU . 30613 1 24 . LYS . 30613 1 25 . SER . 30613 1 26 . ALA . 30613 1 27 . CYS . 30613 1 28 . LYS . 30613 1 29 . GLU . 30613 1 30 . ASP . 30613 1 31 . ILE . 30613 1 32 . PRO . 30613 1 33 . SER . 30613 1 34 . GLU . 30613 1 35 . LYS . 30613 1 36 . SER . 30613 1 37 . GLU . 30613 1 38 . GLU . 30613 1 39 . ILE . 30613 1 40 . THR . 30613 1 41 . THR . 30613 1 42 . GLY . 30613 1 43 . SER . 30613 1 44 . ALA . 30613 1 45 . TRP . 30613 1 46 . PHE . 30613 1 47 . SER . 30613 1 48 . PHE . 30613 1 49 . LEU . 30613 1 50 . GLU . 30613 1 51 . SER . 30613 1 52 . HIS . 30613 1 53 . ASN . 30613 1 54 . LYS . 30613 1 55 . LEU . 30613 1 56 . ASP . 30613 1 57 . LYS . 30613 1 58 . ASP . 30613 1 59 . ASN . 30613 1 60 . LEU . 30613 1 61 . SER . 30613 1 62 . TYR . 30613 1 63 . ILE . 30613 1 64 . GLU . 30613 1 65 . HIS . 30613 1 66 . ILE . 30613 1 67 . PHE . 30613 1 68 . GLU . 30613 1 69 . ILE . 30613 1 70 . SER . 30613 1 71 . ARG . 30613 1 72 . ARG . 30613 1 73 . PRO . 30613 1 74 . ASP . 30613 1 75 . LEU . 30613 1 76 . LEU . 30613 1 77 . THR . 30613 1 78 . MET . 30613 1 79 . VAL . 30613 1 80 . VAL . 30613 1 81 . ASP . 30613 1 82 . TYR . 30613 1 83 . ARG . 30613 1 84 . THR . 30613 1 85 . ARG . 30613 1 86 . VAL . 30613 1 87 . LEU . 30613 1 88 . LYS . 30613 1 89 . ILE . 30613 1 90 . SER . 30613 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30613 1 . ALA 2 2 30613 1 . GLU 3 3 30613 1 . TYR 4 4 30613 1 . GLY 5 5 30613 1 . THR 6 6 30613 1 . LEU 7 7 30613 1 . LEU 8 8 30613 1 . GLN 9 9 30613 1 . ASP 10 10 30613 1 . LEU 11 11 30613 1 . THR 12 12 30613 1 . ASN 13 13 30613 1 . ASN 14 14 30613 1 . ILE 15 15 30613 1 . THR 16 16 30613 1 . LEU 17 17 30613 1 . GLU 18 18 30613 1 . ASP 19 19 30613 1 . LEU 20 20 30613 1 . GLU 21 21 30613 1 . GLN 22 22 30613 1 . LEU 23 23 30613 1 . LYS 24 24 30613 1 . SER 25 25 30613 1 . ALA 26 26 30613 1 . CYS 27 27 30613 1 . LYS 28 28 30613 1 . GLU 29 29 30613 1 . ASP 30 30 30613 1 . ILE 31 31 30613 1 . PRO 32 32 30613 1 . SER 33 33 30613 1 . GLU 34 34 30613 1 . LYS 35 35 30613 1 . SER 36 36 30613 1 . GLU 37 37 30613 1 . GLU 38 38 30613 1 . ILE 39 39 30613 1 . THR 40 40 30613 1 . THR 41 41 30613 1 . GLY 42 42 30613 1 . SER 43 43 30613 1 . ALA 44 44 30613 1 . TRP 45 45 30613 1 . PHE 46 46 30613 1 . SER 47 47 30613 1 . PHE 48 48 30613 1 . LEU 49 49 30613 1 . GLU 50 50 30613 1 . SER 51 51 30613 1 . HIS 52 52 30613 1 . ASN 53 53 30613 1 . LYS 54 54 30613 1 . LEU 55 55 30613 1 . ASP 56 56 30613 1 . LYS 57 57 30613 1 . ASP 58 58 30613 1 . ASN 59 59 30613 1 . LEU 60 60 30613 1 . SER 61 61 30613 1 . TYR 62 62 30613 1 . ILE 63 63 30613 1 . GLU 64 64 30613 1 . HIS 65 65 30613 1 . ILE 66 66 30613 1 . PHE 67 67 30613 1 . GLU 68 68 30613 1 . ILE 69 69 30613 1 . SER 70 70 30613 1 . ARG 71 71 30613 1 . ARG 72 72 30613 1 . PRO 73 73 30613 1 . ASP 74 74 30613 1 . LEU 75 75 30613 1 . LEU 76 76 30613 1 . THR 77 77 30613 1 . MET 78 78 30613 1 . VAL 79 79 30613 1 . VAL 80 80 30613 1 . ASP 81 81 30613 1 . TYR 82 82 30613 1 . ARG 83 83 30613 1 . THR 84 84 30613 1 . ARG 85 85 30613 1 . VAL 86 86 30613 1 . LEU 87 87 30613 1 . LYS 88 88 30613 1 . ILE 89 89 30613 1 . SER 90 90 30613 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30613 _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 . . . . . . . . . . . PEA15 . 30613 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30613 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30613 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 0.1 mM dithiothreitol, 50 uM sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30613 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30613 1 3 dithiothreitol 'natural abundance' . . . . . . 0.1 . . mM . . . . 30613 1 4 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 30613 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 30613 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 7.0 0.01 pH 30613 1 pressure 1 . atm 30613 1 temperature 298 . K 30613 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30613 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30613 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30613 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30613 _Software.ID 2 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30613 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30613 2 . 'structure calculation' 30613 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30613 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30613 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30613 3 . 'peak picking' 30613 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30613 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30613 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 30613 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30613 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30613 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30613 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30613 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 30613 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 carbons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30613 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30613 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30613 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 30613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30613 1 2 '3D CBCA(CO)NH' . . . 30613 1 3 '3D HNCACB' . . . 30613 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.457 . . . . . . . A 1 MET HA . 30613 1 2 . 1 1 1 1 MET CA C 13 57.205 . . . . . . . A 1 MET CA . 30613 1 3 . 1 1 1 1 MET CB C 13 32.139 . . . . . . . A 1 MET CB . 30613 1 4 . 1 1 2 2 ALA H H 1 8.326 . . . . . . . A 2 ALA H . 30613 1 5 . 1 1 2 2 ALA HA H 1 4.199 . . . . . . . A 2 ALA HA . 30613 1 6 . 1 1 2 2 ALA CA C 13 54.652 . . . . . . . A 2 ALA CA . 30613 1 7 . 1 1 2 2 ALA CB C 13 18.385 . . . . . . . A 2 ALA CB . 30613 1 8 . 1 1 2 2 ALA N N 15 124.384 . . . . . . . A 2 ALA N . 30613 1 9 . 1 1 3 3 GLU H H 1 8.411 . . . . . . . A 3 GLU H . 30613 1 10 . 1 1 3 3 GLU HA H 1 4.198 . . . . . . . A 3 GLU HA . 30613 1 11 . 1 1 3 3 GLU CA C 13 59.404 . . . . . . . A 3 GLU CA . 30613 1 12 . 1 1 3 3 GLU CB C 13 29.556 . . . . . . . A 3 GLU CB . 30613 1 13 . 1 1 3 3 GLU N N 15 118.800 . . . . . . . A 3 GLU N . 30613 1 14 . 1 1 4 4 TYR H H 1 8.448 . . . . . . . A 4 TYR H . 30613 1 15 . 1 1 4 4 TYR HA H 1 4.004 . . . . . . . A 4 TYR HA . 30613 1 16 . 1 1 4 4 TYR CA C 13 60.632 . . . . . . . A 4 TYR CA . 30613 1 17 . 1 1 4 4 TYR CB C 13 38.402 . . . . . . . A 4 TYR CB . 30613 1 18 . 1 1 4 4 TYR N N 15 123.838 . . . . . . . A 4 TYR N . 30613 1 19 . 1 1 5 5 GLY H H 1 8.250 . . . . . . . A 5 GLY H . 30613 1 20 . 1 1 5 5 GLY HA2 H 1 3.793 . . . . . . . A 5 GLY HA2 . 30613 1 21 . 1 1 5 5 GLY HA3 H 1 3.413 . . . . . . . A 5 GLY HA3 . 30613 1 22 . 1 1 5 5 GLY CA C 13 47.142 . . . . . . . A 5 GLY CA . 30613 1 23 . 1 1 5 5 GLY N N 15 105.816 . . . . . . . A 5 GLY N . 30613 1 24 . 1 1 6 6 THR H H 1 7.868 . . . . . . . A 6 THR H . 30613 1 25 . 1 1 6 6 THR HA H 1 3.802 . . . . . . . A 6 THR HA . 30613 1 26 . 1 1 6 6 THR CA C 13 66.449 . . . . . . . A 6 THR CA . 30613 1 27 . 1 1 6 6 THR CB C 13 68.391 . . . . . . . A 6 THR CB . 30613 1 28 . 1 1 6 6 THR N N 15 119.523 . . . . . . . A 6 THR N . 30613 1 29 . 1 1 7 7 LEU H H 1 7.594 . . . . . . . A 7 LEU H . 30613 1 30 . 1 1 7 7 LEU HA H 1 4.239 . . . . . . . A 7 LEU HA . 30613 1 31 . 1 1 7 7 LEU CA C 13 58.225 . . . . . . . A 7 LEU CA . 30613 1 32 . 1 1 7 7 LEU CB C 13 39.753 . . . . . . . A 7 LEU CB . 30613 1 33 . 1 1 7 7 LEU N N 15 123.502 . . . . . . . A 7 LEU N . 30613 1 34 . 1 1 8 8 LEU H H 1 7.654 . . . . . . . A 8 LEU H . 30613 1 35 . 1 1 8 8 LEU HA H 1 3.273 . . . . . . . A 8 LEU HA . 30613 1 36 . 1 1 8 8 LEU CA C 13 58.134 . . . . . . . A 8 LEU CA . 30613 1 37 . 1 1 8 8 LEU CB C 13 40.136 . . . . . . . A 8 LEU CB . 30613 1 38 . 1 1 8 8 LEU N N 15 115.222 . . . . . . . A 8 LEU N . 30613 1 39 . 1 1 9 9 GLN H H 1 7.688 . . . . . . . A 9 GLN H . 30613 1 40 . 1 1 9 9 GLN HA H 1 3.879 . . . . . . . A 9 GLN HA . 30613 1 41 . 1 1 9 9 GLN CA C 13 58.776 . . . . . . . A 9 GLN CA . 30613 1 42 . 1 1 9 9 GLN CB C 13 28.928 . . . . . . . A 9 GLN CB . 30613 1 43 . 1 1 9 9 GLN N N 15 120.743 . . . . . . . A 9 GLN N . 30613 1 44 . 1 1 10 10 ASP H H 1 8.656 . . . . . . . A 10 ASP H . 30613 1 45 . 1 1 10 10 ASP HA H 1 4.333 . . . . . . . A 10 ASP HA . 30613 1 46 . 1 1 10 10 ASP CA C 13 57.677 . . . . . . . A 10 ASP CA . 30613 1 47 . 1 1 10 10 ASP CB C 13 39.937 . . . . . . . A 10 ASP CB . 30613 1 48 . 1 1 10 10 ASP N N 15 122.554 . . . . . . . A 10 ASP N . 30613 1 49 . 1 1 11 11 LEU H H 1 8.805 . . . . . . . A 11 LEU H . 30613 1 50 . 1 1 11 11 LEU HA H 1 3.886 . . . . . . . A 11 LEU HA . 30613 1 51 . 1 1 11 11 LEU CA C 13 58.485 . . . . . . . A 11 LEU CA . 30613 1 52 . 1 1 11 11 LEU CB C 13 43.253 . . . . . . . A 11 LEU CB . 30613 1 53 . 1 1 11 11 LEU N N 15 119.408 . . . . . . . A 11 LEU N . 30613 1 54 . 1 1 12 12 THR H H 1 8.305 . . . . . . . A 12 THR H . 30613 1 55 . 1 1 12 12 THR HA H 1 3.875 . . . . . . . A 12 THR HA . 30613 1 56 . 1 1 12 12 THR CA C 13 67.829 . . . . . . . A 12 THR CA . 30613 1 57 . 1 1 12 12 THR CB C 13 68.521 . . . . . . . A 12 THR CB . 30613 1 58 . 1 1 12 12 THR N N 15 113.945 . . . . . . . A 12 THR N . 30613 1 59 . 1 1 13 13 ASN H H 1 8.180 . . . . . . . A 13 ASN H . 30613 1 60 . 1 1 13 13 ASN HA H 1 4.590 . . . . . . . A 13 ASN HA . 30613 1 61 . 1 1 13 13 ASN CA C 13 54.650 . . . . . . . A 13 ASN CA . 30613 1 62 . 1 1 13 13 ASN CB C 13 38.263 . . . . . . . A 13 ASN CB . 30613 1 63 . 1 1 13 13 ASN N N 15 119.138 . . . . . . . A 13 ASN N . 30613 1 64 . 1 1 14 14 ASN H H 1 7.778 . . . . . . . A 14 ASN H . 30613 1 65 . 1 1 14 14 ASN HA H 1 4.826 . . . . . . . A 14 ASN HA . 30613 1 66 . 1 1 14 14 ASN CA C 13 53.358 . . . . . . . A 14 ASN CA . 30613 1 67 . 1 1 14 14 ASN CB C 13 41.458 . . . . . . . A 14 ASN CB . 30613 1 68 . 1 1 14 14 ASN N N 15 117.905 . . . . . . . A 14 ASN N . 30613 1 69 . 1 1 15 15 ILE H H 1 7.234 . . . . . . . A 15 ILE H . 30613 1 70 . 1 1 15 15 ILE HA H 1 4.711 . . . . . . . A 15 ILE HA . 30613 1 71 . 1 1 15 15 ILE CA C 13 60.877 . . . . . . . A 15 ILE CA . 30613 1 72 . 1 1 15 15 ILE CB C 13 41.344 . . . . . . . A 15 ILE CB . 30613 1 73 . 1 1 15 15 ILE N N 15 120.690 . . . . . . . A 15 ILE N . 30613 1 74 . 1 1 16 16 THR H H 1 9.188 . . . . . . . A 16 THR H . 30613 1 75 . 1 1 16 16 THR HA H 1 4.536 . . . . . . . A 16 THR HA . 30613 1 76 . 1 1 16 16 THR CA C 13 60.804 . . . . . . . A 16 THR CA . 30613 1 77 . 1 1 16 16 THR CB C 13 71.263 . . . . . . . A 16 THR CB . 30613 1 78 . 1 1 16 16 THR N N 15 120.066 . . . . . . . A 16 THR N . 30613 1 79 . 1 1 17 17 LEU H H 1 8.662 . . . . . . . A 17 LEU H . 30613 1 80 . 1 1 17 17 LEU HA H 1 3.996 . . . . . . . A 17 LEU HA . 30613 1 81 . 1 1 17 17 LEU CA C 13 58.693 . . . . . . . A 17 LEU CA . 30613 1 82 . 1 1 17 17 LEU CB C 13 41.327 . . . . . . . A 17 LEU CB . 30613 1 83 . 1 1 17 17 LEU N N 15 121.043 . . . . . . . A 17 LEU N . 30613 1 84 . 1 1 18 18 GLU H H 1 8.374 . . . . . . . A 18 GLU H . 30613 1 85 . 1 1 18 18 GLU HA H 1 3.947 . . . . . . . A 18 GLU HA . 30613 1 86 . 1 1 18 18 GLU CA C 13 59.986 . . . . . . . A 18 GLU CA . 30613 1 87 . 1 1 18 18 GLU CB C 13 29.148 . . . . . . . A 18 GLU CB . 30613 1 88 . 1 1 18 18 GLU N N 15 118.968 . . . . . . . A 18 GLU N . 30613 1 89 . 1 1 19 19 ASP H H 1 7.857 . . . . . . . A 19 ASP H . 30613 1 90 . 1 1 19 19 ASP HA H 1 4.143 . . . . . . . A 19 ASP HA . 30613 1 91 . 1 1 19 19 ASP CA C 13 56.591 . . . . . . . A 19 ASP CA . 30613 1 92 . 1 1 19 19 ASP CB C 13 41.312 . . . . . . . A 19 ASP CB . 30613 1 93 . 1 1 19 19 ASP N N 15 121.542 . . . . . . . A 19 ASP N . 30613 1 94 . 1 1 20 20 LEU H H 1 8.412 . . . . . . . A 20 LEU H . 30613 1 95 . 1 1 20 20 LEU HA H 1 3.417 . . . . . . . A 20 LEU HA . 30613 1 96 . 1 1 20 20 LEU CA C 13 56.914 . . . . . . . A 20 LEU CA . 30613 1 97 . 1 1 20 20 LEU CB C 13 41.102 . . . . . . . A 20 LEU CB . 30613 1 98 . 1 1 20 20 LEU N N 15 120.904 . . . . . . . A 20 LEU N . 30613 1 99 . 1 1 21 21 GLU H H 1 7.462 . . . . . . . A 21 GLU H . 30613 1 100 . 1 1 21 21 GLU HA H 1 3.798 . . . . . . . A 21 GLU HA . 30613 1 101 . 1 1 21 21 GLU CA C 13 59.271 . . . . . . . A 21 GLU CA . 30613 1 102 . 1 1 21 21 GLU CB C 13 28.917 . . . . . . . A 21 GLU CB . 30613 1 103 . 1 1 21 21 GLU N N 15 117.187 . . . . . . . A 21 GLU N . 30613 1 104 . 1 1 22 22 GLN H H 1 7.135 . . . . . . . A 22 GLN H . 30613 1 105 . 1 1 22 22 GLN HA H 1 4.019 . . . . . . . A 22 GLN HA . 30613 1 106 . 1 1 22 22 GLN CA C 13 58.587 . . . . . . . A 22 GLN CA . 30613 1 107 . 1 1 22 22 GLN CB C 13 28.235 . . . . . . . A 22 GLN CB . 30613 1 108 . 1 1 22 22 GLN N N 15 118.617 . . . . . . . A 22 GLN N . 30613 1 109 . 1 1 23 23 LEU H H 1 7.833 . . . . . . . A 23 LEU H . 30613 1 110 . 1 1 23 23 LEU HA H 1 3.705 . . . . . . . A 23 LEU HA . 30613 1 111 . 1 1 23 23 LEU CA C 13 57.785 . . . . . . . A 23 LEU CA . 30613 1 112 . 1 1 23 23 LEU CB C 13 39.620 . . . . . . . A 23 LEU CB . 30613 1 113 . 1 1 23 23 LEU N N 15 121.325 . . . . . . . A 23 LEU N . 30613 1 114 . 1 1 24 24 LYS H H 1 8.307 . . . . . . . A 24 LYS H . 30613 1 115 . 1 1 24 24 LYS HA H 1 3.650 . . . . . . . A 24 LYS HA . 30613 1 116 . 1 1 24 24 LYS CA C 13 60.545 . . . . . . . A 24 LYS CA . 30613 1 117 . 1 1 24 24 LYS CB C 13 31.812 . . . . . . . A 24 LYS CB . 30613 1 118 . 1 1 24 24 LYS N N 15 116.045 . . . . . . . A 24 LYS N . 30613 1 119 . 1 1 25 25 SER H H 1 7.781 . . . . . . . A 25 SER H . 30613 1 120 . 1 1 25 25 SER HA H 1 4.111 . . . . . . . A 25 SER HA . 30613 1 121 . 1 1 25 25 SER CA C 13 61.557 . . . . . . . A 25 SER CA . 30613 1 122 . 1 1 25 25 SER CB C 13 62.565 . . . . . . . A 25 SER CB . 30613 1 123 . 1 1 25 25 SER N N 15 116.071 . . . . . . . A 25 SER N . 30613 1 124 . 1 1 26 26 ALA H H 1 7.735 . . . . . . . A 26 ALA H . 30613 1 125 . 1 1 26 26 ALA HA H 1 4.175 . . . . . . . A 26 ALA HA . 30613 1 126 . 1 1 26 26 ALA CA C 13 54.249 . . . . . . . A 26 ALA CA . 30613 1 127 . 1 1 26 26 ALA CB C 13 18.713 . . . . . . . A 26 ALA CB . 30613 1 128 . 1 1 26 26 ALA N N 15 123.448 . . . . . . . A 26 ALA N . 30613 1 129 . 1 1 27 27 CYS H H 1 7.390 . . . . . . . A 27 CYS H . 30613 1 130 . 1 1 27 27 CYS HA H 1 4.631 . . . . . . . A 27 CYS HA . 30613 1 131 . 1 1 27 27 CYS CA C 13 59.381 . . . . . . . A 27 CYS CA . 30613 1 132 . 1 1 27 27 CYS CB C 13 28.634 . . . . . . . A 27 CYS CB . 30613 1 133 . 1 1 27 27 CYS N N 15 113.480 . . . . . . . A 27 CYS N . 30613 1 134 . 1 1 28 28 LYS H H 1 7.634 . . . . . . . A 28 LYS H . 30613 1 135 . 1 1 28 28 LYS HA H 1 3.945 . . . . . . . A 28 LYS HA . 30613 1 136 . 1 1 28 28 LYS CA C 13 58.420 . . . . . . . A 28 LYS CA . 30613 1 137 . 1 1 28 28 LYS CB C 13 31.547 . . . . . . . A 28 LYS CB . 30613 1 138 . 1 1 28 28 LYS N N 15 118.354 . . . . . . . A 28 LYS N . 30613 1 139 . 1 1 29 29 GLU H H 1 8.552 . . . . . . . A 29 GLU H . 30613 1 140 . 1 1 29 29 GLU HA H 1 4.157 . . . . . . . A 29 GLU HA . 30613 1 141 . 1 1 29 29 GLU CA C 13 58.240 . . . . . . . A 29 GLU CA . 30613 1 142 . 1 1 29 29 GLU CB C 13 28.864 . . . . . . . A 29 GLU CB . 30613 1 143 . 1 1 29 29 GLU N N 15 118.875 . . . . . . . A 29 GLU N . 30613 1 144 . 1 1 30 30 ASP H H 1 7.962 . . . . . . . A 30 ASP H . 30613 1 145 . 1 1 30 30 ASP HA H 1 4.588 . . . . . . . A 30 ASP HA . 30613 1 146 . 1 1 30 30 ASP CA C 13 55.883 . . . . . . . A 30 ASP CA . 30613 1 147 . 1 1 30 30 ASP CB C 13 41.527 . . . . . . . A 30 ASP CB . 30613 1 148 . 1 1 30 30 ASP N N 15 117.610 . . . . . . . A 30 ASP N . 30613 1 149 . 1 1 31 31 ILE H H 1 7.317 . . . . . . . A 31 ILE H . 30613 1 150 . 1 1 31 31 ILE HA H 1 4.367 . . . . . . . A 31 ILE HA . 30613 1 151 . 1 1 31 31 ILE CA C 13 58.033 . . . . . . . A 31 ILE CA . 30613 1 152 . 1 1 31 31 ILE CB C 13 38.769 . . . . . . . A 31 ILE CB . 30613 1 153 . 1 1 31 31 ILE N N 15 116.930 . . . . . . . A 31 ILE N . 30613 1 154 . 1 1 32 32 PRO HA H 1 4.461 . . . . . . . A 32 PRO HA . 30613 1 155 . 1 1 32 32 PRO CA C 13 62.845 . . . . . . . A 32 PRO CA . 30613 1 156 . 1 1 32 32 PRO CB C 13 32.514 . . . . . . . A 32 PRO CB . 30613 1 157 . 1 1 33 33 SER H H 1 8.778 . . . . . . . A 33 SER H . 30613 1 158 . 1 1 33 33 SER HA H 1 4.141 . . . . . . . A 33 SER HA . 30613 1 159 . 1 1 33 33 SER CA C 13 61.125 . . . . . . . A 33 SER CA . 30613 1 160 . 1 1 33 33 SER CB C 13 63.000 . . . . . . . A 33 SER CB . 30613 1 161 . 1 1 33 33 SER N N 15 119.808 . . . . . . . A 33 SER N . 30613 1 162 . 1 1 34 34 GLU H H 1 9.336 . . . . . . . A 34 GLU H . 30613 1 163 . 1 1 34 34 GLU HA H 1 4.205 . . . . . . . A 34 GLU HA . 30613 1 164 . 1 1 34 34 GLU CA C 13 58.700 . . . . . . . A 34 GLU CA . 30613 1 165 . 1 1 34 34 GLU CB C 13 28.712 . . . . . . . A 34 GLU CB . 30613 1 166 . 1 1 34 34 GLU N N 15 120.906 . . . . . . . A 34 GLU N . 30613 1 167 . 1 1 35 35 LYS H H 1 7.659 . . . . . . . A 35 LYS H . 30613 1 168 . 1 1 35 35 LYS HA H 1 4.347 . . . . . . . A 35 LYS HA . 30613 1 169 . 1 1 35 35 LYS CA C 13 55.460 . . . . . . . A 35 LYS CA . 30613 1 170 . 1 1 35 35 LYS CB C 13 32.257 . . . . . . . A 35 LYS CB . 30613 1 171 . 1 1 35 35 LYS N N 15 117.698 . . . . . . . A 35 LYS N . 30613 1 172 . 1 1 36 36 SER H H 1 7.732 . . . . . . . A 36 SER H . 30613 1 173 . 1 1 36 36 SER HA H 1 3.652 . . . . . . . A 36 SER HA . 30613 1 174 . 1 1 36 36 SER CA C 13 61.450 . . . . . . . A 36 SER CA . 30613 1 175 . 1 1 36 36 SER CB C 13 62.820 . . . . . . . A 36 SER CB . 30613 1 176 . 1 1 36 36 SER N N 15 114.472 . . . . . . . A 36 SER N . 30613 1 177 . 1 1 37 37 GLU H H 1 8.187 . . . . . . . A 37 GLU H . 30613 1 178 . 1 1 37 37 GLU HA H 1 3.970 . . . . . . . A 37 GLU HA . 30613 1 179 . 1 1 37 37 GLU CA C 13 58.113 . . . . . . . A 37 GLU CA . 30613 1 180 . 1 1 37 37 GLU CB C 13 29.544 . . . . . . . A 37 GLU CB . 30613 1 181 . 1 1 37 37 GLU N N 15 118.258 . . . . . . . A 37 GLU N . 30613 1 182 . 1 1 38 38 GLU H H 1 7.472 . . . . . . . A 38 GLU H . 30613 1 183 . 1 1 38 38 GLU HA H 1 4.196 . . . . . . . A 38 GLU HA . 30613 1 184 . 1 1 38 38 GLU CA C 13 56.494 . . . . . . . A 38 GLU CA . 30613 1 185 . 1 1 38 38 GLU CB C 13 30.102 . . . . . . . A 38 GLU CB . 30613 1 186 . 1 1 38 38 GLU N N 15 115.652 . . . . . . . A 38 GLU N . 30613 1 187 . 1 1 39 39 ILE H H 1 7.504 . . . . . . . A 39 ILE H . 30613 1 188 . 1 1 39 39 ILE HA H 1 3.985 . . . . . . . A 39 ILE HA . 30613 1 189 . 1 1 39 39 ILE CA C 13 60.919 . . . . . . . A 39 ILE CA . 30613 1 190 . 1 1 39 39 ILE CB C 13 37.404 . . . . . . . A 39 ILE CB . 30613 1 191 . 1 1 39 39 ILE N N 15 121.367 . . . . . . . A 39 ILE N . 30613 1 192 . 1 1 40 40 THR H H 1 8.173 . . . . . . . A 40 THR H . 30613 1 193 . 1 1 40 40 THR HA H 1 4.459 . . . . . . . A 40 THR HA . 30613 1 194 . 1 1 40 40 THR CA C 13 61.169 . . . . . . . A 40 THR CA . 30613 1 195 . 1 1 40 40 THR CB C 13 69.913 . . . . . . . A 40 THR CB . 30613 1 196 . 1 1 40 40 THR N N 15 115.102 . . . . . . . A 40 THR N . 30613 1 197 . 1 1 41 41 THR H H 1 7.104 . . . . . . . A 41 THR H . 30613 1 198 . 1 1 41 41 THR HA H 1 4.602 . . . . . . . A 41 THR HA . 30613 1 199 . 1 1 41 41 THR CA C 13 59.116 . . . . . . . A 41 THR CA . 30613 1 200 . 1 1 41 41 THR CB C 13 73.442 . . . . . . . A 41 THR CB . 30613 1 201 . 1 1 41 41 THR N N 15 108.664 . . . . . . . A 41 THR N . 30613 1 202 . 1 1 42 42 GLY H H 1 9.196 . . . . . . . A 42 GLY H . 30613 1 203 . 1 1 42 42 GLY HA2 H 1 3.931 . . . . . . . A 42 GLY HA2 . 30613 1 204 . 1 1 42 42 GLY HA3 H 1 3.617 . . . . . . . A 42 GLY HA3 . 30613 1 205 . 1 1 42 42 GLY CA C 13 47.511 . . . . . . . A 42 GLY CA . 30613 1 206 . 1 1 42 42 GLY N N 15 109.200 . . . . . . . A 42 GLY N . 30613 1 207 . 1 1 43 43 SER H H 1 8.208 . . . . . . . A 43 SER H . 30613 1 208 . 1 1 43 43 SER HA H 1 4.360 . . . . . . . A 43 SER HA . 30613 1 209 . 1 1 43 43 SER CA C 13 61.523 . . . . . . . A 43 SER CA . 30613 1 210 . 1 1 43 43 SER CB C 13 62.448 . . . . . . . A 43 SER CB . 30613 1 211 . 1 1 43 43 SER N N 15 114.564 . . . . . . . A 43 SER N . 30613 1 212 . 1 1 44 44 ALA H H 1 7.964 . . . . . . . A 44 ALA H . 30613 1 213 . 1 1 44 44 ALA HA H 1 4.281 . . . . . . . A 44 ALA HA . 30613 1 214 . 1 1 44 44 ALA CA C 13 54.526 . . . . . . . A 44 ALA CA . 30613 1 215 . 1 1 44 44 ALA CB C 13 19.333 . . . . . . . A 44 ALA CB . 30613 1 216 . 1 1 44 44 ALA N N 15 123.757 . . . . . . . A 44 ALA N . 30613 1 217 . 1 1 45 45 TRP H H 1 8.001 . . . . . . . A 45 TRP H . 30613 1 218 . 1 1 45 45 TRP HA H 1 4.228 . . . . . . . A 45 TRP HA . 30613 1 219 . 1 1 45 45 TRP CA C 13 61.630 . . . . . . . A 45 TRP CA . 30613 1 220 . 1 1 45 45 TRP CB C 13 27.524 . . . . . . . A 45 TRP CB . 30613 1 221 . 1 1 45 45 TRP N N 15 122.904 . . . . . . . A 45 TRP N . 30613 1 222 . 1 1 46 46 PHE H H 1 8.250 . . . . . . . A 46 PHE H . 30613 1 223 . 1 1 46 46 PHE HA H 1 3.886 . . . . . . . A 46 PHE HA . 30613 1 224 . 1 1 46 46 PHE CA C 13 61.692 . . . . . . . A 46 PHE CA . 30613 1 225 . 1 1 46 46 PHE CB C 13 37.845 . . . . . . . A 46 PHE CB . 30613 1 226 . 1 1 46 46 PHE N N 15 116.699 . . . . . . . A 46 PHE N . 30613 1 227 . 1 1 47 47 SER H H 1 8.331 . . . . . . . A 47 SER H . 30613 1 228 . 1 1 47 47 SER HA H 1 4.419 . . . . . . . A 47 SER HA . 30613 1 229 . 1 1 47 47 SER CA C 13 61.723 . . . . . . . A 47 SER CA . 30613 1 230 . 1 1 47 47 SER CB C 13 62.769 . . . . . . . A 47 SER CB . 30613 1 231 . 1 1 47 47 SER N N 15 113.740 . . . . . . . A 47 SER N . 30613 1 232 . 1 1 48 48 PHE H H 1 8.175 . . . . . . . A 48 PHE H . 30613 1 233 . 1 1 48 48 PHE HA H 1 4.252 . . . . . . . A 48 PHE HA . 30613 1 234 . 1 1 48 48 PHE CA C 13 61.787 . . . . . . . A 48 PHE CA . 30613 1 235 . 1 1 48 48 PHE CB C 13 38.931 . . . . . . . A 48 PHE CB . 30613 1 236 . 1 1 48 48 PHE N N 15 124.310 . . . . . . . A 48 PHE N . 30613 1 237 . 1 1 49 49 LEU H H 1 8.212 . . . . . . . A 49 LEU H . 30613 1 238 . 1 1 49 49 LEU HA H 1 3.522 . . . . . . . A 49 LEU HA . 30613 1 239 . 1 1 49 49 LEU CA C 13 58.233 . . . . . . . A 49 LEU CA . 30613 1 240 . 1 1 49 49 LEU CB C 13 41.525 . . . . . . . A 49 LEU CB . 30613 1 241 . 1 1 49 49 LEU N N 15 120.565 . . . . . . . A 49 LEU N . 30613 1 242 . 1 1 50 50 GLU H H 1 8.702 . . . . . . . A 50 GLU H . 30613 1 243 . 1 1 50 50 GLU HA H 1 4.576 . . . . . . . A 50 GLU HA . 30613 1 244 . 1 1 50 50 GLU CA C 13 59.176 . . . . . . . A 50 GLU CA . 30613 1 245 . 1 1 50 50 GLU CB C 13 30.624 . . . . . . . A 50 GLU CB . 30613 1 246 . 1 1 50 50 GLU N N 15 120.639 . . . . . . . A 50 GLU N . 30613 1 247 . 1 1 51 51 SER H H 1 8.272 . . . . . . . A 51 SER H . 30613 1 248 . 1 1 51 51 SER HA H 1 4.178 . . . . . . . A 51 SER HA . 30613 1 249 . 1 1 51 51 SER CA C 13 60.575 . . . . . . . A 51 SER CA . 30613 1 250 . 1 1 51 51 SER CB C 13 62.881 . . . . . . . A 51 SER CB . 30613 1 251 . 1 1 51 51 SER N N 15 116.044 . . . . . . . A 51 SER N . 30613 1 252 . 1 1 52 52 HIS H H 1 7.217 . . . . . . . A 52 HIS H . 30613 1 253 . 1 1 52 52 HIS HA H 1 4.404 . . . . . . . A 52 HIS HA . 30613 1 254 . 1 1 52 52 HIS CA C 13 56.417 . . . . . . . A 52 HIS CA . 30613 1 255 . 1 1 52 52 HIS CB C 13 28.420 . . . . . . . A 52 HIS CB . 30613 1 256 . 1 1 52 52 HIS N N 15 118.134 . . . . . . . A 52 HIS N . 30613 1 257 . 1 1 53 53 ASN H H 1 7.893 . . . . . . . A 53 ASN H . 30613 1 258 . 1 1 53 53 ASN HA H 1 4.510 . . . . . . . A 53 ASN HA . 30613 1 259 . 1 1 53 53 ASN CA C 13 54.805 . . . . . . . A 53 ASN CA . 30613 1 260 . 1 1 53 53 ASN CB C 13 36.763 . . . . . . . A 53 ASN CB . 30613 1 261 . 1 1 53 53 ASN N N 15 113.597 . . . . . . . A 53 ASN N . 30613 1 262 . 1 1 54 54 LYS H H 1 8.082 . . . . . . . A 54 LYS H . 30613 1 263 . 1 1 54 54 LYS HA H 1 4.235 . . . . . . . A 54 LYS HA . 30613 1 264 . 1 1 54 54 LYS CA C 13 54.263 . . . . . . . A 54 LYS CA . 30613 1 265 . 1 1 54 54 LYS CB C 13 33.545 . . . . . . . A 54 LYS CB . 30613 1 266 . 1 1 54 54 LYS N N 15 113.123 . . . . . . . A 54 LYS N . 30613 1 267 . 1 1 55 55 LEU H H 1 6.882 . . . . . . . A 55 LEU H . 30613 1 268 . 1 1 55 55 LEU HA H 1 4.655 . . . . . . . A 55 LEU HA . 30613 1 269 . 1 1 55 55 LEU CA C 13 55.267 . . . . . . . A 55 LEU CA . 30613 1 270 . 1 1 55 55 LEU CB C 13 46.377 . . . . . . . A 55 LEU CB . 30613 1 271 . 1 1 55 55 LEU N N 15 120.215 . . . . . . . A 55 LEU N . 30613 1 272 . 1 1 56 56 ASP H H 1 8.078 . . . . . . . A 56 ASP H . 30613 1 273 . 1 1 56 56 ASP HA H 1 4.392 . . . . . . . A 56 ASP HA . 30613 1 274 . 1 1 56 56 ASP CA C 13 53.666 . . . . . . . A 56 ASP CA . 30613 1 275 . 1 1 56 56 ASP CB C 13 42.315 . . . . . . . A 56 ASP CB . 30613 1 276 . 1 1 56 56 ASP N N 15 120.831 . . . . . . . A 56 ASP N . 30613 1 277 . 1 1 57 57 LYS H H 1 7.958 . . . . . . . A 57 LYS H . 30613 1 278 . 1 1 57 57 LYS HA H 1 3.365 . . . . . . . A 57 LYS HA . 30613 1 279 . 1 1 57 57 LYS CA C 13 58.652 . . . . . . . A 57 LYS CA . 30613 1 280 . 1 1 57 57 LYS CB C 13 31.318 . . . . . . . A 57 LYS CB . 30613 1 281 . 1 1 57 57 LYS N N 15 115.203 . . . . . . . A 57 LYS N . 30613 1 282 . 1 1 58 58 ASP H H 1 8.336 . . . . . . . A 58 ASP H . 30613 1 283 . 1 1 58 58 ASP HA H 1 4.957 . . . . . . . A 58 ASP HA . 30613 1 284 . 1 1 58 58 ASP CA C 13 54.283 . . . . . . . A 58 ASP CA . 30613 1 285 . 1 1 58 58 ASP CB C 13 43.059 . . . . . . . A 58 ASP CB . 30613 1 286 . 1 1 58 58 ASP N N 15 118.074 . . . . . . . A 58 ASP N . 30613 1 287 . 1 1 59 59 ASN H H 1 7.850 . . . . . . . A 59 ASN H . 30613 1 288 . 1 1 59 59 ASN HA H 1 4.960 . . . . . . . A 59 ASN HA . 30613 1 289 . 1 1 59 59 ASN CA C 13 52.729 . . . . . . . A 59 ASN CA . 30613 1 290 . 1 1 59 59 ASN CB C 13 38.877 . . . . . . . A 59 ASN CB . 30613 1 291 . 1 1 59 59 ASN N N 15 119.835 . . . . . . . A 59 ASN N . 30613 1 292 . 1 1 60 60 LEU H H 1 8.995 . . . . . . . A 60 LEU H . 30613 1 293 . 1 1 60 60 LEU HA H 1 4.560 . . . . . . . A 60 LEU HA . 30613 1 294 . 1 1 60 60 LEU CA C 13 54.248 . . . . . . . A 60 LEU CA . 30613 1 295 . 1 1 60 60 LEU CB C 13 42.190 . . . . . . . A 60 LEU CB . 30613 1 296 . 1 1 60 60 LEU N N 15 125.541 . . . . . . . A 60 LEU N . 30613 1 297 . 1 1 61 61 SER H H 1 7.880 . . . . . . . A 61 SER H . 30613 1 298 . 1 1 61 61 SER HA H 1 4.159 . . . . . . . A 61 SER HA . 30613 1 299 . 1 1 61 61 SER CA C 13 62.002 . . . . . . . A 61 SER CA . 30613 1 300 . 1 1 61 61 SER CB C 13 62.987 . . . . . . . A 61 SER CB . 30613 1 301 . 1 1 61 61 SER N N 15 114.344 . . . . . . . A 61 SER N . 30613 1 302 . 1 1 62 62 TYR H H 1 8.765 . . . . . . . A 62 TYR H . 30613 1 303 . 1 1 62 62 TYR HA H 1 4.299 . . . . . . . A 62 TYR HA . 30613 1 304 . 1 1 62 62 TYR CA C 13 62.205 . . . . . . . A 62 TYR CA . 30613 1 305 . 1 1 62 62 TYR CB C 13 38.925 . . . . . . . A 62 TYR CB . 30613 1 306 . 1 1 62 62 TYR N N 15 125.087 . . . . . . . A 62 TYR N . 30613 1 307 . 1 1 63 63 ILE H H 1 7.631 . . . . . . . A 63 ILE H . 30613 1 308 . 1 1 63 63 ILE HA H 1 3.642 . . . . . . . A 63 ILE HA . 30613 1 309 . 1 1 63 63 ILE CA C 13 65.118 . . . . . . . A 63 ILE CA . 30613 1 310 . 1 1 63 63 ILE CB C 13 37.383 . . . . . . . A 63 ILE CB . 30613 1 311 . 1 1 63 63 ILE N N 15 111.338 . . . . . . . A 63 ILE N . 30613 1 312 . 1 1 64 64 GLU H H 1 7.987 . . . . . . . A 64 GLU H . 30613 1 313 . 1 1 64 64 GLU HA H 1 3.725 . . . . . . . A 64 GLU HA . 30613 1 314 . 1 1 64 64 GLU CA C 13 60.895 . . . . . . . A 64 GLU CA . 30613 1 315 . 1 1 64 64 GLU CB C 13 30.238 . . . . . . . A 64 GLU CB . 30613 1 316 . 1 1 64 64 GLU N N 15 121.049 . . . . . . . A 64 GLU N . 30613 1 317 . 1 1 65 65 HIS H H 1 7.513 . . . . . . . A 65 HIS H . 30613 1 318 . 1 1 65 65 HIS HA H 1 4.438 . . . . . . . A 65 HIS HA . 30613 1 319 . 1 1 65 65 HIS CA C 13 59.022 . . . . . . . A 65 HIS CA . 30613 1 320 . 1 1 65 65 HIS CB C 13 28.587 . . . . . . . A 65 HIS CB . 30613 1 321 . 1 1 65 65 HIS N N 15 117.657 . . . . . . . A 65 HIS N . 30613 1 322 . 1 1 66 66 ILE H H 1 7.924 . . . . . . . A 66 ILE H . 30613 1 323 . 1 1 66 66 ILE HA H 1 3.427 . . . . . . . A 66 ILE HA . 30613 1 324 . 1 1 66 66 ILE CA C 13 61.738 . . . . . . . A 66 ILE CA . 30613 1 325 . 1 1 66 66 ILE CB C 13 35.086 . . . . . . . A 66 ILE CB . 30613 1 326 . 1 1 66 66 ILE N N 15 118.281 . . . . . . . A 66 ILE N . 30613 1 327 . 1 1 67 67 PHE H H 1 8.737 . . . . . . . A 67 PHE H . 30613 1 328 . 1 1 67 67 PHE HA H 1 4.466 . . . . . . . A 67 PHE HA . 30613 1 329 . 1 1 67 67 PHE CA C 13 57.682 . . . . . . . A 67 PHE CA . 30613 1 330 . 1 1 67 67 PHE CB C 13 36.678 . . . . . . . A 67 PHE CB . 30613 1 331 . 1 1 67 67 PHE N N 15 121.084 . . . . . . . A 67 PHE N . 30613 1 332 . 1 1 68 68 GLU H H 1 8.228 . . . . . . . A 68 GLU H . 30613 1 333 . 1 1 68 68 GLU HA H 1 4.086 . . . . . . . A 68 GLU HA . 30613 1 334 . 1 1 68 68 GLU CA C 13 60.100 . . . . . . . A 68 GLU CA . 30613 1 335 . 1 1 68 68 GLU CB C 13 29.735 . . . . . . . A 68 GLU CB . 30613 1 336 . 1 1 68 68 GLU N N 15 120.739 . . . . . . . A 68 GLU N . 30613 1 337 . 1 1 69 69 ILE H H 1 8.393 . . . . . . . A 69 ILE H . 30613 1 338 . 1 1 69 69 ILE HA H 1 4.040 . . . . . . . A 69 ILE HA . 30613 1 339 . 1 1 69 69 ILE CA C 13 64.231 . . . . . . . A 69 ILE CA . 30613 1 340 . 1 1 69 69 ILE CB C 13 37.627 . . . . . . . A 69 ILE CB . 30613 1 341 . 1 1 69 69 ILE N N 15 117.535 . . . . . . . A 69 ILE N . 30613 1 342 . 1 1 70 70 SER H H 1 7.857 . . . . . . . A 70 SER H . 30613 1 343 . 1 1 70 70 SER HA H 1 4.419 . . . . . . . A 70 SER HA . 30613 1 344 . 1 1 70 70 SER CA C 13 58.502 . . . . . . . A 70 SER CA . 30613 1 345 . 1 1 70 70 SER CB C 13 63.029 . . . . . . . A 70 SER CB . 30613 1 346 . 1 1 70 70 SER N N 15 115.058 . . . . . . . A 70 SER N . 30613 1 347 . 1 1 71 71 ARG H H 1 7.753 . . . . . . . A 71 ARG H . 30613 1 348 . 1 1 71 71 ARG HA H 1 3.902 . . . . . . . A 71 ARG HA . 30613 1 349 . 1 1 71 71 ARG CA C 13 56.452 . . . . . . . A 71 ARG CA . 30613 1 350 . 1 1 71 71 ARG CB C 13 26.350 . . . . . . . A 71 ARG CB . 30613 1 351 . 1 1 71 71 ARG N N 15 115.621 . . . . . . . A 71 ARG N . 30613 1 352 . 1 1 72 72 ARG H H 1 8.006 . . . . . . . A 72 ARG H . 30613 1 353 . 1 1 72 72 ARG HA H 1 5.074 . . . . . . . A 72 ARG HA . 30613 1 354 . 1 1 72 72 ARG CA C 13 49.613 . . . . . . . A 72 ARG CA . 30613 1 355 . 1 1 72 72 ARG CB C 13 28.562 . . . . . . . A 72 ARG CB . 30613 1 356 . 1 1 72 72 ARG N N 15 115.226 . . . . . . . A 72 ARG N . 30613 1 357 . 1 1 73 73 PRO HA H 1 4.337 . . . . . . . A 73 PRO HA . 30613 1 358 . 1 1 73 73 PRO CA C 13 64.698 . . . . . . . A 73 PRO CA . 30613 1 359 . 1 1 73 73 PRO CB C 13 31.329 . . . . . . . A 73 PRO CB . 30613 1 360 . 1 1 74 74 ASP H H 1 9.152 . . . . . . . A 74 ASP H . 30613 1 361 . 1 1 74 74 ASP HA H 1 4.180 . . . . . . . A 74 ASP HA . 30613 1 362 . 1 1 74 74 ASP CA C 13 55.990 . . . . . . . A 74 ASP CA . 30613 1 363 . 1 1 74 74 ASP CB C 13 38.035 . . . . . . . A 74 ASP CB . 30613 1 364 . 1 1 74 74 ASP N N 15 118.600 . . . . . . . A 74 ASP N . 30613 1 365 . 1 1 75 75 LEU H H 1 7.044 . . . . . . . A 75 LEU H . 30613 1 366 . 1 1 75 75 LEU HA H 1 3.907 . . . . . . . A 75 LEU HA . 30613 1 367 . 1 1 75 75 LEU CA C 13 56.362 . . . . . . . A 75 LEU CA . 30613 1 368 . 1 1 75 75 LEU CB C 13 38.639 . . . . . . . A 75 LEU CB . 30613 1 369 . 1 1 75 75 LEU N N 15 120.762 . . . . . . . A 75 LEU N . 30613 1 370 . 1 1 76 76 LEU H H 1 7.850 . . . . . . . A 76 LEU H . 30613 1 371 . 1 1 76 76 LEU HA H 1 4.118 . . . . . . . A 76 LEU HA . 30613 1 372 . 1 1 76 76 LEU CA C 13 58.853 . . . . . . . A 76 LEU CA . 30613 1 373 . 1 1 76 76 LEU CB C 13 42.606 . . . . . . . A 76 LEU CB . 30613 1 374 . 1 1 76 76 LEU N N 15 118.917 . . . . . . . A 76 LEU N . 30613 1 375 . 1 1 77 77 THR H H 1 8.287 . . . . . . . A 77 THR H . 30613 1 376 . 1 1 77 77 THR HA H 1 3.830 . . . . . . . A 77 THR HA . 30613 1 377 . 1 1 77 77 THR CA C 13 66.882 . . . . . . . A 77 THR CA . 30613 1 378 . 1 1 77 77 THR CB C 13 68.991 . . . . . . . A 77 THR CB . 30613 1 379 . 1 1 77 77 THR N N 15 114.574 . . . . . . . A 77 THR N . 30613 1 380 . 1 1 78 78 MET H H 1 7.032 . . . . . . . A 78 MET H . 30613 1 381 . 1 1 78 78 MET HA H 1 4.155 . . . . . . . A 78 MET HA . 30613 1 382 . 1 1 78 78 MET CA C 13 59.838 . . . . . . . A 78 MET CA . 30613 1 383 . 1 1 78 78 MET CB C 13 32.697 . . . . . . . A 78 MET CB . 30613 1 384 . 1 1 78 78 MET N N 15 118.873 . . . . . . . A 78 MET N . 30613 1 385 . 1 1 79 79 VAL H H 1 7.633 . . . . . . . A 79 VAL H . 30613 1 386 . 1 1 79 79 VAL HA H 1 3.721 . . . . . . . A 79 VAL HA . 30613 1 387 . 1 1 79 79 VAL CA C 13 66.981 . . . . . . . A 79 VAL CA . 30613 1 388 . 1 1 79 79 VAL CB C 13 32.032 . . . . . . . A 79 VAL CB . 30613 1 389 . 1 1 79 79 VAL N N 15 120.046 . . . . . . . A 79 VAL N . 30613 1 390 . 1 1 80 80 VAL H H 1 8.601 . . . . . . . A 80 VAL H . 30613 1 391 . 1 1 80 80 VAL HA H 1 3.541 . . . . . . . A 80 VAL HA . 30613 1 392 . 1 1 80 80 VAL CA C 13 67.105 . . . . . . . A 80 VAL CA . 30613 1 393 . 1 1 80 80 VAL CB C 13 31.847 . . . . . . . A 80 VAL CB . 30613 1 394 . 1 1 80 80 VAL N N 15 121.510 . . . . . . . A 80 VAL N . 30613 1 395 . 1 1 81 81 ASP H H 1 8.677 . . . . . . . A 81 ASP H . 30613 1 396 . 1 1 81 81 ASP HA H 1 4.353 . . . . . . . A 81 ASP HA . 30613 1 397 . 1 1 81 81 ASP CA C 13 57.676 . . . . . . . A 81 ASP CA . 30613 1 398 . 1 1 81 81 ASP CB C 13 40.571 . . . . . . . A 81 ASP CB . 30613 1 399 . 1 1 81 81 ASP N N 15 121.760 . . . . . . . A 81 ASP N . 30613 1 400 . 1 1 82 82 TYR H H 1 7.608 . . . . . . . A 82 TYR H . 30613 1 401 . 1 1 82 82 TYR HA H 1 4.187 . . . . . . . A 82 TYR HA . 30613 1 402 . 1 1 82 82 TYR CA C 13 61.503 . . . . . . . A 82 TYR CA . 30613 1 403 . 1 1 82 82 TYR CB C 13 38.623 . . . . . . . A 82 TYR CB . 30613 1 404 . 1 1 82 82 TYR N N 15 121.025 . . . . . . . A 82 TYR N . 30613 1 405 . 1 1 83 83 ARG H H 1 8.596 . . . . . . . A 83 ARG H . 30613 1 406 . 1 1 83 83 ARG HA H 1 3.671 . . . . . . . A 83 ARG HA . 30613 1 407 . 1 1 83 83 ARG CA C 13 59.877 . . . . . . . A 83 ARG CA . 30613 1 408 . 1 1 83 83 ARG CB C 13 30.378 . . . . . . . A 83 ARG CB . 30613 1 409 . 1 1 83 83 ARG N N 15 119.379 . . . . . . . A 83 ARG N . 30613 1 410 . 1 1 84 84 THR H H 1 8.305 . . . . . . . A 84 THR H . 30613 1 411 . 1 1 84 84 THR HA H 1 3.946 . . . . . . . A 84 THR HA . 30613 1 412 . 1 1 84 84 THR CA C 13 65.316 . . . . . . . A 84 THR CA . 30613 1 413 . 1 1 84 84 THR CB C 13 69.273 . . . . . . . A 84 THR CB . 30613 1 414 . 1 1 84 84 THR N N 15 113.330 . . . . . . . A 84 THR N . 30613 1 415 . 1 1 85 85 ARG H H 1 7.949 . . . . . . . A 85 ARG H . 30613 1 416 . 1 1 85 85 ARG HA H 1 4.057 . . . . . . . A 85 ARG HA . 30613 1 417 . 1 1 85 85 ARG CA C 13 58.905 . . . . . . . A 85 ARG CA . 30613 1 418 . 1 1 85 85 ARG CB C 13 30.805 . . . . . . . A 85 ARG CB . 30613 1 419 . 1 1 85 85 ARG N N 15 121.457 . . . . . . . A 85 ARG N . 30613 1 420 . 1 1 86 86 VAL H H 1 7.962 . . . . . . . A 86 VAL H . 30613 1 421 . 1 1 86 86 VAL HA H 1 3.797 . . . . . . . A 86 VAL HA . 30613 1 422 . 1 1 86 86 VAL CA C 13 64.264 . . . . . . . A 86 VAL CA . 30613 1 423 . 1 1 86 86 VAL CB C 13 31.707 . . . . . . . A 86 VAL CB . 30613 1 424 . 1 1 86 86 VAL N N 15 117.232 . . . . . . . A 86 VAL N . 30613 1 425 . 1 1 87 87 LEU H H 1 7.463 . . . . . . . A 87 LEU H . 30613 1 426 . 1 1 87 87 LEU HA H 1 4.158 . . . . . . . A 87 LEU HA . 30613 1 427 . 1 1 87 87 LEU CA C 13 56.056 . . . . . . . A 87 LEU CA . 30613 1 428 . 1 1 87 87 LEU CB C 13 41.733 . . . . . . . A 87 LEU CB . 30613 1 429 . 1 1 87 87 LEU N N 15 120.870 . . . . . . . A 87 LEU N . 30613 1 430 . 1 1 88 88 LYS H H 1 7.602 . . . . . . . A 88 LYS H . 30613 1 431 . 1 1 88 88 LYS HA H 1 4.168 . . . . . . . A 88 LYS HA . 30613 1 432 . 1 1 88 88 LYS CA C 13 56.689 . . . . . . . A 88 LYS CA . 30613 1 433 . 1 1 88 88 LYS CB C 13 32.122 . . . . . . . A 88 LYS CB . 30613 1 434 . 1 1 88 88 LYS N N 15 118.925 . . . . . . . A 88 LYS N . 30613 1 435 . 1 1 89 89 ILE H H 1 7.882 . . . . . . . A 89 ILE H . 30613 1 436 . 1 1 89 89 ILE HA H 1 4.049 . . . . . . . A 89 ILE HA . 30613 1 437 . 1 1 89 89 ILE CA C 13 61.867 . . . . . . . A 89 ILE CA . 30613 1 438 . 1 1 89 89 ILE CB C 13 38.660 . . . . . . . A 89 ILE CB . 30613 1 439 . 1 1 89 89 ILE N N 15 120.845 . . . . . . . A 89 ILE N . 30613 1 440 . 1 1 90 90 SER H H 1 8.288 . . . . . . . A 90 SER H . 30613 1 441 . 1 1 90 90 SER HA H 1 4.417 . . . . . . . A 90 SER HA . 30613 1 442 . 1 1 90 90 SER CA C 13 58.575 . . . . . . . A 90 SER CA . 30613 1 443 . 1 1 90 90 SER CB C 13 63.895 . . . . . . . A 90 SER CB . 30613 1 444 . 1 1 90 90 SER N N 15 119.210 . . . . . . . A 90 SER N . 30613 1 stop_ save_