data_10338 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10338 _Entry.Title ; Solution Structure of the First UBA Domain in the Human Ubiquitin Specific Protease 5 (Isopeptidase 5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-13 _Entry.Accession_date 2011-01-13 _Entry.Last_release_date 2011-01-13 _Entry.Original_release_date 2011-01-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.0.46 _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_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 C. Zhao . . . . 10338 2 T. Kigawa . . . . 10338 3 T. Tomizawa . . . . 10338 4 S. Koshiba . . . . 10338 5 M. Inoue . . . . 10338 6 S. Yokoyama . . . . 10338 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 10338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 10338 '15N chemical shifts' 53 10338 '1H chemical shifts' 368 10338 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 . . 2019-09-04 . original BMRB . 10338 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10338 _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 ; Solution Structure of the First UBA Domain in the Human Ubiquitin Specific Protease 5 (Isopeptidase 5) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . . 10338 1 2 T. Kigawa . . . . 10338 1 3 T. Tomizawa . . . . 10338 1 4 S. Koshiba . . . . 10338 1 5 M. Inoue . . . . 10338 1 6 S. Yokoyama . . . . 10338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10338 _Assembly.ID 1 _Assembly.Name 'Ubiquitin carboxyl-terminal hydrolase 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 E.C.3.1.2.15 _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 'UBA domain' 1 $entity_1 . . yes native no no . . . 10338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10338 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA domain' _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 ; GLDESVIIQLVEMGFPMDAC RKAVYYTGNSGAEAAMNWVM SHMDDPDFANPLIL ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA domain' na 10338 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10338 1 2 . LEU . 10338 1 3 . ASP . 10338 1 4 . GLU . 10338 1 5 . SER . 10338 1 6 . VAL . 10338 1 7 . ILE . 10338 1 8 . ILE . 10338 1 9 . GLN . 10338 1 10 . LEU . 10338 1 11 . VAL . 10338 1 12 . GLU . 10338 1 13 . MET . 10338 1 14 . GLY . 10338 1 15 . PHE . 10338 1 16 . PRO . 10338 1 17 . MET . 10338 1 18 . ASP . 10338 1 19 . ALA . 10338 1 20 . CYS . 10338 1 21 . ARG . 10338 1 22 . LYS . 10338 1 23 . ALA . 10338 1 24 . VAL . 10338 1 25 . TYR . 10338 1 26 . TYR . 10338 1 27 . THR . 10338 1 28 . GLY . 10338 1 29 . ASN . 10338 1 30 . SER . 10338 1 31 . GLY . 10338 1 32 . ALA . 10338 1 33 . GLU . 10338 1 34 . ALA . 10338 1 35 . ALA . 10338 1 36 . MET . 10338 1 37 . ASN . 10338 1 38 . TRP . 10338 1 39 . VAL . 10338 1 40 . MET . 10338 1 41 . SER . 10338 1 42 . HIS . 10338 1 43 . MET . 10338 1 44 . ASP . 10338 1 45 . ASP . 10338 1 46 . PRO . 10338 1 47 . ASP . 10338 1 48 . PHE . 10338 1 49 . ALA . 10338 1 50 . ASN . 10338 1 51 . PRO . 10338 1 52 . LEU . 10338 1 53 . ILE . 10338 1 54 . LEU . 10338 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10338 1 . LEU 2 2 10338 1 . ASP 3 3 10338 1 . GLU 4 4 10338 1 . SER 5 5 10338 1 . VAL 6 6 10338 1 . ILE 7 7 10338 1 . ILE 8 8 10338 1 . GLN 9 9 10338 1 . LEU 10 10 10338 1 . VAL 11 11 10338 1 . GLU 12 12 10338 1 . MET 13 13 10338 1 . GLY 14 14 10338 1 . PHE 15 15 10338 1 . PRO 16 16 10338 1 . MET 17 17 10338 1 . ASP 18 18 10338 1 . ALA 19 19 10338 1 . CYS 20 20 10338 1 . ARG 21 21 10338 1 . LYS 22 22 10338 1 . ALA 23 23 10338 1 . VAL 24 24 10338 1 . TYR 25 25 10338 1 . TYR 26 26 10338 1 . THR 27 27 10338 1 . GLY 28 28 10338 1 . ASN 29 29 10338 1 . SER 30 30 10338 1 . GLY 31 31 10338 1 . ALA 32 32 10338 1 . GLU 33 33 10338 1 . ALA 34 34 10338 1 . ALA 35 35 10338 1 . MET 36 36 10338 1 . ASN 37 37 10338 1 . TRP 38 38 10338 1 . VAL 39 39 10338 1 . MET 40 40 10338 1 . SER 41 41 10338 1 . HIS 42 42 10338 1 . MET 43 43 10338 1 . ASP 44 44 10338 1 . ASP 45 45 10338 1 . PRO 46 46 10338 1 . ASP 47 47 10338 1 . PHE 48 48 10338 1 . ALA 49 49 10338 1 . ASN 50 50 10338 1 . PRO 51 51 10338 1 . LEU 52 52 10338 1 . ILE 53 53 10338 1 . LEU 54 54 10338 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 10338 _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 . . . . . . . . . . . . . 10338 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 10338 _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 . 'cell free synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . plasmid . . P050613-08 . . . 10338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10338 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.05mM UBA domain {U-15N, 13C} 20mM d-Tris-HCl(pH {7.0)} 100mM {NaCl} 1mM {d-DTT} 0.02% {NaN3} 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 'UBA domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.05 . . mM . . . . 10338 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 10338 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 10338 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 10338 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 10338 1 6 H2O . . . . . . solvent 90 . . % . . . . 10338 1 7 D2O . . . . . . solvent 10 . . % . . . . 10338 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10338 _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 'ionic strength' 120 0.1 mM 10338 1 pH 7.0 0.05 pH 10338 1 pressure 1 0.001 atm 10338 1 temperature 296.0 0.1 K 10338 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 10338 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10338 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 10338 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 10338 _Software.ID 2 _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, F.' . . 10338 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 10338 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 10338 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 10338 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 10338 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 10338 _Software.ID 4 _Software.Type . _Software.Name Kujira _Software.Version 0.9843 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10338 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 10338 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 10338 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 1.0.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10338 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 10338 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10338 _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 600 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 10338 _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 spectrometer_1 Bruker AVANCE . 600 . . . 10338 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 10338 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10338 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10338 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10338 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . 10338 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . 10338 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 10338 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10338 _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 $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 10338 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10338 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 $TOPSPIN . . 10338 1 2 $NMRPipe . . 10338 1 3 $NMRView . . 10338 1 4 $Kujira . . 10338 1 5 $CYANA . . 10338 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 2 2 LEU HA H 1 4.228 0.030 . 1 . . . . . 2 LEU HA . 10338 1 2 . 1 1 2 2 LEU HB2 H 1 1.598 0.030 . 2 . . . . . 2 LEU HB2 . 10338 1 3 . 1 1 2 2 LEU HB3 H 1 1.246 0.030 . 2 . . . . . 2 LEU HB3 . 10338 1 4 . 1 1 2 2 LEU HD11 H 1 0.854 0.030 . 1 . . . . . 2 LEU HD1 . 10338 1 5 . 1 1 2 2 LEU HD12 H 1 0.854 0.030 . 1 . . . . . 2 LEU HD1 . 10338 1 6 . 1 1 2 2 LEU HD13 H 1 0.854 0.030 . 1 . . . . . 2 LEU HD1 . 10338 1 7 . 1 1 2 2 LEU HD21 H 1 0.807 0.030 . 1 . . . . . 2 LEU HD2 . 10338 1 8 . 1 1 2 2 LEU HD22 H 1 0.807 0.030 . 1 . . . . . 2 LEU HD2 . 10338 1 9 . 1 1 2 2 LEU HD23 H 1 0.807 0.030 . 1 . . . . . 2 LEU HD2 . 10338 1 10 . 1 1 2 2 LEU HG H 1 1.664 0.030 . 1 . . . . . 2 LEU HG . 10338 1 11 . 1 1 2 2 LEU C C 13 177.093 0.300 . 1 . . . . . 2 LEU C . 10338 1 12 . 1 1 2 2 LEU CA C 13 54.415 0.300 . 1 . . . . . 2 LEU CA . 10338 1 13 . 1 1 2 2 LEU CB C 13 43.056 0.300 . 1 . . . . . 2 LEU CB . 10338 1 14 . 1 1 2 2 LEU CD1 C 13 25.705 0.300 . 2 . . . . . 2 LEU CD1 . 10338 1 15 . 1 1 2 2 LEU CD2 C 13 23.119 0.300 . 2 . . . . . 2 LEU CD2 . 10338 1 16 . 1 1 2 2 LEU CG C 13 26.679 0.300 . 1 . . . . . 2 LEU CG . 10338 1 17 . 1 1 3 3 ASP H H 1 8.267 0.030 . 1 . . . . . 3 ASP H . 10338 1 18 . 1 1 3 3 ASP HA H 1 4.520 0.030 . 1 . . . . . 3 ASP HA . 10338 1 19 . 1 1 3 3 ASP HB2 H 1 2.876 0.030 . 2 . . . . . 3 ASP HB2 . 10338 1 20 . 1 1 3 3 ASP HB3 H 1 2.612 0.030 . 2 . . . . . 3 ASP HB3 . 10338 1 21 . 1 1 3 3 ASP C C 13 176.524 0.300 . 1 . . . . . 3 ASP C . 10338 1 22 . 1 1 3 3 ASP CA C 13 54.497 0.300 . 1 . . . . . 3 ASP CA . 10338 1 23 . 1 1 3 3 ASP CB C 13 40.404 0.300 . 1 . . . . . 3 ASP CB . 10338 1 24 . 1 1 3 3 ASP N N 15 121.195 0.300 . 1 . . . . . 3 ASP N . 10338 1 25 . 1 1 4 4 GLU H H 1 8.653 0.030 . 1 . . . . . 4 GLU H . 10338 1 26 . 1 1 4 4 GLU HA H 1 4.001 0.030 . 1 . . . . . 4 GLU HA . 10338 1 27 . 1 1 4 4 GLU HB2 H 1 2.148 0.030 . 2 . . . . . 4 GLU HB2 . 10338 1 28 . 1 1 4 4 GLU HB3 H 1 1.980 0.030 . 2 . . . . . 4 GLU HB3 . 10338 1 29 . 1 1 4 4 GLU HG2 H 1 2.404 0.030 . 2 . . . . . 4 GLU HG2 . 10338 1 30 . 1 1 4 4 GLU HG3 H 1 2.335 0.030 . 2 . . . . . 4 GLU HG3 . 10338 1 31 . 1 1 4 4 GLU C C 13 178.062 0.300 . 1 . . . . . 4 GLU C . 10338 1 32 . 1 1 4 4 GLU CA C 13 58.519 0.300 . 1 . . . . . 4 GLU CA . 10338 1 33 . 1 1 4 4 GLU CB C 13 29.526 0.300 . 1 . . . . . 4 GLU CB . 10338 1 34 . 1 1 4 4 GLU CG C 13 35.835 0.300 . 1 . . . . . 4 GLU CG . 10338 1 35 . 1 1 4 4 GLU N N 15 127.337 0.300 . 1 . . . . . 4 GLU N . 10338 1 36 . 1 1 5 5 SER H H 1 8.435 0.030 . 1 . . . . . 5 SER H . 10338 1 37 . 1 1 5 5 SER HA H 1 4.193 0.030 . 1 . . . . . 5 SER HA . 10338 1 38 . 1 1 5 5 SER HB2 H 1 3.974 0.030 . 1 . . . . . 5 SER HB2 . 10338 1 39 . 1 1 5 5 SER HB3 H 1 3.974 0.030 . 1 . . . . . 5 SER HB3 . 10338 1 40 . 1 1 5 5 SER C C 13 177.022 0.300 . 1 . . . . . 5 SER C . 10338 1 41 . 1 1 5 5 SER CA C 13 61.621 0.300 . 1 . . . . . 5 SER CA . 10338 1 42 . 1 1 5 5 SER CB C 13 62.499 0.300 . 1 . . . . . 5 SER CB . 10338 1 43 . 1 1 5 5 SER N N 15 115.029 0.300 . 1 . . . . . 5 SER N . 10338 1 44 . 1 1 6 6 VAL H H 1 7.476 0.030 . 1 . . . . . 6 VAL H . 10338 1 45 . 1 1 6 6 VAL HA H 1 3.730 0.030 . 1 . . . . . 6 VAL HA . 10338 1 46 . 1 1 6 6 VAL HB H 1 2.091 0.030 . 1 . . . . . 6 VAL HB . 10338 1 47 . 1 1 6 6 VAL HG11 H 1 0.984 0.030 . 1 . . . . . 6 VAL HG1 . 10338 1 48 . 1 1 6 6 VAL HG12 H 1 0.984 0.030 . 1 . . . . . 6 VAL HG1 . 10338 1 49 . 1 1 6 6 VAL HG13 H 1 0.984 0.030 . 1 . . . . . 6 VAL HG1 . 10338 1 50 . 1 1 6 6 VAL HG21 H 1 0.722 0.030 . 1 . . . . . 6 VAL HG2 . 10338 1 51 . 1 1 6 6 VAL HG22 H 1 0.722 0.030 . 1 . . . . . 6 VAL HG2 . 10338 1 52 . 1 1 6 6 VAL HG23 H 1 0.722 0.030 . 1 . . . . . 6 VAL HG2 . 10338 1 53 . 1 1 6 6 VAL C C 13 177.166 0.300 . 1 . . . . . 6 VAL C . 10338 1 54 . 1 1 6 6 VAL CA C 13 65.902 0.300 . 1 . . . . . 6 VAL CA . 10338 1 55 . 1 1 6 6 VAL CB C 13 31.586 0.300 . 1 . . . . . 6 VAL CB . 10338 1 56 . 1 1 6 6 VAL CG1 C 13 22.938 0.300 . 2 . . . . . 6 VAL CG1 . 10338 1 57 . 1 1 6 6 VAL CG2 C 13 21.814 0.300 . 2 . . . . . 6 VAL CG2 . 10338 1 58 . 1 1 6 6 VAL N N 15 124.672 0.300 . 1 . . . . . 6 VAL N . 10338 1 59 . 1 1 7 7 ILE H H 1 7.378 0.030 . 1 . . . . . 7 ILE H . 10338 1 60 . 1 1 7 7 ILE HA H 1 3.346 0.030 . 1 . . . . . 7 ILE HA . 10338 1 61 . 1 1 7 7 ILE HB H 1 1.957 0.030 . 1 . . . . . 7 ILE HB . 10338 1 62 . 1 1 7 7 ILE HD11 H 1 0.759 0.030 . 1 . . . . . 7 ILE HD1 . 10338 1 63 . 1 1 7 7 ILE HD12 H 1 0.759 0.030 . 1 . . . . . 7 ILE HD1 . 10338 1 64 . 1 1 7 7 ILE HD13 H 1 0.759 0.030 . 1 . . . . . 7 ILE HD1 . 10338 1 65 . 1 1 7 7 ILE HG12 H 1 1.712 0.030 . 2 . . . . . 7 ILE HG12 . 10338 1 66 . 1 1 7 7 ILE HG13 H 1 0.765 0.030 . 2 . . . . . 7 ILE HG13 . 10338 1 67 . 1 1 7 7 ILE HG21 H 1 0.820 0.030 . 1 . . . . . 7 ILE HG2 . 10338 1 68 . 1 1 7 7 ILE HG22 H 1 0.820 0.030 . 1 . . . . . 7 ILE HG2 . 10338 1 69 . 1 1 7 7 ILE HG23 H 1 0.820 0.030 . 1 . . . . . 7 ILE HG2 . 10338 1 70 . 1 1 7 7 ILE C C 13 177.470 0.300 . 1 . . . . . 7 ILE C . 10338 1 71 . 1 1 7 7 ILE CA C 13 66.448 0.300 . 1 . . . . . 7 ILE CA . 10338 1 72 . 1 1 7 7 ILE CB C 13 37.704 0.300 . 1 . . . . . 7 ILE CB . 10338 1 73 . 1 1 7 7 ILE CD1 C 13 13.867 0.300 . 1 . . . . . 7 ILE CD1 . 10338 1 74 . 1 1 7 7 ILE CG1 C 13 29.897 0.300 . 1 . . . . . 7 ILE CG1 . 10338 1 75 . 1 1 7 7 ILE CG2 C 13 17.740 0.300 . 1 . . . . . 7 ILE CG2 . 10338 1 76 . 1 1 7 7 ILE N N 15 119.176 0.300 . 1 . . . . . 7 ILE N . 10338 1 77 . 1 1 8 8 ILE H H 1 8.038 0.030 . 1 . . . . . 8 ILE H . 10338 1 78 . 1 1 8 8 ILE HA H 1 3.732 0.030 . 1 . . . . . 8 ILE HA . 10338 1 79 . 1 1 8 8 ILE HB H 1 1.898 0.030 . 1 . . . . . 8 ILE HB . 10338 1 80 . 1 1 8 8 ILE HD11 H 1 0.832 0.030 . 1 . . . . . 8 ILE HD1 . 10338 1 81 . 1 1 8 8 ILE HD12 H 1 0.832 0.030 . 1 . . . . . 8 ILE HD1 . 10338 1 82 . 1 1 8 8 ILE HD13 H 1 0.832 0.030 . 1 . . . . . 8 ILE HD1 . 10338 1 83 . 1 1 8 8 ILE HG12 H 1 1.633 0.030 . 2 . . . . . 8 ILE HG12 . 10338 1 84 . 1 1 8 8 ILE HG13 H 1 1.318 0.030 . 2 . . . . . 8 ILE HG13 . 10338 1 85 . 1 1 8 8 ILE HG21 H 1 0.935 0.030 . 1 . . . . . 8 ILE HG2 . 10338 1 86 . 1 1 8 8 ILE HG22 H 1 0.935 0.030 . 1 . . . . . 8 ILE HG2 . 10338 1 87 . 1 1 8 8 ILE HG23 H 1 0.935 0.030 . 1 . . . . . 8 ILE HG2 . 10338 1 88 . 1 1 8 8 ILE C C 13 177.660 0.300 . 1 . . . . . 8 ILE C . 10338 1 89 . 1 1 8 8 ILE CA C 13 64.140 0.300 . 1 . . . . . 8 ILE CA . 10338 1 90 . 1 1 8 8 ILE CB C 13 37.618 0.300 . 1 . . . . . 8 ILE CB . 10338 1 91 . 1 1 8 8 ILE CD1 C 13 12.462 0.300 . 1 . . . . . 8 ILE CD1 . 10338 1 92 . 1 1 8 8 ILE CG1 C 13 29.196 0.300 . 1 . . . . . 8 ILE CG1 . 10338 1 93 . 1 1 8 8 ILE CG2 C 13 17.493 0.300 . 1 . . . . . 8 ILE CG2 . 10338 1 94 . 1 1 8 8 ILE N N 15 117.166 0.300 . 1 . . . . . 8 ILE N . 10338 1 95 . 1 1 9 9 GLN H H 1 7.545 0.030 . 1 . . . . . 9 GLN H . 10338 1 96 . 1 1 9 9 GLN HA H 1 4.073 0.030 . 1 . . . . . 9 GLN HA . 10338 1 97 . 1 1 9 9 GLN HB2 H 1 2.288 0.030 . 2 . . . . . 9 GLN HB2 . 10338 1 98 . 1 1 9 9 GLN HB3 H 1 2.165 0.030 . 2 . . . . . 9 GLN HB3 . 10338 1 99 . 1 1 9 9 GLN HE21 H 1 6.743 0.030 . 2 . . . . . 9 GLN HE21 . 10338 1 100 . 1 1 9 9 GLN HE22 H 1 7.268 0.030 . 2 . . . . . 9 GLN HE22 . 10338 1 101 . 1 1 9 9 GLN HG2 H 1 2.574 0.030 . 2 . . . . . 9 GLN HG2 . 10338 1 102 . 1 1 9 9 GLN HG3 H 1 2.308 0.030 . 2 . . . . . 9 GLN HG3 . 10338 1 103 . 1 1 9 9 GLN C C 13 178.929 0.300 . 1 . . . . . 9 GLN C . 10338 1 104 . 1 1 9 9 GLN CA C 13 59.195 0.300 . 1 . . . . . 9 GLN CA . 10338 1 105 . 1 1 9 9 GLN CB C 13 28.537 0.300 . 1 . . . . . 9 GLN CB . 10338 1 106 . 1 1 9 9 GLN CG C 13 34.223 0.300 . 1 . . . . . 9 GLN CG . 10338 1 107 . 1 1 9 9 GLN N N 15 119.754 0.300 . 1 . . . . . 9 GLN N . 10338 1 108 . 1 1 9 9 GLN NE2 N 15 110.287 0.300 . 1 . . . . . 9 GLN NE2 . 10338 1 109 . 1 1 10 10 LEU H H 1 7.858 0.030 . 1 . . . . . 10 LEU H . 10338 1 110 . 1 1 10 10 LEU HA H 1 4.362 0.030 . 1 . . . . . 10 LEU HA . 10338 1 111 . 1 1 10 10 LEU HB2 H 1 1.988 0.030 . 1 . . . . . 10 LEU HB2 . 10338 1 112 . 1 1 10 10 LEU HB3 H 1 1.988 0.030 . 1 . . . . . 10 LEU HB3 . 10338 1 113 . 1 1 10 10 LEU HD11 H 1 0.808 0.030 . 1 . . . . . 10 LEU HD1 . 10338 1 114 . 1 1 10 10 LEU HD12 H 1 0.808 0.030 . 1 . . . . . 10 LEU HD1 . 10338 1 115 . 1 1 10 10 LEU HD13 H 1 0.808 0.030 . 1 . . . . . 10 LEU HD1 . 10338 1 116 . 1 1 10 10 LEU HD21 H 1 0.874 0.030 . 1 . . . . . 10 LEU HD2 . 10338 1 117 . 1 1 10 10 LEU HD22 H 1 0.874 0.030 . 1 . . . . . 10 LEU HD2 . 10338 1 118 . 1 1 10 10 LEU HD23 H 1 0.874 0.030 . 1 . . . . . 10 LEU HD2 . 10338 1 119 . 1 1 10 10 LEU HG H 1 1.985 0.030 . 1 . . . . . 10 LEU HG . 10338 1 120 . 1 1 10 10 LEU C C 13 179.477 0.300 . 1 . . . . . 10 LEU C . 10338 1 121 . 1 1 10 10 LEU CA C 13 58.289 0.300 . 1 . . . . . 10 LEU CA . 10338 1 122 . 1 1 10 10 LEU CB C 13 42.671 0.300 . 1 . . . . . 10 LEU CB . 10338 1 123 . 1 1 10 10 LEU CD1 C 13 26.394 0.300 . 2 . . . . . 10 LEU CD1 . 10338 1 124 . 1 1 10 10 LEU CD2 C 13 23.592 0.300 . 2 . . . . . 10 LEU CD2 . 10338 1 125 . 1 1 10 10 LEU CG C 13 27.877 0.300 . 1 . . . . . 10 LEU CG . 10338 1 126 . 1 1 10 10 LEU N N 15 119.776 0.300 . 1 . . . . . 10 LEU N . 10338 1 127 . 1 1 11 11 VAL H H 1 8.677 0.030 . 1 . . . . . 11 VAL H . 10338 1 128 . 1 1 11 11 VAL HA H 1 4.264 0.030 . 1 . . . . . 11 VAL HA . 10338 1 129 . 1 1 11 11 VAL HB H 1 2.321 0.030 . 1 . . . . . 11 VAL HB . 10338 1 130 . 1 1 11 11 VAL HG11 H 1 1.177 0.030 . 1 . . . . . 11 VAL HG1 . 10338 1 131 . 1 1 11 11 VAL HG12 H 1 1.177 0.030 . 1 . . . . . 11 VAL HG1 . 10338 1 132 . 1 1 11 11 VAL HG13 H 1 1.177 0.030 . 1 . . . . . 11 VAL HG1 . 10338 1 133 . 1 1 11 11 VAL HG21 H 1 1.038 0.030 . 1 . . . . . 11 VAL HG2 . 10338 1 134 . 1 1 11 11 VAL HG22 H 1 1.038 0.030 . 1 . . . . . 11 VAL HG2 . 10338 1 135 . 1 1 11 11 VAL HG23 H 1 1.038 0.030 . 1 . . . . . 11 VAL HG2 . 10338 1 136 . 1 1 11 11 VAL C C 13 182.182 0.300 . 1 . . . . . 11 VAL C . 10338 1 137 . 1 1 11 11 VAL CA C 13 65.551 0.300 . 1 . . . . . 11 VAL CA . 10338 1 138 . 1 1 11 11 VAL CB C 13 31.897 0.300 . 1 . . . . . 11 VAL CB . 10338 1 139 . 1 1 11 11 VAL CG1 C 13 24.432 0.300 . 2 . . . . . 11 VAL CG1 . 10338 1 140 . 1 1 11 11 VAL CG2 C 13 21.347 0.300 . 2 . . . . . 11 VAL CG2 . 10338 1 141 . 1 1 11 11 VAL N N 15 124.314 0.300 . 1 . . . . . 11 VAL N . 10338 1 142 . 1 1 12 12 GLU H H 1 8.477 0.030 . 1 . . . . . 12 GLU H . 10338 1 143 . 1 1 12 12 GLU HA H 1 4.070 0.030 . 1 . . . . . 12 GLU HA . 10338 1 144 . 1 1 12 12 GLU HB2 H 1 2.119 0.030 . 2 . . . . . 12 GLU HB2 . 10338 1 145 . 1 1 12 12 GLU HB3 H 1 2.151 0.030 . 2 . . . . . 12 GLU HB3 . 10338 1 146 . 1 1 12 12 GLU HG2 H 1 2.553 0.030 . 2 . . . . . 12 GLU HG2 . 10338 1 147 . 1 1 12 12 GLU HG3 H 1 2.294 0.030 . 2 . . . . . 12 GLU HG3 . 10338 1 148 . 1 1 12 12 GLU C C 13 178.260 0.300 . 1 . . . . . 12 GLU C . 10338 1 149 . 1 1 12 12 GLU CA C 13 58.865 0.300 . 1 . . . . . 12 GLU CA . 10338 1 150 . 1 1 12 12 GLU CB C 13 29.031 0.300 . 1 . . . . . 12 GLU CB . 10338 1 151 . 1 1 12 12 GLU CG C 13 37.008 0.300 . 1 . . . . . 12 GLU CG . 10338 1 152 . 1 1 12 12 GLU N N 15 121.626 0.300 . 1 . . . . . 12 GLU N . 10338 1 153 . 1 1 13 13 MET H H 1 7.557 0.030 . 1 . . . . . 13 MET H . 10338 1 154 . 1 1 13 13 MET HA H 1 4.291 0.030 . 1 . . . . . 13 MET HA . 10338 1 155 . 1 1 13 13 MET HB2 H 1 2.248 0.030 . 2 . . . . . 13 MET HB2 . 10338 1 156 . 1 1 13 13 MET HB3 H 1 2.461 0.030 . 2 . . . . . 13 MET HB3 . 10338 1 157 . 1 1 13 13 MET HE1 H 1 2.219 0.030 . 1 . . . . . 13 MET HE . 10338 1 158 . 1 1 13 13 MET HE2 H 1 2.219 0.030 . 1 . . . . . 13 MET HE . 10338 1 159 . 1 1 13 13 MET HE3 H 1 2.219 0.030 . 1 . . . . . 13 MET HE . 10338 1 160 . 1 1 13 13 MET HG2 H 1 2.674 0.030 . 2 . . . . . 13 MET HG2 . 10338 1 161 . 1 1 13 13 MET HG3 H 1 3.029 0.030 . 2 . . . . . 13 MET HG3 . 10338 1 162 . 1 1 13 13 MET C C 13 176.216 0.300 . 1 . . . . . 13 MET C . 10338 1 163 . 1 1 13 13 MET CA C 13 56.723 0.300 . 1 . . . . . 13 MET CA . 10338 1 164 . 1 1 13 13 MET CB C 13 33.399 0.300 . 1 . . . . . 13 MET CB . 10338 1 165 . 1 1 13 13 MET CE C 13 17.492 0.300 . 1 . . . . . 13 MET CE . 10338 1 166 . 1 1 13 13 MET CG C 13 32.815 0.300 . 1 . . . . . 13 MET CG . 10338 1 167 . 1 1 13 13 MET N N 15 117.023 0.300 . 1 . . . . . 13 MET N . 10338 1 168 . 1 1 14 14 GLY H H 1 8.060 0.030 . 1 . . . . . 14 GLY H . 10338 1 169 . 1 1 14 14 GLY HA2 H 1 4.115 0.030 . 2 . . . . . 14 GLY HA2 . 10338 1 170 . 1 1 14 14 GLY HA3 H 1 3.604 0.030 . 2 . . . . . 14 GLY HA3 . 10338 1 171 . 1 1 14 14 GLY C C 13 174.156 0.300 . 1 . . . . . 14 GLY C . 10338 1 172 . 1 1 14 14 GLY CA C 13 44.772 0.300 . 1 . . . . . 14 GLY CA . 10338 1 173 . 1 1 14 14 GLY N N 15 105.504 0.300 . 1 . . . . . 14 GLY N . 10338 1 174 . 1 1 15 15 PHE H H 1 7.081 0.030 . 1 . . . . . 15 PHE H . 10338 1 175 . 1 1 15 15 PHE HA H 1 5.001 0.030 . 1 . . . . . 15 PHE HA . 10338 1 176 . 1 1 15 15 PHE HB2 H 1 2.931 0.030 . 2 . . . . . 15 PHE HB2 . 10338 1 177 . 1 1 15 15 PHE HB3 H 1 2.673 0.030 . 2 . . . . . 15 PHE HB3 . 10338 1 178 . 1 1 15 15 PHE HD1 H 1 7.479 0.030 . 1 . . . . . 15 PHE HD1 . 10338 1 179 . 1 1 15 15 PHE HD2 H 1 7.479 0.030 . 1 . . . . . 15 PHE HD2 . 10338 1 180 . 1 1 15 15 PHE HE1 H 1 7.384 0.030 . 1 . . . . . 15 PHE HE1 . 10338 1 181 . 1 1 15 15 PHE HE2 H 1 7.384 0.030 . 1 . . . . . 15 PHE HE2 . 10338 1 182 . 1 1 15 15 PHE HZ H 1 7.306 0.030 . 1 . . . . . 15 PHE HZ . 10338 1 183 . 1 1 15 15 PHE C C 13 173.239 0.300 . 1 . . . . . 15 PHE C . 10338 1 184 . 1 1 15 15 PHE CA C 13 56.251 0.300 . 1 . . . . . 15 PHE CA . 10338 1 185 . 1 1 15 15 PHE CB C 13 39.251 0.300 . 1 . . . . . 15 PHE CB . 10338 1 186 . 1 1 15 15 PHE CD1 C 13 131.577 0.300 . 1 . . . . . 15 PHE CD1 . 10338 1 187 . 1 1 15 15 PHE CD2 C 13 131.577 0.300 . 1 . . . . . 15 PHE CD2 . 10338 1 188 . 1 1 15 15 PHE CE1 C 13 131.701 0.300 . 1 . . . . . 15 PHE CE1 . 10338 1 189 . 1 1 15 15 PHE CE2 C 13 131.701 0.300 . 1 . . . . . 15 PHE CE2 . 10338 1 190 . 1 1 15 15 PHE CZ C 13 130.173 0.300 . 1 . . . . . 15 PHE CZ . 10338 1 191 . 1 1 15 15 PHE N N 15 119.963 0.300 . 1 . . . . . 15 PHE N . 10338 1 192 . 1 1 16 16 PRO HA H 1 4.580 0.030 . 1 . . . . . 16 PRO HA . 10338 1 193 . 1 1 16 16 PRO HB2 H 1 2.568 0.030 . 2 . . . . . 16 PRO HB2 . 10338 1 194 . 1 1 16 16 PRO HB3 H 1 1.998 0.030 . 2 . . . . . 16 PRO HB3 . 10338 1 195 . 1 1 16 16 PRO HD2 H 1 3.713 0.030 . 2 . . . . . 16 PRO HD2 . 10338 1 196 . 1 1 16 16 PRO HD3 H 1 4.330 0.030 . 2 . . . . . 16 PRO HD3 . 10338 1 197 . 1 1 16 16 PRO HG2 H 1 2.336 0.030 . 2 . . . . . 16 PRO HG2 . 10338 1 198 . 1 1 16 16 PRO HG3 H 1 2.186 0.030 . 2 . . . . . 16 PRO HG3 . 10338 1 199 . 1 1 16 16 PRO CA C 13 62.779 0.300 . 1 . . . . . 16 PRO CA . 10338 1 200 . 1 1 16 16 PRO CB C 13 32.115 0.300 . 1 . . . . . 16 PRO CB . 10338 1 201 . 1 1 16 16 PRO CD C 13 50.567 0.300 . 1 . . . . . 16 PRO CD . 10338 1 202 . 1 1 16 16 PRO CG C 13 27.996 0.300 . 1 . . . . . 16 PRO CG . 10338 1 203 . 1 1 17 17 MET HA H 1 4.023 0.030 . 1 . . . . . 17 MET HA . 10338 1 204 . 1 1 17 17 MET HB2 H 1 2.575 0.030 . 2 . . . . . 17 MET HB2 . 10338 1 205 . 1 1 17 17 MET HE1 H 1 2.077 0.030 . 1 . . . . . 17 MET HE . 10338 1 206 . 1 1 17 17 MET HE2 H 1 2.077 0.030 . 1 . . . . . 17 MET HE . 10338 1 207 . 1 1 17 17 MET HE3 H 1 2.077 0.030 . 1 . . . . . 17 MET HE . 10338 1 208 . 1 1 17 17 MET HG2 H 1 2.055 0.030 . 2 . . . . . 17 MET HG2 . 10338 1 209 . 1 1 17 17 MET C C 13 177.693 0.300 . 1 . . . . . 17 MET C . 10338 1 210 . 1 1 17 17 MET CA C 13 60.019 0.300 . 1 . . . . . 17 MET CA . 10338 1 211 . 1 1 17 17 MET CB C 13 31.847 0.300 . 1 . . . . . 17 MET CB . 10338 1 212 . 1 1 17 17 MET CE C 13 17.230 0.300 . 1 . . . . . 17 MET CE . 10338 1 213 . 1 1 17 17 MET CG C 13 31.833 0.300 . 1 . . . . . 17 MET CG . 10338 1 214 . 1 1 18 18 ASP H H 1 9.108 0.030 . 1 . . . . . 18 ASP H . 10338 1 215 . 1 1 18 18 ASP HA H 1 4.304 0.030 . 1 . . . . . 18 ASP HA . 10338 1 216 . 1 1 18 18 ASP HB2 H 1 2.447 0.030 . 2 . . . . . 18 ASP HB2 . 10338 1 217 . 1 1 18 18 ASP HB3 H 1 2.380 0.030 . 2 . . . . . 18 ASP HB3 . 10338 1 218 . 1 1 18 18 ASP C C 13 179.013 0.300 . 1 . . . . . 18 ASP C . 10338 1 219 . 1 1 18 18 ASP CA C 13 58.453 0.300 . 1 . . . . . 18 ASP CA . 10338 1 220 . 1 1 18 18 ASP CB C 13 40.824 0.300 . 1 . . . . . 18 ASP CB . 10338 1 221 . 1 1 18 18 ASP N N 15 116.588 0.300 . 1 . . . . . 18 ASP N . 10338 1 222 . 1 1 19 19 ALA H H 1 6.946 0.030 . 1 . . . . . 19 ALA H . 10338 1 223 . 1 1 19 19 ALA HA H 1 4.011 0.030 . 1 . . . . . 19 ALA HA . 10338 1 224 . 1 1 19 19 ALA HB1 H 1 0.949 0.030 . 1 . . . . . 19 ALA HB . 10338 1 225 . 1 1 19 19 ALA HB2 H 1 0.949 0.030 . 1 . . . . . 19 ALA HB . 10338 1 226 . 1 1 19 19 ALA HB3 H 1 0.949 0.030 . 1 . . . . . 19 ALA HB . 10338 1 227 . 1 1 19 19 ALA C C 13 178.748 0.300 . 1 . . . . . 19 ALA C . 10338 1 228 . 1 1 19 19 ALA CA C 13 54.845 0.300 . 1 . . . . . 19 ALA CA . 10338 1 229 . 1 1 19 19 ALA CB C 13 18.235 0.300 . 1 . . . . . 19 ALA CB . 10338 1 230 . 1 1 19 19 ALA N N 15 119.943 0.300 . 1 . . . . . 19 ALA N . 10338 1 231 . 1 1 20 20 CYS H H 1 7.643 0.030 . 1 . . . . . 20 CYS H . 10338 1 232 . 1 1 20 20 CYS HA H 1 3.797 0.030 . 1 . . . . . 20 CYS HA . 10338 1 233 . 1 1 20 20 CYS HB2 H 1 2.548 0.030 . 2 . . . . . 20 CYS HB2 . 10338 1 234 . 1 1 20 20 CYS HB3 H 1 3.242 0.030 . 2 . . . . . 20 CYS HB3 . 10338 1 235 . 1 1 20 20 CYS C C 13 176.217 0.300 . 1 . . . . . 20 CYS C . 10338 1 236 . 1 1 20 20 CYS CA C 13 63.481 0.300 . 1 . . . . . 20 CYS CA . 10338 1 237 . 1 1 20 20 CYS CB C 13 27.383 0.300 . 1 . . . . . 20 CYS CB . 10338 1 238 . 1 1 20 20 CYS N N 15 117.017 0.300 . 1 . . . . . 20 CYS N . 10338 1 239 . 1 1 21 21 ARG H H 1 8.100 0.030 . 1 . . . . . 21 ARG H . 10338 1 240 . 1 1 21 21 ARG HA H 1 3.658 0.030 . 1 . . . . . 21 ARG HA . 10338 1 241 . 1 1 21 21 ARG HB2 H 1 1.711 0.030 . 1 . . . . . 21 ARG HB2 . 10338 1 242 . 1 1 21 21 ARG HB3 H 1 1.711 0.030 . 1 . . . . . 21 ARG HB3 . 10338 1 243 . 1 1 21 21 ARG HD2 H 1 3.182 0.030 . 2 . . . . . 21 ARG HD2 . 10338 1 244 . 1 1 21 21 ARG HD3 H 1 3.145 0.030 . 2 . . . . . 21 ARG HD3 . 10338 1 245 . 1 1 21 21 ARG HG2 H 1 1.378 0.030 . 2 . . . . . 21 ARG HG2 . 10338 1 246 . 1 1 21 21 ARG HG3 H 1 1.721 0.030 . 2 . . . . . 21 ARG HG3 . 10338 1 247 . 1 1 21 21 ARG C C 13 178.301 0.300 . 1 . . . . . 21 ARG C . 10338 1 248 . 1 1 21 21 ARG CA C 13 60.081 0.300 . 1 . . . . . 21 ARG CA . 10338 1 249 . 1 1 21 21 ARG CB C 13 29.938 0.300 . 1 . . . . . 21 ARG CB . 10338 1 250 . 1 1 21 21 ARG CD C 13 42.884 0.300 . 1 . . . . . 21 ARG CD . 10338 1 251 . 1 1 21 21 ARG CG C 13 28.233 0.300 . 1 . . . . . 21 ARG CG . 10338 1 252 . 1 1 21 21 ARG N N 15 117.527 0.300 . 1 . . . . . 21 ARG N . 10338 1 253 . 1 1 22 22 LYS H H 1 7.210 0.030 . 1 . . . . . 22 LYS H . 10338 1 254 . 1 1 22 22 LYS HA H 1 3.466 0.030 . 1 . . . . . 22 LYS HA . 10338 1 255 . 1 1 22 22 LYS HB2 H 1 1.446 0.030 . 2 . . . . . 22 LYS HB2 . 10338 1 256 . 1 1 22 22 LYS HB3 H 1 1.732 0.030 . 2 . . . . . 22 LYS HB3 . 10338 1 257 . 1 1 22 22 LYS HD2 H 1 1.844 0.030 . 1 . . . . . 22 LYS HD2 . 10338 1 258 . 1 1 22 22 LYS HD3 H 1 1.844 0.030 . 1 . . . . . 22 LYS HD3 . 10338 1 259 . 1 1 22 22 LYS HE2 H 1 3.039 0.030 . 2 . . . . . 22 LYS HE2 . 10338 1 260 . 1 1 22 22 LYS HE3 H 1 2.963 0.030 . 2 . . . . . 22 LYS HE3 . 10338 1 261 . 1 1 22 22 LYS HG2 H 1 1.299 0.030 . 2 . . . . . 22 LYS HG2 . 10338 1 262 . 1 1 22 22 LYS HG3 H 1 1.637 0.030 . 2 . . . . . 22 LYS HG3 . 10338 1 263 . 1 1 22 22 LYS C C 13 176.078 0.300 . 1 . . . . . 22 LYS C . 10338 1 264 . 1 1 22 22 LYS CA C 13 60.184 0.300 . 1 . . . . . 22 LYS CA . 10338 1 265 . 1 1 22 22 LYS CB C 13 32.192 0.300 . 1 . . . . . 22 LYS CB . 10338 1 266 . 1 1 22 22 LYS CD C 13 29.855 0.300 . 1 . . . . . 22 LYS CD . 10338 1 267 . 1 1 22 22 LYS CE C 13 42.218 0.300 . 1 . . . . . 22 LYS CE . 10338 1 268 . 1 1 22 22 LYS CG C 13 27.053 0.300 . 1 . . . . . 22 LYS CG . 10338 1 269 . 1 1 22 22 LYS N N 15 117.569 0.300 . 1 . . . . . 22 LYS N . 10338 1 270 . 1 1 23 23 ALA H H 1 7.963 0.030 . 1 . . . . . 23 ALA H . 10338 1 271 . 1 1 23 23 ALA HA H 1 3.061 0.030 . 1 . . . . . 23 ALA HA . 10338 1 272 . 1 1 23 23 ALA HB1 H 1 1.676 0.030 . 1 . . . . . 23 ALA HB . 10338 1 273 . 1 1 23 23 ALA HB2 H 1 1.676 0.030 . 1 . . . . . 23 ALA HB . 10338 1 274 . 1 1 23 23 ALA HB3 H 1 1.676 0.030 . 1 . . . . . 23 ALA HB . 10338 1 275 . 1 1 23 23 ALA C C 13 180.079 0.300 . 1 . . . . . 23 ALA C . 10338 1 276 . 1 1 23 23 ALA CA C 13 54.827 0.300 . 1 . . . . . 23 ALA CA . 10338 1 277 . 1 1 23 23 ALA CB C 13 19.965 0.300 . 1 . . . . . 23 ALA CB . 10338 1 278 . 1 1 23 23 ALA N N 15 120.864 0.300 . 1 . . . . . 23 ALA N . 10338 1 279 . 1 1 24 24 VAL H H 1 7.389 0.030 . 1 . . . . . 24 VAL H . 10338 1 280 . 1 1 24 24 VAL HA H 1 3.551 0.030 . 1 . . . . . 24 VAL HA . 10338 1 281 . 1 1 24 24 VAL HB H 1 1.913 0.030 . 1 . . . . . 24 VAL HB . 10338 1 282 . 1 1 24 24 VAL HG11 H 1 0.996 0.030 . 1 . . . . . 24 VAL HG1 . 10338 1 283 . 1 1 24 24 VAL HG12 H 1 0.996 0.030 . 1 . . . . . 24 VAL HG1 . 10338 1 284 . 1 1 24 24 VAL HG13 H 1 0.996 0.030 . 1 . . . . . 24 VAL HG1 . 10338 1 285 . 1 1 24 24 VAL HG21 H 1 0.917 0.030 . 1 . . . . . 24 VAL HG2 . 10338 1 286 . 1 1 24 24 VAL HG22 H 1 0.917 0.030 . 1 . . . . . 24 VAL HG2 . 10338 1 287 . 1 1 24 24 VAL HG23 H 1 0.917 0.030 . 1 . . . . . 24 VAL HG2 . 10338 1 288 . 1 1 24 24 VAL C C 13 176.910 0.300 . 1 . . . . . 24 VAL C . 10338 1 289 . 1 1 24 24 VAL CA C 13 65.376 0.300 . 1 . . . . . 24 VAL CA . 10338 1 290 . 1 1 24 24 VAL CB C 13 31.811 0.300 . 1 . . . . . 24 VAL CB . 10338 1 291 . 1 1 24 24 VAL CG1 C 13 23.236 0.300 . 2 . . . . . 24 VAL CG1 . 10338 1 292 . 1 1 24 24 VAL CG2 C 13 23.835 0.300 . 2 . . . . . 24 VAL CG2 . 10338 1 293 . 1 1 24 24 VAL N N 15 116.468 0.300 . 1 . . . . . 24 VAL N . 10338 1 294 . 1 1 25 25 TYR H H 1 7.887 0.030 . 1 . . . . . 25 TYR H . 10338 1 295 . 1 1 25 25 TYR HA H 1 3.887 0.030 . 1 . . . . . 25 TYR HA . 10338 1 296 . 1 1 25 25 TYR HB2 H 1 2.517 0.030 . 2 . . . . . 25 TYR HB2 . 10338 1 297 . 1 1 25 25 TYR HB3 H 1 2.801 0.030 . 2 . . . . . 25 TYR HB3 . 10338 1 298 . 1 1 25 25 TYR HD1 H 1 6.175 0.030 . 1 . . . . . 25 TYR HD1 . 10338 1 299 . 1 1 25 25 TYR HD2 H 1 6.175 0.030 . 1 . . . . . 25 TYR HD2 . 10338 1 300 . 1 1 25 25 TYR HE1 H 1 6.526 0.030 . 1 . . . . . 25 TYR HE1 . 10338 1 301 . 1 1 25 25 TYR HE2 H 1 6.526 0.030 . 1 . . . . . 25 TYR HE2 . 10338 1 302 . 1 1 25 25 TYR C C 13 179.883 0.300 . 1 . . . . . 25 TYR C . 10338 1 303 . 1 1 25 25 TYR CA C 13 61.820 0.300 . 1 . . . . . 25 TYR CA . 10338 1 304 . 1 1 25 25 TYR CB C 13 38.556 0.300 . 1 . . . . . 25 TYR CB . 10338 1 305 . 1 1 25 25 TYR CD1 C 13 132.785 0.300 . 1 . . . . . 25 TYR CD1 . 10338 1 306 . 1 1 25 25 TYR CD2 C 13 132.785 0.300 . 1 . . . . . 25 TYR CD2 . 10338 1 307 . 1 1 25 25 TYR CE1 C 13 118.236 0.300 . 1 . . . . . 25 TYR CE1 . 10338 1 308 . 1 1 25 25 TYR CE2 C 13 118.236 0.300 . 1 . . . . . 25 TYR CE2 . 10338 1 309 . 1 1 25 25 TYR N N 15 121.437 0.300 . 1 . . . . . 25 TYR N . 10338 1 310 . 1 1 26 26 TYR H H 1 8.917 0.030 . 1 . . . . . 26 TYR H . 10338 1 311 . 1 1 26 26 TYR HA H 1 4.076 0.030 . 1 . . . . . 26 TYR HA . 10338 1 312 . 1 1 26 26 TYR HB2 H 1 1.865 0.030 . 2 . . . . . 26 TYR HB2 . 10338 1 313 . 1 1 26 26 TYR HB3 H 1 2.949 0.030 . 2 . . . . . 26 TYR HB3 . 10338 1 314 . 1 1 26 26 TYR HD1 H 1 6.836 0.030 . 1 . . . . . 26 TYR HD1 . 10338 1 315 . 1 1 26 26 TYR HD2 H 1 6.836 0.030 . 1 . . . . . 26 TYR HD2 . 10338 1 316 . 1 1 26 26 TYR HE1 H 1 6.830 0.030 . 1 . . . . . 26 TYR HE1 . 10338 1 317 . 1 1 26 26 TYR HE2 H 1 6.830 0.030 . 1 . . . . . 26 TYR HE2 . 10338 1 318 . 1 1 26 26 TYR C C 13 177.181 0.300 . 1 . . . . . 26 TYR C . 10338 1 319 . 1 1 26 26 TYR CA C 13 60.843 0.300 . 1 . . . . . 26 TYR CA . 10338 1 320 . 1 1 26 26 TYR CB C 13 37.244 0.300 . 1 . . . . . 26 TYR CB . 10338 1 321 . 1 1 26 26 TYR CD1 C 13 133.465 0.300 . 1 . . . . . 26 TYR CD1 . 10338 1 322 . 1 1 26 26 TYR CD2 C 13 133.465 0.300 . 1 . . . . . 26 TYR CD2 . 10338 1 323 . 1 1 26 26 TYR CE1 C 13 117.363 0.300 . 1 . . . . . 26 TYR CE1 . 10338 1 324 . 1 1 26 26 TYR CE2 C 13 117.363 0.300 . 1 . . . . . 26 TYR CE2 . 10338 1 325 . 1 1 26 26 TYR N N 15 117.128 0.300 . 1 . . . . . 26 TYR N . 10338 1 326 . 1 1 27 27 THR H H 1 7.036 0.030 . 1 . . . . . 27 THR H . 10338 1 327 . 1 1 27 27 THR HA H 1 4.524 0.030 . 1 . . . . . 27 THR HA . 10338 1 328 . 1 1 27 27 THR HB H 1 4.420 0.030 . 1 . . . . . 27 THR HB . 10338 1 329 . 1 1 27 27 THR HG21 H 1 1.299 0.030 . 1 . . . . . 27 THR HG2 . 10338 1 330 . 1 1 27 27 THR HG22 H 1 1.299 0.030 . 1 . . . . . 27 THR HG2 . 10338 1 331 . 1 1 27 27 THR HG23 H 1 1.299 0.030 . 1 . . . . . 27 THR HG2 . 10338 1 332 . 1 1 27 27 THR C C 13 175.322 0.300 . 1 . . . . . 27 THR C . 10338 1 333 . 1 1 27 27 THR CA C 13 60.926 0.300 . 1 . . . . . 27 THR CA . 10338 1 334 . 1 1 27 27 THR CB C 13 69.167 0.300 . 1 . . . . . 27 THR CB . 10338 1 335 . 1 1 27 27 THR CG2 C 13 21.449 0.300 . 1 . . . . . 27 THR CG2 . 10338 1 336 . 1 1 27 27 THR N N 15 106.094 0.300 . 1 . . . . . 27 THR N . 10338 1 337 . 1 1 28 28 GLY H H 1 7.467 0.030 . 1 . . . . . 28 GLY H . 10338 1 338 . 1 1 28 28 GLY HA2 H 1 3.738 0.030 . 1 . . . . . 28 GLY HA2 . 10338 1 339 . 1 1 28 28 GLY HA3 H 1 3.738 0.030 . 1 . . . . . 28 GLY HA3 . 10338 1 340 . 1 1 28 28 GLY C C 13 175.050 0.300 . 1 . . . . . 28 GLY C . 10338 1 341 . 1 1 28 28 GLY CA C 13 46.998 0.300 . 1 . . . . . 28 GLY CA . 10338 1 342 . 1 1 28 28 GLY N N 15 110.742 0.300 . 1 . . . . . 28 GLY N . 10338 1 343 . 1 1 29 29 ASN H H 1 8.775 0.030 . 1 . . . . . 29 ASN H . 10338 1 344 . 1 1 29 29 ASN HA H 1 4.390 0.030 . 1 . . . . . 29 ASN HA . 10338 1 345 . 1 1 29 29 ASN HB2 H 1 2.368 0.030 . 2 . . . . . 29 ASN HB2 . 10338 1 346 . 1 1 29 29 ASN HB3 H 1 3.237 0.030 . 2 . . . . . 29 ASN HB3 . 10338 1 347 . 1 1 29 29 ASN HD21 H 1 6.744 0.030 . 2 . . . . . 29 ASN HD21 . 10338 1 348 . 1 1 29 29 ASN HD22 H 1 7.562 0.030 . 2 . . . . . 29 ASN HD22 . 10338 1 349 . 1 1 29 29 ASN C C 13 175.374 0.300 . 1 . . . . . 29 ASN C . 10338 1 350 . 1 1 29 29 ASN CA C 13 53.780 0.300 . 1 . . . . . 29 ASN CA . 10338 1 351 . 1 1 29 29 ASN CB C 13 37.758 0.300 . 1 . . . . . 29 ASN CB . 10338 1 352 . 1 1 29 29 ASN N N 15 118.118 0.300 . 1 . . . . . 29 ASN N . 10338 1 353 . 1 1 29 29 ASN ND2 N 15 112.277 0.300 . 1 . . . . . 29 ASN ND2 . 10338 1 354 . 1 1 30 30 SER H H 1 8.590 0.030 . 1 . . . . . 30 SER H . 10338 1 355 . 1 1 30 30 SER HA H 1 4.583 0.030 . 1 . . . . . 30 SER HA . 10338 1 356 . 1 1 30 30 SER HB2 H 1 3.972 0.030 . 2 . . . . . 30 SER HB2 . 10338 1 357 . 1 1 30 30 SER HB3 H 1 3.818 0.030 . 2 . . . . . 30 SER HB3 . 10338 1 358 . 1 1 30 30 SER C C 13 175.255 0.300 . 1 . . . . . 30 SER C . 10338 1 359 . 1 1 30 30 SER CA C 13 58.007 0.300 . 1 . . . . . 30 SER CA . 10338 1 360 . 1 1 30 30 SER CB C 13 64.470 0.300 . 1 . . . . . 30 SER CB . 10338 1 361 . 1 1 30 30 SER N N 15 114.274 0.300 . 1 . . . . . 30 SER N . 10338 1 362 . 1 1 31 31 GLY H H 1 8.586 0.030 . 1 . . . . . 31 GLY H . 10338 1 363 . 1 1 31 31 GLY HA2 H 1 4.685 0.030 . 2 . . . . . 31 GLY HA2 . 10338 1 364 . 1 1 31 31 GLY HA3 H 1 3.760 0.030 . 2 . . . . . 31 GLY HA3 . 10338 1 365 . 1 1 31 31 GLY C C 13 174.666 0.300 . 1 . . . . . 31 GLY C . 10338 1 366 . 1 1 31 31 GLY CA C 13 44.278 0.300 . 1 . . . . . 31 GLY CA . 10338 1 367 . 1 1 31 31 GLY N N 15 110.801 0.300 . 1 . . . . . 31 GLY N . 10338 1 368 . 1 1 32 32 ALA H H 1 8.927 0.030 . 1 . . . . . 32 ALA H . 10338 1 369 . 1 1 32 32 ALA HA H 1 3.868 0.030 . 1 . . . . . 32 ALA HA . 10338 1 370 . 1 1 32 32 ALA HB1 H 1 1.412 0.030 . 1 . . . . . 32 ALA HB . 10338 1 371 . 1 1 32 32 ALA HB2 H 1 1.412 0.030 . 1 . . . . . 32 ALA HB . 10338 1 372 . 1 1 32 32 ALA HB3 H 1 1.412 0.030 . 1 . . . . . 32 ALA HB . 10338 1 373 . 1 1 32 32 ALA C C 13 178.907 0.300 . 1 . . . . . 32 ALA C . 10338 1 374 . 1 1 32 32 ALA CA C 13 55.452 0.300 . 1 . . . . . 32 ALA CA . 10338 1 375 . 1 1 32 32 ALA CB C 13 18.729 0.300 . 1 . . . . . 32 ALA CB . 10338 1 376 . 1 1 32 32 ALA N N 15 121.289 0.300 . 1 . . . . . 32 ALA N . 10338 1 377 . 1 1 33 33 GLU H H 1 8.666 0.030 . 1 . . . . . 33 GLU H . 10338 1 378 . 1 1 33 33 GLU HA H 1 3.965 0.030 . 1 . . . . . 33 GLU HA . 10338 1 379 . 1 1 33 33 GLU HB2 H 1 2.074 0.030 . 2 . . . . . 33 GLU HB2 . 10338 1 380 . 1 1 33 33 GLU HB3 H 1 1.991 0.030 . 2 . . . . . 33 GLU HB3 . 10338 1 381 . 1 1 33 33 GLU HG2 H 1 2.291 0.030 . 1 . . . . . 33 GLU HG2 . 10338 1 382 . 1 1 33 33 GLU HG3 H 1 2.291 0.030 . 1 . . . . . 33 GLU HG3 . 10338 1 383 . 1 1 33 33 GLU C C 13 179.137 0.300 . 1 . . . . . 33 GLU C . 10338 1 384 . 1 1 33 33 GLU CA C 13 60.467 0.300 . 1 . . . . . 33 GLU CA . 10338 1 385 . 1 1 33 33 GLU CB C 13 28.783 0.300 . 1 . . . . . 33 GLU CB . 10338 1 386 . 1 1 33 33 GLU CG C 13 36.553 0.300 . 1 . . . . . 33 GLU CG . 10338 1 387 . 1 1 33 33 GLU N N 15 119.318 0.300 . 1 . . . . . 33 GLU N . 10338 1 388 . 1 1 34 34 ALA H H 1 8.490 0.030 . 1 . . . . . 34 ALA H . 10338 1 389 . 1 1 34 34 ALA HA H 1 4.194 0.030 . 1 . . . . . 34 ALA HA . 10338 1 390 . 1 1 34 34 ALA HB1 H 1 1.420 0.030 . 1 . . . . . 34 ALA HB . 10338 1 391 . 1 1 34 34 ALA HB2 H 1 1.420 0.030 . 1 . . . . . 34 ALA HB . 10338 1 392 . 1 1 34 34 ALA HB3 H 1 1.420 0.030 . 1 . . . . . 34 ALA HB . 10338 1 393 . 1 1 34 34 ALA C C 13 181.180 0.300 . 1 . . . . . 34 ALA C . 10338 1 394 . 1 1 34 34 ALA CA C 13 54.745 0.300 . 1 . . . . . 34 ALA CA . 10338 1 395 . 1 1 34 34 ALA CB C 13 18.446 0.300 . 1 . . . . . 34 ALA CB . 10338 1 396 . 1 1 34 34 ALA N N 15 121.243 0.300 . 1 . . . . . 34 ALA N . 10338 1 397 . 1 1 35 35 ALA H H 1 7.467 0.030 . 1 . . . . . 35 ALA H . 10338 1 398 . 1 1 35 35 ALA HA H 1 4.120 0.030 . 1 . . . . . 35 ALA HA . 10338 1 399 . 1 1 35 35 ALA HB1 H 1 1.326 0.030 . 1 . . . . . 35 ALA HB . 10338 1 400 . 1 1 35 35 ALA HB2 H 1 1.326 0.030 . 1 . . . . . 35 ALA HB . 10338 1 401 . 1 1 35 35 ALA HB3 H 1 1.326 0.030 . 1 . . . . . 35 ALA HB . 10338 1 402 . 1 1 35 35 ALA C C 13 179.149 0.300 . 1 . . . . . 35 ALA C . 10338 1 403 . 1 1 35 35 ALA CA C 13 54.992 0.300 . 1 . . . . . 35 ALA CA . 10338 1 404 . 1 1 35 35 ALA CB C 13 19.059 0.300 . 1 . . . . . 35 ALA CB . 10338 1 405 . 1 1 35 35 ALA N N 15 120.250 0.300 . 1 . . . . . 35 ALA N . 10338 1 406 . 1 1 36 36 MET H H 1 8.917 0.030 . 1 . . . . . 36 MET H . 10338 1 407 . 1 1 36 36 MET HA H 1 4.098 0.030 . 1 . . . . . 36 MET HA . 10338 1 408 . 1 1 36 36 MET HB2 H 1 2.205 0.030 . 2 . . . . . 36 MET HB2 . 10338 1 409 . 1 1 36 36 MET HB3 H 1 2.576 0.030 . 2 . . . . . 36 MET HB3 . 10338 1 410 . 1 1 36 36 MET HE1 H 1 2.135 0.030 . 1 . . . . . 36 MET HE . 10338 1 411 . 1 1 36 36 MET HE2 H 1 2.135 0.030 . 1 . . . . . 36 MET HE . 10338 1 412 . 1 1 36 36 MET HE3 H 1 2.135 0.030 . 1 . . . . . 36 MET HE . 10338 1 413 . 1 1 36 36 MET HG2 H 1 2.568 0.030 . 2 . . . . . 36 MET HG2 . 10338 1 414 . 1 1 36 36 MET HG3 H 1 2.208 0.030 . 2 . . . . . 36 MET HG3 . 10338 1 415 . 1 1 36 36 MET C C 13 178.059 0.300 . 1 . . . . . 36 MET C . 10338 1 416 . 1 1 36 36 MET CA C 13 57.959 0.300 . 1 . . . . . 36 MET CA . 10338 1 417 . 1 1 36 36 MET CB C 13 31.833 0.300 . 1 . . . . . 36 MET CB . 10338 1 418 . 1 1 36 36 MET CE C 13 17.034 0.300 . 1 . . . . . 36 MET CE . 10338 1 419 . 1 1 36 36 MET CG C 13 32.119 0.300 . 1 . . . . . 36 MET CG . 10338 1 420 . 1 1 36 36 MET N N 15 119.105 0.300 . 1 . . . . . 36 MET N . 10338 1 421 . 1 1 37 37 ASN H H 1 7.971 0.030 . 1 . . . . . 37 ASN H . 10338 1 422 . 1 1 37 37 ASN HA H 1 4.461 0.030 . 1 . . . . . 37 ASN HA . 10338 1 423 . 1 1 37 37 ASN HB2 H 1 2.951 0.030 . 2 . . . . . 37 ASN HB2 . 10338 1 424 . 1 1 37 37 ASN HB3 H 1 2.878 0.030 . 2 . . . . . 37 ASN HB3 . 10338 1 425 . 1 1 37 37 ASN HD21 H 1 7.644 0.030 . 2 . . . . . 37 ASN HD21 . 10338 1 426 . 1 1 37 37 ASN HD22 H 1 7.045 0.030 . 2 . . . . . 37 ASN HD22 . 10338 1 427 . 1 1 37 37 ASN C C 13 177.926 0.300 . 1 . . . . . 37 ASN C . 10338 1 428 . 1 1 37 37 ASN CA C 13 56.369 0.300 . 1 . . . . . 37 ASN CA . 10338 1 429 . 1 1 37 37 ASN CB C 13 38.173 0.300 . 1 . . . . . 37 ASN CB . 10338 1 430 . 1 1 37 37 ASN N N 15 117.326 0.300 . 1 . . . . . 37 ASN N . 10338 1 431 . 1 1 37 37 ASN ND2 N 15 112.765 0.300 . 1 . . . . . 37 ASN ND2 . 10338 1 432 . 1 1 38 38 TRP H H 1 7.904 0.030 . 1 . . . . . 38 TRP H . 10338 1 433 . 1 1 38 38 TRP HA H 1 4.177 0.030 . 1 . . . . . 38 TRP HA . 10338 1 434 . 1 1 38 38 TRP HB2 H 1 3.252 0.030 . 2 . . . . . 38 TRP HB2 . 10338 1 435 . 1 1 38 38 TRP HB3 H 1 3.748 0.030 . 2 . . . . . 38 TRP HB3 . 10338 1 436 . 1 1 38 38 TRP HD1 H 1 7.207 0.030 . 1 . . . . . 38 TRP HD1 . 10338 1 437 . 1 1 38 38 TRP HE1 H 1 9.692 0.030 . 1 . . . . . 38 TRP HE1 . 10338 1 438 . 1 1 38 38 TRP HE3 H 1 7.290 0.030 . 1 . . . . . 38 TRP HE3 . 10338 1 439 . 1 1 38 38 TRP HH2 H 1 7.008 0.030 . 1 . . . . . 38 TRP HH2 . 10338 1 440 . 1 1 38 38 TRP HZ2 H 1 6.721 0.030 . 1 . . . . . 38 TRP HZ2 . 10338 1 441 . 1 1 38 38 TRP HZ3 H 1 6.974 0.030 . 1 . . . . . 38 TRP HZ3 . 10338 1 442 . 1 1 38 38 TRP C C 13 179.348 0.300 . 1 . . . . . 38 TRP C . 10338 1 443 . 1 1 38 38 TRP CA C 13 62.986 0.300 . 1 . . . . . 38 TRP CA . 10338 1 444 . 1 1 38 38 TRP CB C 13 30.078 0.300 . 1 . . . . . 38 TRP CB . 10338 1 445 . 1 1 38 38 TRP CD1 C 13 127.058 0.300 . 1 . . . . . 38 TRP CD1 . 10338 1 446 . 1 1 38 38 TRP CE3 C 13 119.996 0.300 . 1 . . . . . 38 TRP CE3 . 10338 1 447 . 1 1 38 38 TRP CH2 C 13 123.752 0.300 . 1 . . . . . 38 TRP CH2 . 10338 1 448 . 1 1 38 38 TRP CZ2 C 13 114.894 0.300 . 1 . . . . . 38 TRP CZ2 . 10338 1 449 . 1 1 38 38 TRP CZ3 C 13 121.067 0.300 . 1 . . . . . 38 TRP CZ3 . 10338 1 450 . 1 1 38 38 TRP N N 15 122.290 0.300 . 1 . . . . . 38 TRP N . 10338 1 451 . 1 1 38 38 TRP NE1 N 15 130.553 0.300 . 1 . . . . . 38 TRP NE1 . 10338 1 452 . 1 1 39 39 VAL H H 1 8.565 0.030 . 1 . . . . . 39 VAL H . 10338 1 453 . 1 1 39 39 VAL HA H 1 3.647 0.030 . 1 . . . . . 39 VAL HA . 10338 1 454 . 1 1 39 39 VAL HB H 1 2.118 0.030 . 1 . . . . . 39 VAL HB . 10338 1 455 . 1 1 39 39 VAL HG11 H 1 1.002 0.030 . 1 . . . . . 39 VAL HG1 . 10338 1 456 . 1 1 39 39 VAL HG12 H 1 1.002 0.030 . 1 . . . . . 39 VAL HG1 . 10338 1 457 . 1 1 39 39 VAL HG13 H 1 1.002 0.030 . 1 . . . . . 39 VAL HG1 . 10338 1 458 . 1 1 39 39 VAL HG21 H 1 0.376 0.030 . 1 . . . . . 39 VAL HG2 . 10338 1 459 . 1 1 39 39 VAL HG22 H 1 0.376 0.030 . 1 . . . . . 39 VAL HG2 . 10338 1 460 . 1 1 39 39 VAL HG23 H 1 0.376 0.030 . 1 . . . . . 39 VAL HG2 . 10338 1 461 . 1 1 39 39 VAL C C 13 177.481 0.300 . 1 . . . . . 39 VAL C . 10338 1 462 . 1 1 39 39 VAL CA C 13 67.849 0.300 . 1 . . . . . 39 VAL CA . 10338 1 463 . 1 1 39 39 VAL CB C 13 31.494 0.300 . 1 . . . . . 39 VAL CB . 10338 1 464 . 1 1 39 39 VAL CG1 C 13 23.129 0.300 . 2 . . . . . 39 VAL CG1 . 10338 1 465 . 1 1 39 39 VAL CG2 C 13 21.202 0.300 . 2 . . . . . 39 VAL CG2 . 10338 1 466 . 1 1 39 39 VAL N N 15 119.699 0.300 . 1 . . . . . 39 VAL N . 10338 1 467 . 1 1 40 40 MET H H 1 8.185 0.030 . 1 . . . . . 40 MET H . 10338 1 468 . 1 1 40 40 MET HA H 1 4.190 0.030 . 1 . . . . . 40 MET HA . 10338 1 469 . 1 1 40 40 MET HB2 H 1 2.119 0.030 . 2 . . . . . 40 MET HB2 . 10338 1 470 . 1 1 40 40 MET HB3 H 1 2.064 0.030 . 2 . . . . . 40 MET HB3 . 10338 1 471 . 1 1 40 40 MET HE1 H 1 2.137 0.030 . 1 . . . . . 40 MET HE . 10338 1 472 . 1 1 40 40 MET HE2 H 1 2.137 0.030 . 1 . . . . . 40 MET HE . 10338 1 473 . 1 1 40 40 MET HE3 H 1 2.137 0.030 . 1 . . . . . 40 MET HE . 10338 1 474 . 1 1 40 40 MET HG2 H 1 2.799 0.030 . 2 . . . . . 40 MET HG2 . 10338 1 475 . 1 1 40 40 MET HG3 H 1 2.678 0.030 . 2 . . . . . 40 MET HG3 . 10338 1 476 . 1 1 40 40 MET C C 13 178.699 0.300 . 1 . . . . . 40 MET C . 10338 1 477 . 1 1 40 40 MET CA C 13 57.720 0.300 . 1 . . . . . 40 MET CA . 10338 1 478 . 1 1 40 40 MET CB C 13 31.751 0.300 . 1 . . . . . 40 MET CB . 10338 1 479 . 1 1 40 40 MET CE C 13 17.034 0.300 . 1 . . . . . 40 MET CE . 10338 1 480 . 1 1 40 40 MET CG C 13 32.418 0.300 . 1 . . . . . 40 MET CG . 10338 1 481 . 1 1 40 40 MET N N 15 115.135 0.300 . 1 . . . . . 40 MET N . 10338 1 482 . 1 1 41 41 SER H H 1 7.503 0.030 . 1 . . . . . 41 SER H . 10338 1 483 . 1 1 41 41 SER HA H 1 4.208 0.030 . 1 . . . . . 41 SER HA . 10338 1 484 . 1 1 41 41 SER HB2 H 1 3.429 0.030 . 2 . . . . . 41 SER HB2 . 10338 1 485 . 1 1 41 41 SER HB3 H 1 3.613 0.030 . 2 . . . . . 41 SER HB3 . 10338 1 486 . 1 1 41 41 SER C C 13 175.078 0.300 . 1 . . . . . 41 SER C . 10338 1 487 . 1 1 41 41 SER CA C 13 60.019 0.300 . 1 . . . . . 41 SER CA . 10338 1 488 . 1 1 41 41 SER CB C 13 63.780 0.300 . 1 . . . . . 41 SER CB . 10338 1 489 . 1 1 41 41 SER N N 15 112.005 0.300 . 1 . . . . . 41 SER N . 10338 1 490 . 1 1 42 42 HIS H H 1 7.497 0.030 . 1 . . . . . 42 HIS H . 10338 1 491 . 1 1 42 42 HIS HA H 1 4.293 0.030 . 1 . . . . . 42 HIS HA . 10338 1 492 . 1 1 42 42 HIS HB2 H 1 1.445 0.030 . 2 . . . . . 42 HIS HB2 . 10338 1 493 . 1 1 42 42 HIS HB3 H 1 2.827 0.030 . 2 . . . . . 42 HIS HB3 . 10338 1 494 . 1 1 42 42 HIS HD2 H 1 6.033 0.030 . 1 . . . . . 42 HIS HD2 . 10338 1 495 . 1 1 42 42 HIS HE1 H 1 7.864 0.030 . 1 . . . . . 42 HIS HE1 . 10338 1 496 . 1 1 42 42 HIS C C 13 174.878 0.300 . 1 . . . . . 42 HIS C . 10338 1 497 . 1 1 42 42 HIS CA C 13 56.805 0.300 . 1 . . . . . 42 HIS CA . 10338 1 498 . 1 1 42 42 HIS CB C 13 28.372 0.300 . 1 . . . . . 42 HIS CB . 10338 1 499 . 1 1 42 42 HIS CD2 C 13 121.094 0.300 . 1 . . . . . 42 HIS CD2 . 10338 1 500 . 1 1 42 42 HIS CE1 C 13 135.519 0.300 . 1 . . . . . 42 HIS CE1 . 10338 1 501 . 1 1 42 42 HIS N N 15 116.788 0.300 . 1 . . . . . 42 HIS N . 10338 1 502 . 1 1 43 43 MET H H 1 7.363 0.030 . 1 . . . . . 43 MET H . 10338 1 503 . 1 1 43 43 MET HA H 1 2.406 0.030 . 1 . . . . . 43 MET HA . 10338 1 504 . 1 1 43 43 MET HB2 H 1 1.787 0.030 . 1 . . . . . 43 MET HB2 . 10338 1 505 . 1 1 43 43 MET HB3 H 1 1.787 0.030 . 1 . . . . . 43 MET HB3 . 10338 1 506 . 1 1 43 43 MET HE1 H 1 2.127 0.030 . 1 . . . . . 43 MET HE . 10338 1 507 . 1 1 43 43 MET HE2 H 1 2.127 0.030 . 1 . . . . . 43 MET HE . 10338 1 508 . 1 1 43 43 MET HE3 H 1 2.127 0.030 . 1 . . . . . 43 MET HE . 10338 1 509 . 1 1 43 43 MET HG2 H 1 2.268 0.030 . 2 . . . . . 43 MET HG2 . 10338 1 510 . 1 1 43 43 MET HG3 H 1 2.384 0.030 . 2 . . . . . 43 MET HG3 . 10338 1 511 . 1 1 43 43 MET C C 13 175.473 0.300 . 1 . . . . . 43 MET C . 10338 1 512 . 1 1 43 43 MET CA C 13 57.876 0.300 . 1 . . . . . 43 MET CA . 10338 1 513 . 1 1 43 43 MET CB C 13 32.082 0.300 . 1 . . . . . 43 MET CB . 10338 1 514 . 1 1 43 43 MET CE C 13 17.066 0.300 . 1 . . . . . 43 MET CE . 10338 1 515 . 1 1 43 43 MET CG C 13 30.679 0.300 . 1 . . . . . 43 MET CG . 10338 1 516 . 1 1 43 43 MET N N 15 119.081 0.300 . 1 . . . . . 43 MET N . 10338 1 517 . 1 1 44 44 ASP H H 1 7.994 0.030 . 1 . . . . . 44 ASP H . 10338 1 518 . 1 1 44 44 ASP HA H 1 4.703 0.030 . 1 . . . . . 44 ASP HA . 10338 1 519 . 1 1 44 44 ASP HB2 H 1 2.445 0.030 . 2 . . . . . 44 ASP HB2 . 10338 1 520 . 1 1 44 44 ASP HB3 H 1 2.726 0.030 . 2 . . . . . 44 ASP HB3 . 10338 1 521 . 1 1 44 44 ASP C C 13 176.031 0.300 . 1 . . . . . 44 ASP C . 10338 1 522 . 1 1 44 44 ASP CA C 13 53.673 0.300 . 1 . . . . . 44 ASP CA . 10338 1 523 . 1 1 44 44 ASP CB C 13 40.840 0.300 . 1 . . . . . 44 ASP CB . 10338 1 524 . 1 1 44 44 ASP N N 15 117.294 0.300 . 1 . . . . . 44 ASP N . 10338 1 525 . 1 1 45 45 ASP H H 1 7.957 0.030 . 1 . . . . . 45 ASP H . 10338 1 526 . 1 1 45 45 ASP HA H 1 4.706 0.030 . 1 . . . . . 45 ASP HA . 10338 1 527 . 1 1 45 45 ASP HB2 H 1 2.975 0.030 . 2 . . . . . 45 ASP HB2 . 10338 1 528 . 1 1 45 45 ASP HB3 H 1 2.869 0.030 . 2 . . . . . 45 ASP HB3 . 10338 1 529 . 1 1 45 45 ASP C C 13 176.862 0.300 . 1 . . . . . 45 ASP C . 10338 1 530 . 1 1 45 45 ASP CA C 13 52.708 0.300 . 1 . . . . . 45 ASP CA . 10338 1 531 . 1 1 45 45 ASP CB C 13 40.487 0.300 . 1 . . . . . 45 ASP CB . 10338 1 532 . 1 1 45 45 ASP N N 15 123.915 0.300 . 1 . . . . . 45 ASP N . 10338 1 533 . 1 1 46 46 PRO HA H 1 4.421 0.030 . 1 . . . . . 46 PRO HA . 10338 1 534 . 1 1 46 46 PRO HB2 H 1 2.002 0.030 . 2 . . . . . 46 PRO HB2 . 10338 1 535 . 1 1 46 46 PRO HB3 H 1 2.400 0.030 . 2 . . . . . 46 PRO HB3 . 10338 1 536 . 1 1 46 46 PRO HD2 H 1 3.965 0.030 . 2 . . . . . 46 PRO HD2 . 10338 1 537 . 1 1 46 46 PRO HD3 H 1 3.880 0.030 . 2 . . . . . 46 PRO HD3 . 10338 1 538 . 1 1 46 46 PRO HG2 H 1 2.089 0.030 . 1 . . . . . 46 PRO HG2 . 10338 1 539 . 1 1 46 46 PRO HG3 H 1 2.089 0.030 . 1 . . . . . 46 PRO HG3 . 10338 1 540 . 1 1 46 46 PRO C C 13 177.348 0.300 . 1 . . . . . 46 PRO C . 10338 1 541 . 1 1 46 46 PRO CA C 13 64.885 0.300 . 1 . . . . . 46 PRO CA . 10338 1 542 . 1 1 46 46 PRO CB C 13 31.860 0.300 . 1 . . . . . 46 PRO CB . 10338 1 543 . 1 1 46 46 PRO CD C 13 50.825 0.300 . 1 . . . . . 46 PRO CD . 10338 1 544 . 1 1 46 46 PRO CG C 13 27.516 0.300 . 1 . . . . . 46 PRO CG . 10338 1 545 . 1 1 47 47 ASP H H 1 8.462 0.030 . 1 . . . . . 47 ASP H . 10338 1 546 . 1 1 47 47 ASP HA H 1 4.682 0.030 . 1 . . . . . 47 ASP HA . 10338 1 547 . 1 1 47 47 ASP HB2 H 1 2.834 0.030 . 2 . . . . . 47 ASP HB2 . 10338 1 548 . 1 1 47 47 ASP HB3 H 1 2.607 0.030 . 2 . . . . . 47 ASP HB3 . 10338 1 549 . 1 1 47 47 ASP C C 13 176.957 0.300 . 1 . . . . . 47 ASP C . 10338 1 550 . 1 1 47 47 ASP CA C 13 53.344 0.300 . 1 . . . . . 47 ASP CA . 10338 1 551 . 1 1 47 47 ASP CB C 13 40.652 0.300 . 1 . . . . . 47 ASP CB . 10338 1 552 . 1 1 47 47 ASP N N 15 115.696 0.300 . 1 . . . . . 47 ASP N . 10338 1 553 . 1 1 48 48 PHE H H 1 7.755 0.030 . 1 . . . . . 48 PHE H . 10338 1 554 . 1 1 48 48 PHE HA H 1 4.485 0.030 . 1 . . . . . 48 PHE HA . 10338 1 555 . 1 1 48 48 PHE HB2 H 1 3.027 0.030 . 2 . . . . . 48 PHE HB2 . 10338 1 556 . 1 1 48 48 PHE HB3 H 1 3.642 0.030 . 2 . . . . . 48 PHE HB3 . 10338 1 557 . 1 1 48 48 PHE HD1 H 1 7.229 0.030 . 1 . . . . . 48 PHE HD1 . 10338 1 558 . 1 1 48 48 PHE HD2 H 1 7.229 0.030 . 1 . . . . . 48 PHE HD2 . 10338 1 559 . 1 1 48 48 PHE HE1 H 1 7.340 0.030 . 1 . . . . . 48 PHE HE1 . 10338 1 560 . 1 1 48 48 PHE HE2 H 1 7.340 0.030 . 1 . . . . . 48 PHE HE2 . 10338 1 561 . 1 1 48 48 PHE HZ H 1 7.113 0.030 . 1 . . . . . 48 PHE HZ . 10338 1 562 . 1 1 48 48 PHE C C 13 175.885 0.300 . 1 . . . . . 48 PHE C . 10338 1 563 . 1 1 48 48 PHE CA C 13 60.487 0.300 . 1 . . . . . 48 PHE CA . 10338 1 564 . 1 1 48 48 PHE CB C 13 40.404 0.300 . 1 . . . . . 48 PHE CB . 10338 1 565 . 1 1 48 48 PHE CD1 C 13 132.901 0.300 . 1 . . . . . 48 PHE CD1 . 10338 1 566 . 1 1 48 48 PHE CD2 C 13 132.901 0.300 . 1 . . . . . 48 PHE CD2 . 10338 1 567 . 1 1 48 48 PHE CE1 C 13 130.781 0.300 . 1 . . . . . 48 PHE CE1 . 10338 1 568 . 1 1 48 48 PHE CE2 C 13 130.781 0.300 . 1 . . . . . 48 PHE CE2 . 10338 1 569 . 1 1 48 48 PHE CZ C 13 129.162 0.300 . 1 . . . . . 48 PHE CZ . 10338 1 570 . 1 1 48 48 PHE N N 15 121.482 0.300 . 1 . . . . . 48 PHE N . 10338 1 571 . 1 1 49 49 ALA H H 1 8.401 0.030 . 1 . . . . . 49 ALA H . 10338 1 572 . 1 1 49 49 ALA HA H 1 4.095 0.030 . 1 . . . . . 49 ALA HA . 10338 1 573 . 1 1 49 49 ALA HB1 H 1 1.446 0.030 . 1 . . . . . 49 ALA HB . 10338 1 574 . 1 1 49 49 ALA HB2 H 1 1.446 0.030 . 1 . . . . . 49 ALA HB . 10338 1 575 . 1 1 49 49 ALA HB3 H 1 1.446 0.030 . 1 . . . . . 49 ALA HB . 10338 1 576 . 1 1 49 49 ALA C C 13 176.691 0.300 . 1 . . . . . 49 ALA C . 10338 1 577 . 1 1 49 49 ALA CA C 13 51.695 0.300 . 1 . . . . . 49 ALA CA . 10338 1 578 . 1 1 49 49 ALA CB C 13 19.059 0.300 . 1 . . . . . 49 ALA CB . 10338 1 579 . 1 1 49 49 ALA N N 15 117.837 0.300 . 1 . . . . . 49 ALA N . 10338 1 580 . 1 1 50 50 ASN H H 1 7.629 0.030 . 1 . . . . . 50 ASN H . 10338 1 581 . 1 1 50 50 ASN HA H 1 4.777 0.030 . 1 . . . . . 50 ASN HA . 10338 1 582 . 1 1 50 50 ASN HB2 H 1 2.896 0.030 . 2 . . . . . 50 ASN HB2 . 10338 1 583 . 1 1 50 50 ASN HB3 H 1 2.811 0.030 . 2 . . . . . 50 ASN HB3 . 10338 1 584 . 1 1 50 50 ASN HD21 H 1 7.802 0.030 . 2 . . . . . 50 ASN HD21 . 10338 1 585 . 1 1 50 50 ASN HD22 H 1 7.033 0.030 . 2 . . . . . 50 ASN HD22 . 10338 1 586 . 1 1 50 50 ASN C C 13 173.590 0.300 . 1 . . . . . 50 ASN C . 10338 1 587 . 1 1 50 50 ASN CA C 13 51.530 0.300 . 1 . . . . . 50 ASN CA . 10338 1 588 . 1 1 50 50 ASN CB C 13 37.190 0.300 . 1 . . . . . 50 ASN CB . 10338 1 589 . 1 1 50 50 ASN N N 15 118.568 0.300 . 1 . . . . . 50 ASN N . 10338 1 590 . 1 1 50 50 ASN ND2 N 15 111.945 0.300 . 1 . . . . . 50 ASN ND2 . 10338 1 591 . 1 1 51 51 PRO HA H 1 4.219 0.030 . 1 . . . . . 51 PRO HA . 10338 1 592 . 1 1 51 51 PRO HB2 H 1 1.697 0.030 . 2 . . . . . 51 PRO HB2 . 10338 1 593 . 1 1 51 51 PRO HB3 H 1 2.162 0.030 . 2 . . . . . 51 PRO HB3 . 10338 1 594 . 1 1 51 51 PRO HD2 H 1 3.850 0.030 . 2 . . . . . 51 PRO HD2 . 10338 1 595 . 1 1 51 51 PRO HD3 H 1 3.601 0.030 . 2 . . . . . 51 PRO HD3 . 10338 1 596 . 1 1 51 51 PRO HG2 H 1 1.943 0.030 . 1 . . . . . 51 PRO HG2 . 10338 1 597 . 1 1 51 51 PRO HG3 H 1 1.943 0.030 . 1 . . . . . 51 PRO HG3 . 10338 1 598 . 1 1 51 51 PRO C C 13 176.633 0.300 . 1 . . . . . 51 PRO C . 10338 1 599 . 1 1 51 51 PRO CA C 13 63.151 0.300 . 1 . . . . . 51 PRO CA . 10338 1 600 . 1 1 51 51 PRO CB C 13 32.356 0.300 . 1 . . . . . 51 PRO CB . 10338 1 601 . 1 1 51 51 PRO CD C 13 50.459 0.300 . 1 . . . . . 51 PRO CD . 10338 1 602 . 1 1 51 51 PRO CG C 13 27.341 0.300 . 1 . . . . . 51 PRO CG . 10338 1 603 . 1 1 52 52 LEU H H 1 8.431 0.030 . 1 . . . . . 52 LEU H . 10338 1 604 . 1 1 52 52 LEU HA H 1 4.151 0.030 . 1 . . . . . 52 LEU HA . 10338 1 605 . 1 1 52 52 LEU HB2 H 1 1.189 0.030 . 2 . . . . . 52 LEU HB2 . 10338 1 606 . 1 1 52 52 LEU HB3 H 1 1.481 0.030 . 2 . . . . . 52 LEU HB3 . 10338 1 607 . 1 1 52 52 LEU HD11 H 1 0.322 0.030 . 1 . . . . . 52 LEU HD1 . 10338 1 608 . 1 1 52 52 LEU HD12 H 1 0.322 0.030 . 1 . . . . . 52 LEU HD1 . 10338 1 609 . 1 1 52 52 LEU HD13 H 1 0.322 0.030 . 1 . . . . . 52 LEU HD1 . 10338 1 610 . 1 1 52 52 LEU HD21 H 1 0.540 0.030 . 1 . . . . . 52 LEU HD2 . 10338 1 611 . 1 1 52 52 LEU HD22 H 1 0.540 0.030 . 1 . . . . . 52 LEU HD2 . 10338 1 612 . 1 1 52 52 LEU HD23 H 1 0.540 0.030 . 1 . . . . . 52 LEU HD2 . 10338 1 613 . 1 1 52 52 LEU HG H 1 1.105 0.030 . 1 . . . . . 52 LEU HG . 10338 1 614 . 1 1 52 52 LEU C C 13 175.839 0.300 . 1 . . . . . 52 LEU C . 10338 1 615 . 1 1 52 52 LEU CA C 13 55.074 0.300 . 1 . . . . . 52 LEU CA . 10338 1 616 . 1 1 52 52 LEU CB C 13 42.741 0.300 . 1 . . . . . 52 LEU CB . 10338 1 617 . 1 1 52 52 LEU CD1 C 13 24.957 0.300 . 2 . . . . . 52 LEU CD1 . 10338 1 618 . 1 1 52 52 LEU CD2 C 13 23.560 0.300 . 2 . . . . . 52 LEU CD2 . 10338 1 619 . 1 1 52 52 LEU CG C 13 26.888 0.300 . 1 . . . . . 52 LEU CG . 10338 1 620 . 1 1 52 52 LEU N N 15 123.229 0.300 . 1 . . . . . 52 LEU N . 10338 1 621 . 1 1 53 53 ILE H H 1 8.309 0.030 . 1 . . . . . 53 ILE H . 10338 1 622 . 1 1 53 53 ILE HA H 1 4.075 0.030 . 1 . . . . . 53 ILE HA . 10338 1 623 . 1 1 53 53 ILE HB H 1 1.788 0.030 . 1 . . . . . 53 ILE HB . 10338 1 624 . 1 1 53 53 ILE HD11 H 1 0.777 0.030 . 1 . . . . . 53 ILE HD1 . 10338 1 625 . 1 1 53 53 ILE HD12 H 1 0.777 0.030 . 1 . . . . . 53 ILE HD1 . 10338 1 626 . 1 1 53 53 ILE HD13 H 1 0.777 0.030 . 1 . . . . . 53 ILE HD1 . 10338 1 627 . 1 1 53 53 ILE HG12 H 1 1.409 0.030 . 2 . . . . . 53 ILE HG12 . 10338 1 628 . 1 1 53 53 ILE HG13 H 1 1.075 0.030 . 2 . . . . . 53 ILE HG13 . 10338 1 629 . 1 1 53 53 ILE HG21 H 1 0.832 0.030 . 1 . . . . . 53 ILE HG2 . 10338 1 630 . 1 1 53 53 ILE HG22 H 1 0.832 0.030 . 1 . . . . . 53 ILE HG2 . 10338 1 631 . 1 1 53 53 ILE HG23 H 1 0.832 0.030 . 1 . . . . . 53 ILE HG2 . 10338 1 632 . 1 1 53 53 ILE C C 13 174.684 0.300 . 1 . . . . . 53 ILE C . 10338 1 633 . 1 1 53 53 ILE CA C 13 60.514 0.300 . 1 . . . . . 53 ILE CA . 10338 1 634 . 1 1 53 53 ILE CB C 13 38.084 0.300 . 1 . . . . . 53 ILE CB . 10338 1 635 . 1 1 53 53 ILE CD1 C 13 12.314 0.300 . 1 . . . . . 53 ILE CD1 . 10338 1 636 . 1 1 53 53 ILE CG1 C 13 26.908 0.300 . 1 . . . . . 53 ILE CG1 . 10338 1 637 . 1 1 53 53 ILE CG2 C 13 17.246 0.300 . 1 . . . . . 53 ILE CG2 . 10338 1 638 . 1 1 53 53 ILE N N 15 127.769 0.300 . 1 . . . . . 53 ILE N . 10338 1 639 . 1 1 54 54 LEU H H 1 7.808 0.030 . 1 . . . . . 54 LEU H . 10338 1 640 . 1 1 54 54 LEU HA H 1 4.123 0.030 . 1 . . . . . 54 LEU HA . 10338 1 641 . 1 1 54 54 LEU HB2 H 1 1.415 0.030 . 1 . . . . . 54 LEU HB2 . 10338 1 642 . 1 1 54 54 LEU HB3 H 1 1.415 0.030 . 1 . . . . . 54 LEU HB3 . 10338 1 643 . 1 1 54 54 LEU HD11 H 1 0.650 0.030 . 1 . . . . . 54 LEU HD1 . 10338 1 644 . 1 1 54 54 LEU HD12 H 1 0.650 0.030 . 1 . . . . . 54 LEU HD1 . 10338 1 645 . 1 1 54 54 LEU HD13 H 1 0.650 0.030 . 1 . . . . . 54 LEU HD1 . 10338 1 646 . 1 1 54 54 LEU HD21 H 1 0.552 0.030 . 1 . . . . . 54 LEU HD2 . 10338 1 647 . 1 1 54 54 LEU HD22 H 1 0.552 0.030 . 1 . . . . . 54 LEU HD2 . 10338 1 648 . 1 1 54 54 LEU HD23 H 1 0.552 0.030 . 1 . . . . . 54 LEU HD2 . 10338 1 649 . 1 1 54 54 LEU HG H 1 1.281 0.030 . 1 . . . . . 54 LEU HG . 10338 1 650 . 1 1 54 54 LEU C C 13 182.263 0.300 . 1 . . . . . 54 LEU C . 10338 1 651 . 1 1 54 54 LEU CA C 13 56.232 0.300 . 1 . . . . . 54 LEU CA . 10338 1 652 . 1 1 54 54 LEU CB C 13 43.619 0.300 . 1 . . . . . 54 LEU CB . 10338 1 653 . 1 1 54 54 LEU CD1 C 13 25.235 0.300 . 2 . . . . . 54 LEU CD1 . 10338 1 654 . 1 1 54 54 LEU CD2 C 13 23.145 0.300 . 2 . . . . . 54 LEU CD2 . 10338 1 655 . 1 1 54 54 LEU CG C 13 27.164 0.300 . 1 . . . . . 54 LEU CG . 10338 1 656 . 1 1 54 54 LEU N N 15 133.219 0.300 . 1 . . . . . 54 LEU N . 10338 1 stop_ save_