data_25909 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25909 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for in vitro GB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-26 _Entry.Accession_date 2015-11-26 _Entry.Last_release_date 2015-12-02 _Entry.Original_release_date 2015-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Teppei Ikeya . . . . 25909 2 Tomomi Hanashima . . . . 25909 3 Saori Hosoya . . . . 25909 4 Manato Shimazaki . . . . 25909 5 Shiro Ikeda . . . . 25909 6 Masaki Mishima . . . . 25909 7 Peter Guentert . . . . 25909 8 Yutaka Ito . . . . 25909 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 'not applicable' 'not applicable' . 25909 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein G B1' . 25909 'in-cell NMR' . 25909 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25909 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 25909 '15N chemical shifts' 62 25909 '1H chemical shifts' 384 25909 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 . . 2016-12-21 . original BMRB . 25909 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25910 'in-cell GB1' 25909 PDB 2N9K 'BMRB Entry Tracking System' 25909 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25909 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27910948 _Citation.Full_citation . _Citation.Title ; Improved in-cell structure determination of proteins at near-physiological concentration ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 38312 _Citation.Page_last 38312 _Citation.Year 2016 _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 Teppei Ikeya . . . . 25909 1 2 Tomomi Hanashima . . . . 25909 1 3 Saori Hosoya . . . . 25909 1 4 Manato Shimazaki . . . . 25909 1 5 Shiro Ikeda . . . . 25909 1 6 Masaki Mishima . . . . 25909 1 7 Peter Guentert . . . . 25909 1 8 Yutaka Ito . . . . 25909 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25909 _Assembly.ID 1 _Assembly.Name 'in vitro GB1' _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 . _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 $entity A . yes native no no . . . 25909 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25909 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGTYKLILNGKTLKGETTTE AVDAATAEKVFKQYANDNGV DGEWTYDDATKTFTVTE ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6258.896 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25909 1 2 2 GLY . 25909 1 3 3 THR . 25909 1 4 4 TYR . 25909 1 5 5 LYS . 25909 1 6 6 LEU . 25909 1 7 7 ILE . 25909 1 8 8 LEU . 25909 1 9 9 ASN . 25909 1 10 10 GLY . 25909 1 11 11 LYS . 25909 1 12 12 THR . 25909 1 13 13 LEU . 25909 1 14 14 LYS . 25909 1 15 15 GLY . 25909 1 16 16 GLU . 25909 1 17 17 THR . 25909 1 18 18 THR . 25909 1 19 19 THR . 25909 1 20 20 GLU . 25909 1 21 21 ALA . 25909 1 22 22 VAL . 25909 1 23 23 ASP . 25909 1 24 24 ALA . 25909 1 25 25 ALA . 25909 1 26 26 THR . 25909 1 27 27 ALA . 25909 1 28 28 GLU . 25909 1 29 29 LYS . 25909 1 30 30 VAL . 25909 1 31 31 PHE . 25909 1 32 32 LYS . 25909 1 33 33 GLN . 25909 1 34 34 TYR . 25909 1 35 35 ALA . 25909 1 36 36 ASN . 25909 1 37 37 ASP . 25909 1 38 38 ASN . 25909 1 39 39 GLY . 25909 1 40 40 VAL . 25909 1 41 41 ASP . 25909 1 42 42 GLY . 25909 1 43 43 GLU . 25909 1 44 44 TRP . 25909 1 45 45 THR . 25909 1 46 46 TYR . 25909 1 47 47 ASP . 25909 1 48 48 ASP . 25909 1 49 49 ALA . 25909 1 50 50 THR . 25909 1 51 51 LYS . 25909 1 52 52 THR . 25909 1 53 53 PHE . 25909 1 54 54 THR . 25909 1 55 55 VAL . 25909 1 56 56 THR . 25909 1 57 57 GLU . 25909 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 25909 1 . GLY 2 2 25909 1 . THR 3 3 25909 1 . TYR 4 4 25909 1 . LYS 5 5 25909 1 . LEU 6 6 25909 1 . ILE 7 7 25909 1 . LEU 8 8 25909 1 . ASN 9 9 25909 1 . GLY 10 10 25909 1 . LYS 11 11 25909 1 . THR 12 12 25909 1 . LEU 13 13 25909 1 . LYS 14 14 25909 1 . GLY 15 15 25909 1 . GLU 16 16 25909 1 . THR 17 17 25909 1 . THR 18 18 25909 1 . THR 19 19 25909 1 . GLU 20 20 25909 1 . ALA 21 21 25909 1 . VAL 22 22 25909 1 . ASP 23 23 25909 1 . ALA 24 24 25909 1 . ALA 25 25 25909 1 . THR 26 26 25909 1 . ALA 27 27 25909 1 . GLU 28 28 25909 1 . LYS 29 29 25909 1 . VAL 30 30 25909 1 . PHE 31 31 25909 1 . LYS 32 32 25909 1 . GLN 33 33 25909 1 . TYR 34 34 25909 1 . ALA 35 35 25909 1 . ASN 36 36 25909 1 . ASP 37 37 25909 1 . ASN 38 38 25909 1 . GLY 39 39 25909 1 . VAL 40 40 25909 1 . ASP 41 41 25909 1 . GLY 42 42 25909 1 . GLU 43 43 25909 1 . TRP 44 44 25909 1 . THR 45 45 25909 1 . TYR 46 46 25909 1 . ASP 47 47 25909 1 . ASP 48 48 25909 1 . ALA 49 49 25909 1 . THR 50 50 25909 1 . LYS 51 51 25909 1 . THR 52 52 25909 1 . PHE 53 53 25909 1 . THR 54 54 25909 1 . VAL 55 55 25909 1 . THR 56 56 25909 1 . GLU 57 57 25909 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 25909 _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 . 1280 organism . 'Staphylococcus aureus' firmicutes . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 25909 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 25909 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET47b . . . 25909 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25909 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Protein G B1' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25909 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25909 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25909 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 25909 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.31 . M 25909 1 pH 7.0 . pH 25909 1 pressure 1 . atm 25909 1 temperature 295 . K 25909 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25909 _Software.ID 1 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25909 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25909 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 25909 _Software.ID 2 _Software.Name AZARA _Software.Version 2.8.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 25909 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25909 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25909 _Software.ID 3 _Software.Name TALOS _Software.Version 1 _Software.Details 'talos+ version1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25909 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 25909 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 25909 _Software.ID 4 _Software.Name OPAL _Software.Version 1.4 _Software.Details 'OPALp version 1.4' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25909 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25909 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25909 _Software.ID 5 _Software.Name Molmol _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25909 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25909 5 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 25909 _Software.ID 6 _Software.Name ANSIG _Software.Version 3.3 _Software.Details 'ANSIG-for-OpenGL Version 1.0.6' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 25909 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25909 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25909 _Software.ID 7 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25909 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25909 7 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25909 _Software.ID 8 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25909 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25909 8 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 25909 _NMR_spectrometer.ID 1 _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 25909 _NMR_spectrometer_list.ID 1 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 . . . 25909 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 25909 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25909 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25909 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'Protein G B1' carbons . . . . ppm 0 internal direct 0.252 . . . . . 25909 1 H 1 'Protein G B1' protons . . . . ppm 0 internal direct 1.0 . . . . . 25909 1 N 15 'Protein G B1' nitrogen . . . . ppm 0 internal direct 0.101 . . . . . 25909 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25909 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 5 '3D HNCO' . . . 25909 1 11 '3D 1H-15N NOESY' . . . 25909 1 12 '3D 1H-13C NOESY' . . . 25909 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.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 4.564 0.020 . 1 . . . A 1 MET HA . 25909 1 2 . 1 1 1 1 MET HB2 H 1 1.877 0.020 . 2 . . . A 1 MET HB2 . 25909 1 3 . 1 1 1 1 MET HB3 H 1 1.972 0.020 . 2 . . . A 1 MET HB3 . 25909 1 4 . 1 1 1 1 MET HG2 H 1 2.436 0.020 . 2 . . . A 1 MET HG2 . 25909 1 5 . 1 1 1 1 MET HG3 H 1 2.522 0.020 . 2 . . . A 1 MET HG3 . 25909 1 6 . 1 1 1 1 MET HE1 H 1 1.993 0.020 . 1 . . . A 1 MET HE1 . 25909 1 7 . 1 1 1 1 MET HE2 H 1 1.993 0.020 . 1 . . . A 1 MET HE2 . 25909 1 8 . 1 1 1 1 MET HE3 H 1 1.993 0.020 . 1 . . . A 1 MET HE3 . 25909 1 9 . 1 1 1 1 MET C C 13 175.906 0.400 . 1 . . . A 1 MET C . 25909 1 10 . 1 1 1 1 MET CA C 13 53.806 0.400 . 1 . . . A 1 MET CA . 25909 1 11 . 1 1 1 1 MET CB C 13 33.765 0.400 . 1 . . . A 1 MET CB . 25909 1 12 . 1 1 1 1 MET CG C 13 31.965 0.400 . 1 . . . A 1 MET CG . 25909 1 13 . 1 1 1 1 MET CE C 13 17.087 0.400 . 1 . . . A 1 MET CE . 25909 1 14 . 1 1 1 1 MET N N 15 129.993 0.400 . 1 . . . A 1 MET N . 25909 1 15 . 1 1 2 2 GLY H H 1 8.503 0.020 . 1 . . . A 2 GLY H . 25909 1 16 . 1 1 2 2 GLY HA2 H 1 3.677 0.020 . 2 . . . A 2 GLY HA2 . 25909 1 17 . 1 1 2 2 GLY HA3 H 1 4.365 0.020 . 2 . . . A 2 GLY HA3 . 25909 1 18 . 1 1 2 2 GLY C C 13 171.605 0.400 . 1 . . . A 2 GLY C . 25909 1 19 . 1 1 2 2 GLY CA C 13 44.309 0.400 . 1 . . . A 2 GLY CA . 25909 1 20 . 1 1 2 2 GLY N N 15 113.784 0.400 . 1 . . . A 2 GLY N . 25909 1 21 . 1 1 3 3 THR H H 1 8.120 0.020 . 1 . . . A 3 THR H . 25909 1 22 . 1 1 3 3 THR HA H 1 4.847 0.020 . 1 . . . A 3 THR HA . 25909 1 23 . 1 1 3 3 THR HB H 1 3.804 0.020 . 1 . . . A 3 THR HB . 25909 1 24 . 1 1 3 3 THR HG21 H 1 1.141 0.020 . 1 . . . A 3 THR HG21 . 25909 1 25 . 1 1 3 3 THR HG22 H 1 1.141 0.020 . 1 . . . A 3 THR HG22 . 25909 1 26 . 1 1 3 3 THR HG23 H 1 1.141 0.020 . 1 . . . A 3 THR HG23 . 25909 1 27 . 1 1 3 3 THR C C 13 174.049 0.400 . 1 . . . A 3 THR C . 25909 1 28 . 1 1 3 3 THR CA C 13 62.606 0.400 . 1 . . . A 3 THR CA . 25909 1 29 . 1 1 3 3 THR CB C 13 69.335 0.400 . 1 . . . A 3 THR CB . 25909 1 30 . 1 1 3 3 THR CG2 C 13 21.579 0.400 . 1 . . . A 3 THR CG2 . 25909 1 31 . 1 1 3 3 THR N N 15 118.175 0.400 . 1 . . . A 3 THR N . 25909 1 32 . 1 1 4 4 TYR H H 1 9.322 0.020 . 1 . . . A 4 TYR H . 25909 1 33 . 1 1 4 4 TYR HA H 1 5.286 0.020 . 1 . . . A 4 TYR HA . 25909 1 34 . 1 1 4 4 TYR HB2 H 1 2.763 0.020 . 2 . . . A 4 TYR HB2 . 25909 1 35 . 1 1 4 4 TYR HB3 H 1 3.297 0.020 . 2 . . . A 4 TYR HB3 . 25909 1 36 . 1 1 4 4 TYR HD1 H 1 7.136 0.020 . 1 . . . A 4 TYR HD1 . 25909 1 37 . 1 1 4 4 TYR HD2 H 1 7.136 0.020 . 1 . . . A 4 TYR HD2 . 25909 1 38 . 1 1 4 4 TYR HE1 H 1 6.944 0.020 . 1 . . . A 4 TYR HE1 . 25909 1 39 . 1 1 4 4 TYR HE2 H 1 6.944 0.020 . 1 . . . A 4 TYR HE2 . 25909 1 40 . 1 1 4 4 TYR C C 13 174.343 0.400 . 1 . . . A 4 TYR C . 25909 1 41 . 1 1 4 4 TYR CA C 13 56.604 0.400 . 1 . . . A 4 TYR CA . 25909 1 42 . 1 1 4 4 TYR CB C 13 42.726 0.400 . 1 . . . A 4 TYR CB . 25909 1 43 . 1 1 4 4 TYR CD1 C 13 133.371 0.400 . 1 . . . A 4 TYR CD1 . 25909 1 44 . 1 1 4 4 TYR CD2 C 13 133.097 0.400 . 1 . . . A 4 TYR CD2 . 25909 1 45 . 1 1 4 4 TYR CE1 C 13 117.476 0.400 . 1 . . . A 4 TYR CE1 . 25909 1 46 . 1 1 4 4 TYR CE2 C 13 117.460 0.400 . 1 . . . A 4 TYR CE2 . 25909 1 47 . 1 1 4 4 TYR N N 15 128.383 0.400 . 1 . . . A 4 TYR N . 25909 1 48 . 1 1 5 5 LYS H H 1 9.119 0.020 . 1 . . . A 5 LYS H . 25909 1 49 . 1 1 5 5 LYS HA H 1 5.170 0.020 . 1 . . . A 5 LYS HA . 25909 1 50 . 1 1 5 5 LYS HB2 H 1 1.795 0.020 . 2 . . . A 5 LYS HB2 . 25909 1 51 . 1 1 5 5 LYS HB3 H 1 1.987 0.020 . 2 . . . A 5 LYS HB3 . 25909 1 52 . 1 1 5 5 LYS HG2 H 1 1.271 0.020 . 2 . . . A 5 LYS HG2 . 25909 1 53 . 1 1 5 5 LYS HG3 H 1 1.406 0.020 . 2 . . . A 5 LYS HG3 . 25909 1 54 . 1 1 5 5 LYS HD2 H 1 1.555 0.020 . 2 . . . A 5 LYS HD2 . 25909 1 55 . 1 1 5 5 LYS HD3 H 1 1.555 0.020 . 2 . . . A 5 LYS HD3 . 25909 1 56 . 1 1 5 5 LYS HE2 H 1 2.705 0.020 . 2 . . . A 5 LYS HE2 . 25909 1 57 . 1 1 5 5 LYS HE3 H 1 2.794 0.020 . 2 . . . A 5 LYS HE3 . 25909 1 58 . 1 1 5 5 LYS C C 13 172.719 0.400 . 1 . . . A 5 LYS C . 25909 1 59 . 1 1 5 5 LYS CA C 13 54.879 0.400 . 1 . . . A 5 LYS CA . 25909 1 60 . 1 1 5 5 LYS CB C 13 35.767 0.400 . 1 . . . A 5 LYS CB . 25909 1 61 . 1 1 5 5 LYS CG C 13 25.366 0.400 . 1 . . . A 5 LYS CG . 25909 1 62 . 1 1 5 5 LYS CD C 13 28.945 0.400 . 1 . . . A 5 LYS CD . 25909 1 63 . 1 1 5 5 LYS CE C 13 41.768 0.400 . 1 . . . A 5 LYS CE . 25909 1 64 . 1 1 5 5 LYS N N 15 124.578 0.400 . 1 . . . A 5 LYS N . 25909 1 65 . 1 1 6 6 LEU H H 1 8.571 0.020 . 1 . . . A 6 LEU H . 25909 1 66 . 1 1 6 6 LEU HA H 1 4.861 0.020 . 1 . . . A 6 LEU HA . 25909 1 67 . 1 1 6 6 LEU HB2 H 1 -1.182 0.020 . 2 . . . A 6 LEU HB2 . 25909 1 68 . 1 1 6 6 LEU HB3 H 1 0.703 0.020 . 2 . . . A 6 LEU HB3 . 25909 1 69 . 1 1 6 6 LEU HG H 1 0.809 0.020 . 1 . . . A 6 LEU HG . 25909 1 70 . 1 1 6 6 LEU HD11 H 1 0.471 0.020 . 2 . . . A 6 LEU HD11 . 25909 1 71 . 1 1 6 6 LEU HD12 H 1 0.471 0.020 . 2 . . . A 6 LEU HD12 . 25909 1 72 . 1 1 6 6 LEU HD13 H 1 0.471 0.020 . 2 . . . A 6 LEU HD13 . 25909 1 73 . 1 1 6 6 LEU HD21 H 1 0.528 0.020 . 2 . . . A 6 LEU HD21 . 25909 1 74 . 1 1 6 6 LEU HD22 H 1 0.528 0.020 . 2 . . . A 6 LEU HD22 . 25909 1 75 . 1 1 6 6 LEU HD23 H 1 0.528 0.020 . 2 . . . A 6 LEU HD23 . 25909 1 76 . 1 1 6 6 LEU C C 13 174.539 0.400 . 1 . . . A 6 LEU C . 25909 1 77 . 1 1 6 6 LEU CA C 13 52.515 0.400 . 1 . . . A 6 LEU CA . 25909 1 78 . 1 1 6 6 LEU CB C 13 42.445 0.400 . 1 . . . A 6 LEU CB . 25909 1 79 . 1 1 6 6 LEU CG C 13 26.944 0.400 . 1 . . . A 6 LEU CG . 25909 1 80 . 1 1 6 6 LEU CD1 C 13 24.389 0.400 . 1 . . . A 6 LEU CD1 . 25909 1 81 . 1 1 6 6 LEU CD2 C 13 25.792 0.400 . 1 . . . A 6 LEU CD2 . 25909 1 82 . 1 1 6 6 LEU N N 15 128.438 0.400 . 1 . . . A 6 LEU N . 25909 1 83 . 1 1 7 7 ILE H H 1 9.061 0.020 . 1 . . . A 7 ILE H . 25909 1 84 . 1 1 7 7 ILE HA H 1 4.248 0.020 . 1 . . . A 7 ILE HA . 25909 1 85 . 1 1 7 7 ILE HB H 1 1.941 0.020 . 1 . . . A 7 ILE HB . 25909 1 86 . 1 1 7 7 ILE HG12 H 1 1.030 0.020 . 2 . . . A 7 ILE HG12 . 25909 1 87 . 1 1 7 7 ILE HG13 H 1 1.350 0.020 . 2 . . . A 7 ILE HG13 . 25909 1 88 . 1 1 7 7 ILE HG21 H 1 0.739 0.020 . 1 . . . A 7 ILE HG21 . 25909 1 89 . 1 1 7 7 ILE HG22 H 1 0.739 0.020 . 1 . . . A 7 ILE HG22 . 25909 1 90 . 1 1 7 7 ILE HG23 H 1 0.739 0.020 . 1 . . . A 7 ILE HG23 . 25909 1 91 . 1 1 7 7 ILE HD11 H 1 0.707 0.020 . 1 . . . A 7 ILE HD11 . 25909 1 92 . 1 1 7 7 ILE HD12 H 1 0.707 0.020 . 1 . . . A 7 ILE HD12 . 25909 1 93 . 1 1 7 7 ILE HD13 H 1 0.707 0.020 . 1 . . . A 7 ILE HD13 . 25909 1 94 . 1 1 7 7 ILE C C 13 174.648 0.400 . 1 . . . A 7 ILE C . 25909 1 95 . 1 1 7 7 ILE CA C 13 60.133 0.400 . 1 . . . A 7 ILE CA . 25909 1 96 . 1 1 7 7 ILE CB C 13 37.871 0.400 . 1 . . . A 7 ILE CB . 25909 1 97 . 1 1 7 7 ILE CG1 C 13 27.143 0.400 . 1 . . . A 7 ILE CG1 . 25909 1 98 . 1 1 7 7 ILE CG2 C 13 16.934 0.400 . 1 . . . A 7 ILE CG2 . 25909 1 99 . 1 1 7 7 ILE CD1 C 13 12.532 0.400 . 1 . . . A 7 ILE CD1 . 25909 1 100 . 1 1 7 7 ILE N N 15 128.107 0.400 . 1 . . . A 7 ILE N . 25909 1 101 . 1 1 8 8 LEU H H 1 8.677 0.020 . 1 . . . A 8 LEU H . 25909 1 102 . 1 1 8 8 LEU HA H 1 4.405 0.020 . 1 . . . A 8 LEU HA . 25909 1 103 . 1 1 8 8 LEU HB2 H 1 1.297 0.020 . 2 . . . A 8 LEU HB2 . 25909 1 104 . 1 1 8 8 LEU HB3 H 1 1.400 0.020 . 2 . . . A 8 LEU HB3 . 25909 1 105 . 1 1 8 8 LEU HG H 1 1.234 0.020 . 1 . . . A 8 LEU HG . 25909 1 106 . 1 1 8 8 LEU HD11 H 1 0.697 0.020 . 2 . . . A 8 LEU HD11 . 25909 1 107 . 1 1 8 8 LEU HD12 H 1 0.697 0.020 . 2 . . . A 8 LEU HD12 . 25909 1 108 . 1 1 8 8 LEU HD13 H 1 0.697 0.020 . 2 . . . A 8 LEU HD13 . 25909 1 109 . 1 1 8 8 LEU HD21 H 1 0.707 0.020 . 2 . . . A 8 LEU HD21 . 25909 1 110 . 1 1 8 8 LEU HD22 H 1 0.707 0.020 . 2 . . . A 8 LEU HD22 . 25909 1 111 . 1 1 8 8 LEU HD23 H 1 0.707 0.020 . 2 . . . A 8 LEU HD23 . 25909 1 112 . 1 1 8 8 LEU C C 13 174.761 0.400 . 1 . . . A 8 LEU C . 25909 1 113 . 1 1 8 8 LEU CA C 13 54.269 0.400 . 1 . . . A 8 LEU CA . 25909 1 114 . 1 1 8 8 LEU CB C 13 41.895 0.400 . 1 . . . A 8 LEU CB . 25909 1 115 . 1 1 8 8 LEU CG C 13 27.264 0.400 . 1 . . . A 8 LEU CG . 25909 1 116 . 1 1 8 8 LEU CD1 C 13 25.506 0.400 . 1 . . . A 8 LEU CD1 . 25909 1 117 . 1 1 8 8 LEU CD2 C 13 25.758 0.400 . 1 . . . A 8 LEU CD2 . 25909 1 118 . 1 1 8 8 LEU N N 15 127.513 0.400 . 1 . . . A 8 LEU N . 25909 1 119 . 1 1 9 9 ASN H H 1 8.882 0.020 . 1 . . . A 9 ASN H . 25909 1 120 . 1 1 9 9 ASN HA H 1 5.232 0.020 . 1 . . . A 9 ASN HA . 25909 1 121 . 1 1 9 9 ASN HB2 H 1 2.462 0.020 . 2 . . . A 9 ASN HB2 . 25909 1 122 . 1 1 9 9 ASN HB3 H 1 2.961 0.020 . 2 . . . A 9 ASN HB3 . 25909 1 123 . 1 1 9 9 ASN HD21 H 1 6.747 0.020 . 2 . . . A 9 ASN HD21 . 25909 1 124 . 1 1 9 9 ASN HD22 H 1 7.122 0.020 . 2 . . . A 9 ASN HD22 . 25909 1 125 . 1 1 9 9 ASN C C 13 175.764 0.400 . 1 . . . A 9 ASN C . 25909 1 126 . 1 1 9 9 ASN CA C 13 50.764 0.400 . 1 . . . A 9 ASN CA . 25909 1 127 . 1 1 9 9 ASN CB C 13 37.628 0.400 . 1 . . . A 9 ASN CB . 25909 1 128 . 1 1 9 9 ASN N N 15 128.294 0.400 . 1 . . . A 9 ASN N . 25909 1 129 . 1 1 9 9 ASN ND2 N 15 113.146 0.400 . 1 . . . A 9 ASN ND2 . 25909 1 130 . 1 1 10 10 GLY H H 1 7.891 0.020 . 1 . . . A 10 GLY H . 25909 1 131 . 1 1 10 10 GLY HA2 H 1 3.999 0.020 . 2 . . . A 10 GLY HA2 . 25909 1 132 . 1 1 10 10 GLY HA3 H 1 4.351 0.020 . 2 . . . A 10 GLY HA3 . 25909 1 133 . 1 1 10 10 GLY C C 13 173.460 0.400 . 1 . . . A 10 GLY C . 25909 1 134 . 1 1 10 10 GLY CA C 13 44.610 0.400 . 1 . . . A 10 GLY CA . 25909 1 135 . 1 1 10 10 GLY N N 15 111.495 0.400 . 1 . . . A 10 GLY N . 25909 1 136 . 1 1 11 11 LYS H H 1 9.480 0.020 . 1 . . . A 11 LYS H . 25909 1 137 . 1 1 11 11 LYS HA H 1 4.013 0.020 . 1 . . . A 11 LYS HA . 25909 1 138 . 1 1 11 11 LYS HB2 H 1 1.778 0.020 . 2 . . . A 11 LYS HB2 . 25909 1 139 . 1 1 11 11 LYS HB3 H 1 1.778 0.020 . 2 . . . A 11 LYS HB3 . 25909 1 140 . 1 1 11 11 LYS HG2 H 1 1.420 0.020 . 2 . . . A 11 LYS HG2 . 25909 1 141 . 1 1 11 11 LYS HG3 H 1 1.420 0.020 . 2 . . . A 11 LYS HG3 . 25909 1 142 . 1 1 11 11 LYS HD2 H 1 1.620 0.020 . 2 . . . A 11 LYS HD2 . 25909 1 143 . 1 1 11 11 LYS HD3 H 1 1.620 0.020 . 2 . . . A 11 LYS HD3 . 25909 1 144 . 1 1 11 11 LYS HE2 H 1 2.940 0.020 . 2 . . . A 11 LYS HE2 . 25909 1 145 . 1 1 11 11 LYS HE3 H 1 2.940 0.020 . 2 . . . A 11 LYS HE3 . 25909 1 146 . 1 1 11 11 LYS C C 13 178.927 0.400 . 1 . . . A 11 LYS C . 25909 1 147 . 1 1 11 11 LYS CA C 13 58.952 0.400 . 1 . . . A 11 LYS CA . 25909 1 148 . 1 1 11 11 LYS CB C 13 32.461 0.400 . 1 . . . A 11 LYS CB . 25909 1 149 . 1 1 11 11 LYS CG C 13 25.438 0.400 . 1 . . . A 11 LYS CG . 25909 1 150 . 1 1 11 11 LYS CD C 13 28.812 0.400 . 1 . . . A 11 LYS CD . 25909 1 151 . 1 1 11 11 LYS CE C 13 41.892 0.400 . 1 . . . A 11 LYS CE . 25909 1 152 . 1 1 11 11 LYS N N 15 122.984 0.400 . 1 . . . A 11 LYS N . 25909 1 153 . 1 1 12 12 THR H H 1 8.793 0.020 . 1 . . . A 12 THR H . 25909 1 154 . 1 1 12 12 THR HA H 1 4.339 0.020 . 1 . . . A 12 THR HA . 25909 1 155 . 1 1 12 12 THR HB H 1 4.187 0.020 . 1 . . . A 12 THR HB . 25909 1 156 . 1 1 12 12 THR HG21 H 1 1.088 0.020 . 1 . . . A 12 THR HG21 . 25909 1 157 . 1 1 12 12 THR HG22 H 1 1.088 0.020 . 1 . . . A 12 THR HG22 . 25909 1 158 . 1 1 12 12 THR HG23 H 1 1.088 0.020 . 1 . . . A 12 THR HG23 . 25909 1 159 . 1 1 12 12 THR C C 13 173.729 0.400 . 1 . . . A 12 THR C . 25909 1 160 . 1 1 12 12 THR CA C 13 61.658 0.400 . 1 . . . A 12 THR CA . 25909 1 161 . 1 1 12 12 THR CB C 13 69.583 0.400 . 1 . . . A 12 THR CB . 25909 1 162 . 1 1 12 12 THR CG2 C 13 21.634 0.400 . 1 . . . A 12 THR CG2 . 25909 1 163 . 1 1 12 12 THR N N 15 110.265 0.400 . 1 . . . A 12 THR N . 25909 1 164 . 1 1 13 13 LEU H H 1 7.334 0.020 . 1 . . . A 13 LEU H . 25909 1 165 . 1 1 13 13 LEU HA H 1 4.410 0.020 . 1 . . . A 13 LEU HA . 25909 1 166 . 1 1 13 13 LEU HB2 H 1 1.366 0.020 . 2 . . . A 13 LEU HB2 . 25909 1 167 . 1 1 13 13 LEU HB3 H 1 1.515 0.020 . 2 . . . A 13 LEU HB3 . 25909 1 168 . 1 1 13 13 LEU HG H 1 1.363 0.020 . 1 . . . A 13 LEU HG . 25909 1 169 . 1 1 13 13 LEU HD11 H 1 0.746 0.020 . 2 . . . A 13 LEU HD11 . 25909 1 170 . 1 1 13 13 LEU HD12 H 1 0.746 0.020 . 2 . . . A 13 LEU HD12 . 25909 1 171 . 1 1 13 13 LEU HD13 H 1 0.746 0.020 . 2 . . . A 13 LEU HD13 . 25909 1 172 . 1 1 13 13 LEU HD21 H 1 0.836 0.020 . 2 . . . A 13 LEU HD21 . 25909 1 173 . 1 1 13 13 LEU HD22 H 1 0.836 0.020 . 2 . . . A 13 LEU HD22 . 25909 1 174 . 1 1 13 13 LEU HD23 H 1 0.836 0.020 . 2 . . . A 13 LEU HD23 . 25909 1 175 . 1 1 13 13 LEU C C 13 173.266 0.400 . 1 . . . A 13 LEU C . 25909 1 176 . 1 1 13 13 LEU CA C 13 54.964 0.400 . 1 . . . A 13 LEU CA . 25909 1 177 . 1 1 13 13 LEU CB C 13 43.175 0.400 . 1 . . . A 13 LEU CB . 25909 1 178 . 1 1 13 13 LEU CG C 13 27.276 0.400 . 1 . . . A 13 LEU CG . 25909 1 179 . 1 1 13 13 LEU CD1 C 13 25.236 0.400 . 1 . . . A 13 LEU CD1 . 25909 1 180 . 1 1 13 13 LEU CD2 C 13 24.002 0.400 . 1 . . . A 13 LEU CD2 . 25909 1 181 . 1 1 13 13 LEU N N 15 127.370 0.400 . 1 . . . A 13 LEU N . 25909 1 182 . 1 1 14 14 LYS H H 1 8.099 0.020 . 1 . . . A 14 LYS H . 25909 1 183 . 1 1 14 14 LYS HA H 1 5.119 0.020 . 1 . . . A 14 LYS HA . 25909 1 184 . 1 1 14 14 LYS HB2 H 1 1.668 0.020 . 2 . . . A 14 LYS HB2 . 25909 1 185 . 1 1 14 14 LYS HB3 H 1 1.852 0.020 . 2 . . . A 14 LYS HB3 . 25909 1 186 . 1 1 14 14 LYS HG2 H 1 1.416 0.020 . 2 . . . A 14 LYS HG2 . 25909 1 187 . 1 1 14 14 LYS HG3 H 1 1.428 0.020 . 2 . . . A 14 LYS HG3 . 25909 1 188 . 1 1 14 14 LYS HD2 H 1 1.628 0.020 . 2 . . . A 14 LYS HD2 . 25909 1 189 . 1 1 14 14 LYS HD3 H 1 1.699 0.020 . 2 . . . A 14 LYS HD3 . 25909 1 190 . 1 1 14 14 LYS HE2 H 1 2.867 0.020 . 2 . . . A 14 LYS HE2 . 25909 1 191 . 1 1 14 14 LYS HE3 H 1 2.961 0.020 . 2 . . . A 14 LYS HE3 . 25909 1 192 . 1 1 14 14 LYS C C 13 176.389 0.400 . 1 . . . A 14 LYS C . 25909 1 193 . 1 1 14 14 LYS CA C 13 53.488 0.400 . 1 . . . A 14 LYS CA . 25909 1 194 . 1 1 14 14 LYS CB C 13 34.608 0.400 . 1 . . . A 14 LYS CB . 25909 1 195 . 1 1 14 14 LYS CG C 13 25.168 0.400 . 1 . . . A 14 LYS CG . 25909 1 196 . 1 1 14 14 LYS CD C 13 28.943 0.400 . 1 . . . A 14 LYS CD . 25909 1 197 . 1 1 14 14 LYS CE C 13 42.557 0.400 . 1 . . . A 14 LYS CE . 25909 1 198 . 1 1 14 14 LYS N N 15 125.672 0.400 . 1 . . . A 14 LYS N . 25909 1 199 . 1 1 15 15 GLY H H 1 8.389 0.020 . 1 . . . A 15 GLY H . 25909 1 200 . 1 1 15 15 GLY HA2 H 1 4.107 0.020 . 2 . . . A 15 GLY HA2 . 25909 1 201 . 1 1 15 15 GLY HA3 H 1 4.235 0.020 . 2 . . . A 15 GLY HA3 . 25909 1 202 . 1 1 15 15 GLY C C 13 171.249 0.400 . 1 . . . A 15 GLY C . 25909 1 203 . 1 1 15 15 GLY CA C 13 44.939 0.400 . 1 . . . A 15 GLY CA . 25909 1 204 . 1 1 15 15 GLY N N 15 111.175 0.400 . 1 . . . A 15 GLY N . 25909 1 205 . 1 1 16 16 GLU H H 1 8.386 0.020 . 1 . . . A 16 GLU H . 25909 1 206 . 1 1 16 16 GLU HA H 1 5.555 0.020 . 1 . . . A 16 GLU HA . 25909 1 207 . 1 1 16 16 GLU HB2 H 1 1.889 0.020 . 2 . . . A 16 GLU HB2 . 25909 1 208 . 1 1 16 16 GLU HB3 H 1 1.795 0.020 . 2 . . . A 16 GLU HB3 . 25909 1 209 . 1 1 16 16 GLU HG2 H 1 2.086 0.020 . 2 . . . A 16 GLU HG2 . 25909 1 210 . 1 1 16 16 GLU HG3 H 1 2.086 0.020 . 2 . . . A 16 GLU HG3 . 25909 1 211 . 1 1 16 16 GLU C C 13 175.207 0.400 . 1 . . . A 16 GLU C . 25909 1 212 . 1 1 16 16 GLU CA C 13 54.559 0.400 . 1 . . . A 16 GLU CA . 25909 1 213 . 1 1 16 16 GLU CB C 13 33.709 0.400 . 1 . . . A 16 GLU CB . 25909 1 214 . 1 1 16 16 GLU CG C 13 35.759 0.400 . 1 . . . A 16 GLU CG . 25909 1 215 . 1 1 16 16 GLU N N 15 120.505 0.400 . 1 . . . A 16 GLU N . 25909 1 216 . 1 1 17 17 THR H H 1 8.668 0.020 . 1 . . . A 17 THR H . 25909 1 217 . 1 1 17 17 THR HA H 1 4.676 0.020 . 1 . . . A 17 THR HA . 25909 1 218 . 1 1 17 17 THR HB H 1 3.837 0.020 . 1 . . . A 17 THR HB . 25909 1 219 . 1 1 17 17 THR HG21 H 1 0.321 0.020 . 1 . . . A 17 THR HG21 . 25909 1 220 . 1 1 17 17 THR HG22 H 1 0.321 0.020 . 1 . . . A 17 THR HG22 . 25909 1 221 . 1 1 17 17 THR HG23 H 1 0.321 0.020 . 1 . . . A 17 THR HG23 . 25909 1 222 . 1 1 17 17 THR C C 13 171.917 0.400 . 1 . . . A 17 THR C . 25909 1 223 . 1 1 17 17 THR CA C 13 60.430 0.400 . 1 . . . A 17 THR CA . 25909 1 224 . 1 1 17 17 THR CB C 13 69.220 0.400 . 1 . . . A 17 THR CB . 25909 1 225 . 1 1 17 17 THR CG2 C 13 18.945 0.400 . 1 . . . A 17 THR CG2 . 25909 1 226 . 1 1 17 17 THR N N 15 117.606 0.400 . 1 . . . A 17 THR N . 25909 1 227 . 1 1 18 18 THR H H 1 7.996 0.020 . 1 . . . A 18 THR H . 25909 1 228 . 1 1 18 18 THR HA H 1 5.815 0.020 . 1 . . . A 18 THR HA . 25909 1 229 . 1 1 18 18 THR HB H 1 4.271 0.020 . 1 . . . A 18 THR HB . 25909 1 230 . 1 1 18 18 THR HG21 H 1 1.135 0.020 . 1 . . . A 18 THR HG21 . 25909 1 231 . 1 1 18 18 THR HG22 H 1 1.135 0.020 . 1 . . . A 18 THR HG22 . 25909 1 232 . 1 1 18 18 THR HG23 H 1 1.135 0.020 . 1 . . . A 18 THR HG23 . 25909 1 233 . 1 1 18 18 THR C C 13 174.014 0.400 . 1 . . . A 18 THR C . 25909 1 234 . 1 1 18 18 THR CA C 13 59.603 0.400 . 1 . . . A 18 THR CA . 25909 1 235 . 1 1 18 18 THR CB C 13 73.088 0.400 . 1 . . . A 18 THR CB . 25909 1 236 . 1 1 18 18 THR CG2 C 13 21.310 0.400 . 1 . . . A 18 THR CG2 . 25909 1 237 . 1 1 18 18 THR N N 15 113.479 0.400 . 1 . . . A 18 THR N . 25909 1 238 . 1 1 19 19 THR H H 1 9.066 0.020 . 1 . . . A 19 THR H . 25909 1 239 . 1 1 19 19 THR HA H 1 4.649 0.020 . 1 . . . A 19 THR HA . 25909 1 240 . 1 1 19 19 THR HB H 1 3.826 0.020 . 1 . . . A 19 THR HB . 25909 1 241 . 1 1 19 19 THR HG21 H 1 0.446 0.020 . 1 . . . A 19 THR HG21 . 25909 1 242 . 1 1 19 19 THR HG22 H 1 0.446 0.020 . 1 . . . A 19 THR HG22 . 25909 1 243 . 1 1 19 19 THR HG23 H 1 0.446 0.020 . 1 . . . A 19 THR HG23 . 25909 1 244 . 1 1 19 19 THR C C 13 171.167 0.400 . 1 . . . A 19 THR C . 25909 1 245 . 1 1 19 19 THR CA C 13 62.188 0.400 . 1 . . . A 19 THR CA . 25909 1 246 . 1 1 19 19 THR CB C 13 69.872 0.400 . 1 . . . A 19 THR CB . 25909 1 247 . 1 1 19 19 THR CG2 C 13 18.988 0.400 . 1 . . . A 19 THR CG2 . 25909 1 248 . 1 1 19 19 THR N N 15 116.681 0.400 . 1 . . . A 19 THR N . 25909 1 249 . 1 1 20 20 GLU H H 1 7.960 0.020 . 1 . . . A 20 GLU H . 25909 1 250 . 1 1 20 20 GLU HA H 1 5.554 0.020 . 1 . . . A 20 GLU HA . 25909 1 251 . 1 1 20 20 GLU HB2 H 1 1.886 0.020 . 2 . . . A 20 GLU HB2 . 25909 1 252 . 1 1 20 20 GLU HB3 H 1 1.886 0.020 . 2 . . . A 20 GLU HB3 . 25909 1 253 . 1 1 20 20 GLU HG2 H 1 2.176 0.020 . 2 . . . A 20 GLU HG2 . 25909 1 254 . 1 1 20 20 GLU HG3 H 1 2.176 0.020 . 2 . . . A 20 GLU HG3 . 25909 1 255 . 1 1 20 20 GLU C C 13 176.357 0.400 . 1 . . . A 20 GLU C . 25909 1 256 . 1 1 20 20 GLU CA C 13 54.542 0.400 . 1 . . . A 20 GLU CA . 25909 1 257 . 1 1 20 20 GLU CB C 13 30.996 0.400 . 1 . . . A 20 GLU CB . 25909 1 258 . 1 1 20 20 GLU CG C 13 36.407 0.400 . 1 . . . A 20 GLU CG . 25909 1 259 . 1 1 20 20 GLU N N 15 126.457 0.400 . 1 . . . A 20 GLU N . 25909 1 260 . 1 1 21 21 ALA H H 1 9.244 0.020 . 1 . . . A 21 ALA H . 25909 1 261 . 1 1 21 21 ALA HA H 1 4.836 0.020 . 1 . . . A 21 ALA HA . 25909 1 262 . 1 1 21 21 ALA HB1 H 1 1.226 0.020 . 1 . . . A 21 ALA HB1 . 25909 1 263 . 1 1 21 21 ALA HB2 H 1 1.226 0.020 . 1 . . . A 21 ALA HB2 . 25909 1 264 . 1 1 21 21 ALA HB3 H 1 1.226 0.020 . 1 . . . A 21 ALA HB3 . 25909 1 265 . 1 1 21 21 ALA C C 13 177.348 0.400 . 1 . . . A 21 ALA C . 25909 1 266 . 1 1 21 21 ALA CA C 13 51.360 0.400 . 1 . . . A 21 ALA CA . 25909 1 267 . 1 1 21 21 ALA CB C 13 23.609 0.400 . 1 . . . A 21 ALA CB . 25909 1 268 . 1 1 21 21 ALA N N 15 126.807 0.400 . 1 . . . A 21 ALA N . 25909 1 269 . 1 1 22 22 VAL H H 1 8.552 0.020 . 1 . . . A 22 VAL H . 25909 1 270 . 1 1 22 22 VAL HA H 1 4.191 0.020 . 1 . . . A 22 VAL HA . 25909 1 271 . 1 1 22 22 VAL HB H 1 2.143 0.020 . 1 . . . A 22 VAL HB . 25909 1 272 . 1 1 22 22 VAL HG11 H 1 0.938 0.020 . 2 . . . A 22 VAL HG11 . 25909 1 273 . 1 1 22 22 VAL HG12 H 1 0.938 0.020 . 2 . . . A 22 VAL HG12 . 25909 1 274 . 1 1 22 22 VAL HG13 H 1 0.938 0.020 . 2 . . . A 22 VAL HG13 . 25909 1 275 . 1 1 22 22 VAL HG21 H 1 0.960 0.020 . 2 . . . A 22 VAL HG21 . 25909 1 276 . 1 1 22 22 VAL HG22 H 1 0.960 0.020 . 2 . . . A 22 VAL HG22 . 25909 1 277 . 1 1 22 22 VAL HG23 H 1 0.960 0.020 . 2 . . . A 22 VAL HG23 . 25909 1 278 . 1 1 22 22 VAL C C 13 174.710 0.400 . 1 . . . A 22 VAL C . 25909 1 279 . 1 1 22 22 VAL CA C 13 63.252 0.400 . 1 . . . A 22 VAL CA . 25909 1 280 . 1 1 22 22 VAL CB C 13 32.019 0.400 . 1 . . . A 22 VAL CB . 25909 1 281 . 1 1 22 22 VAL CG1 C 13 19.848 0.400 . 1 . . . A 22 VAL CG1 . 25909 1 282 . 1 1 22 22 VAL CG2 C 13 21.014 0.400 . 1 . . . A 22 VAL CG2 . 25909 1 283 . 1 1 22 22 VAL N N 15 117.285 0.400 . 1 . . . A 22 VAL N . 25909 1 284 . 1 1 23 23 ASP H H 1 7.240 0.020 . 1 . . . A 23 ASP H . 25909 1 285 . 1 1 23 23 ASP HA H 1 4.595 0.020 . 1 . . . A 23 ASP HA . 25909 1 286 . 1 1 23 23 ASP HB2 H 1 2.984 0.020 . 2 . . . A 23 ASP HB2 . 25909 1 287 . 1 1 23 23 ASP HB3 H 1 2.984 0.020 . 2 . . . A 23 ASP HB3 . 25909 1 288 . 1 1 23 23 ASP C C 13 174.498 0.400 . 1 . . . A 23 ASP C . 25909 1 289 . 1 1 23 23 ASP CA C 13 52.285 0.400 . 1 . . . A 23 ASP CA . 25909 1 290 . 1 1 23 23 ASP CB C 13 41.722 0.400 . 1 . . . A 23 ASP CB . 25909 1 291 . 1 1 23 23 ASP N N 15 116.261 0.400 . 1 . . . A 23 ASP N . 25909 1 292 . 1 1 24 24 ALA H H 1 8.343 0.020 . 1 . . . A 24 ALA H . 25909 1 293 . 1 1 24 24 ALA HA H 1 3.375 0.020 . 1 . . . A 24 ALA HA . 25909 1 294 . 1 1 24 24 ALA HB1 H 1 1.183 0.020 . 1 . . . A 24 ALA HB1 . 25909 1 295 . 1 1 24 24 ALA HB2 H 1 1.183 0.020 . 1 . . . A 24 ALA HB2 . 25909 1 296 . 1 1 24 24 ALA HB3 H 1 1.183 0.020 . 1 . . . A 24 ALA HB3 . 25909 1 297 . 1 1 24 24 ALA C C 13 179.088 0.400 . 1 . . . A 24 ALA C . 25909 1 298 . 1 1 24 24 ALA CA C 13 54.461 0.400 . 1 . . . A 24 ALA CA . 25909 1 299 . 1 1 24 24 ALA CB C 13 17.338 0.400 . 1 . . . A 24 ALA CB . 25909 1 300 . 1 1 24 24 ALA N N 15 122.884 0.400 . 1 . . . A 24 ALA N . 25909 1 301 . 1 1 25 25 ALA H H 1 8.016 0.020 . 1 . . . A 25 ALA H . 25909 1 302 . 1 1 25 25 ALA HA H 1 3.913 0.020 . 1 . . . A 25 ALA HA . 25909 1 303 . 1 1 25 25 ALA HB1 H 1 1.236 0.020 . 1 . . . A 25 ALA HB1 . 25909 1 304 . 1 1 25 25 ALA HB2 H 1 1.236 0.020 . 1 . . . A 25 ALA HB2 . 25909 1 305 . 1 1 25 25 ALA HB3 H 1 1.236 0.020 . 1 . . . A 25 ALA HB3 . 25909 1 306 . 1 1 25 25 ALA C C 13 180.786 0.400 . 1 . . . A 25 ALA C . 25909 1 307 . 1 1 25 25 ALA CA C 13 54.583 0.400 . 1 . . . A 25 ALA CA . 25909 1 308 . 1 1 25 25 ALA CB C 13 17.785 0.400 . 1 . . . A 25 ALA CB . 25909 1 309 . 1 1 25 25 ALA N N 15 122.133 0.400 . 1 . . . A 25 ALA N . 25909 1 310 . 1 1 26 26 THR H H 1 8.287 0.020 . 1 . . . A 26 THR H . 25909 1 311 . 1 1 26 26 THR HA H 1 3.646 0.020 . 1 . . . A 26 THR HA . 25909 1 312 . 1 1 26 26 THR HB H 1 3.956 0.020 . 1 . . . A 26 THR HB . 25909 1 313 . 1 1 26 26 THR HG21 H 1 1.177 0.020 . 1 . . . A 26 THR HG21 . 25909 1 314 . 1 1 26 26 THR HG22 H 1 1.177 0.020 . 1 . . . A 26 THR HG22 . 25909 1 315 . 1 1 26 26 THR HG23 H 1 1.177 0.020 . 1 . . . A 26 THR HG23 . 25909 1 316 . 1 1 26 26 THR C C 13 176.033 0.400 . 1 . . . A 26 THR C . 25909 1 317 . 1 1 26 26 THR CA C 13 66.682 0.400 . 1 . . . A 26 THR CA . 25909 1 318 . 1 1 26 26 THR CB C 13 67.741 0.400 . 1 . . . A 26 THR CB . 25909 1 319 . 1 1 26 26 THR CG2 C 13 20.893 0.400 . 1 . . . A 26 THR CG2 . 25909 1 320 . 1 1 26 26 THR N N 15 118.229 0.400 . 1 . . . A 26 THR N . 25909 1 321 . 1 1 27 27 ALA H H 1 7.025 0.020 . 1 . . . A 27 ALA H . 25909 1 322 . 1 1 27 27 ALA HA H 1 3.037 0.020 . 1 . . . A 27 ALA HA . 25909 1 323 . 1 1 27 27 ALA HB1 H 1 0.466 0.020 . 1 . . . A 27 ALA HB1 . 25909 1 324 . 1 1 27 27 ALA HB2 H 1 0.466 0.020 . 1 . . . A 27 ALA HB2 . 25909 1 325 . 1 1 27 27 ALA HB3 H 1 0.466 0.020 . 1 . . . A 27 ALA HB3 . 25909 1 326 . 1 1 27 27 ALA C C 13 177.035 0.400 . 1 . . . A 27 ALA C . 25909 1 327 . 1 1 27 27 ALA CA C 13 54.653 0.400 . 1 . . . A 27 ALA CA . 25909 1 328 . 1 1 27 27 ALA CB C 13 17.244 0.400 . 1 . . . A 27 ALA CB . 25909 1 329 . 1 1 27 27 ALA N N 15 125.565 0.400 . 1 . . . A 27 ALA N . 25909 1 330 . 1 1 28 28 GLU H H 1 8.355 0.020 . 1 . . . A 28 GLU H . 25909 1 331 . 1 1 28 28 GLU HA H 1 2.574 0.020 . 1 . . . A 28 GLU HA . 25909 1 332 . 1 1 28 28 GLU HB2 H 1 1.789 0.020 . 2 . . . A 28 GLU HB2 . 25909 1 333 . 1 1 28 28 GLU HB3 H 1 1.904 0.020 . 2 . . . A 28 GLU HB3 . 25909 1 334 . 1 1 28 28 GLU HG2 H 1 1.536 0.020 . 2 . . . A 28 GLU HG2 . 25909 1 335 . 1 1 28 28 GLU HG3 H 1 1.536 0.020 . 2 . . . A 28 GLU HG3 . 25909 1 336 . 1 1 28 28 GLU C C 13 177.249 0.400 . 1 . . . A 28 GLU C . 25909 1 337 . 1 1 28 28 GLU CA C 13 59.465 0.400 . 1 . . . A 28 GLU CA . 25909 1 338 . 1 1 28 28 GLU CB C 13 29.046 0.400 . 1 . . . A 28 GLU CB . 25909 1 339 . 1 1 28 28 GLU CG C 13 35.686 0.400 . 1 . . . A 28 GLU CG . 25909 1 340 . 1 1 28 28 GLU N N 15 118.532 0.400 . 1 . . . A 28 GLU N . 25909 1 341 . 1 1 29 29 LYS H H 1 6.909 0.020 . 1 . . . A 29 LYS H . 25909 1 342 . 1 1 29 29 LYS HA H 1 3.672 0.020 . 1 . . . A 29 LYS HA . 25909 1 343 . 1 1 29 29 LYS HB2 H 1 1.780 0.020 . 2 . . . A 29 LYS HB2 . 25909 1 344 . 1 1 29 29 LYS HB3 H 1 1.780 0.020 . 2 . . . A 29 LYS HB3 . 25909 1 345 . 1 1 29 29 LYS HG2 H 1 1.271 0.020 . 2 . . . A 29 LYS HG2 . 25909 1 346 . 1 1 29 29 LYS HG3 H 1 1.484 0.020 . 2 . . . A 29 LYS HG3 . 25909 1 347 . 1 1 29 29 LYS HD2 H 1 1.550 0.020 . 2 . . . A 29 LYS HD2 . 25909 1 348 . 1 1 29 29 LYS HD3 H 1 1.550 0.020 . 2 . . . A 29 LYS HD3 . 25909 1 349 . 1 1 29 29 LYS HE2 H 1 2.832 0.020 . 2 . . . A 29 LYS HE2 . 25909 1 350 . 1 1 29 29 LYS HE3 H 1 2.832 0.020 . 2 . . . A 29 LYS HE3 . 25909 1 351 . 1 1 29 29 LYS C C 13 179.920 0.400 . 1 . . . A 29 LYS C . 25909 1 352 . 1 1 29 29 LYS CA C 13 59.574 0.400 . 1 . . . A 29 LYS CA . 25909 1 353 . 1 1 29 29 LYS CB C 13 32.200 0.400 . 1 . . . A 29 LYS CB . 25909 1 354 . 1 1 29 29 LYS CG C 13 24.924 0.400 . 1 . . . A 29 LYS CG . 25909 1 355 . 1 1 29 29 LYS CD C 13 29.165 0.400 . 1 . . . A 29 LYS CD . 25909 1 356 . 1 1 29 29 LYS CE C 13 41.843 0.400 . 1 . . . A 29 LYS CE . 25909 1 357 . 1 1 29 29 LYS N N 15 118.398 0.400 . 1 . . . A 29 LYS N . 25909 1 358 . 1 1 30 30 VAL H H 1 7.234 0.020 . 1 . . . A 30 VAL H . 25909 1 359 . 1 1 30 30 VAL HA H 1 3.570 0.020 . 1 . . . A 30 VAL HA . 25909 1 360 . 1 1 30 30 VAL HB H 1 1.713 0.020 . 1 . . . A 30 VAL HB . 25909 1 361 . 1 1 30 30 VAL HG11 H 1 0.757 0.020 . 2 . . . A 30 VAL HG11 . 25909 1 362 . 1 1 30 30 VAL HG12 H 1 0.757 0.020 . 2 . . . A 30 VAL HG12 . 25909 1 363 . 1 1 30 30 VAL HG13 H 1 0.757 0.020 . 2 . . . A 30 VAL HG13 . 25909 1 364 . 1 1 30 30 VAL HG21 H 1 0.857 0.020 . 2 . . . A 30 VAL HG21 . 25909 1 365 . 1 1 30 30 VAL HG22 H 1 0.857 0.020 . 2 . . . A 30 VAL HG22 . 25909 1 366 . 1 1 30 30 VAL HG23 H 1 0.857 0.020 . 2 . . . A 30 VAL HG23 . 25909 1 367 . 1 1 30 30 VAL C C 13 179.706 0.400 . 1 . . . A 30 VAL C . 25909 1 368 . 1 1 30 30 VAL CA C 13 65.767 0.400 . 1 . . . A 30 VAL CA . 25909 1 369 . 1 1 30 30 VAL CB C 13 31.583 0.400 . 1 . . . A 30 VAL CB . 25909 1 370 . 1 1 30 30 VAL CG1 C 13 20.219 0.400 . 1 . . . A 30 VAL CG1 . 25909 1 371 . 1 1 30 30 VAL CG2 C 13 21.624 0.400 . 1 . . . A 30 VAL CG2 . 25909 1 372 . 1 1 30 30 VAL N N 15 122.487 0.400 . 1 . . . A 30 VAL N . 25909 1 373 . 1 1 31 31 PHE H H 1 8.433 0.020 . 1 . . . A 31 PHE H . 25909 1 374 . 1 1 31 31 PHE HA H 1 4.729 0.020 . 1 . . . A 31 PHE HA . 25909 1 375 . 1 1 31 31 PHE HB2 H 1 2.812 0.020 . 2 . . . A 31 PHE HB2 . 25909 1 376 . 1 1 31 31 PHE HB3 H 1 3.303 0.020 . 2 . . . A 31 PHE HB3 . 25909 1 377 . 1 1 31 31 PHE HD1 H 1 6.512 0.020 . 1 . . . A 31 PHE HD1 . 25909 1 378 . 1 1 31 31 PHE HD2 H 1 6.512 0.020 . 1 . . . A 31 PHE HD2 . 25909 1 379 . 1 1 31 31 PHE HE1 H 1 7.047 0.020 . 1 . . . A 31 PHE HE1 . 25909 1 380 . 1 1 31 31 PHE HE2 H 1 7.047 0.020 . 1 . . . A 31 PHE HE2 . 25909 1 381 . 1 1 31 31 PHE HZ H 1 7.203 0.020 . 1 . . . A 31 PHE HZ . 25909 1 382 . 1 1 31 31 PHE C C 13 178.275 0.400 . 1 . . . A 31 PHE C . 25909 1 383 . 1 1 31 31 PHE CA C 13 56.017 0.400 . 1 . . . A 31 PHE CA . 25909 1 384 . 1 1 31 31 PHE CB C 13 37.205 0.400 . 1 . . . A 31 PHE CB . 25909 1 385 . 1 1 31 31 PHE CD1 C 13 129.653 0.400 . 1 . . . A 31 PHE CD1 . 25909 1 386 . 1 1 31 31 PHE CD2 C 13 129.817 0.400 . 1 . . . A 31 PHE CD2 . 25909 1 387 . 1 1 31 31 PHE CE1 C 13 130.375 0.400 . 1 . . . A 31 PHE CE1 . 25909 1 388 . 1 1 31 31 PHE CE2 C 13 130.170 0.400 . 1 . . . A 31 PHE CE2 . 25909 1 389 . 1 1 31 31 PHE CZ C 13 130.425 0.400 . 1 . . . A 31 PHE CZ . 25909 1 390 . 1 1 31 31 PHE N N 15 122.583 0.400 . 1 . . . A 31 PHE N . 25909 1 391 . 1 1 32 32 LYS H H 1 9.111 0.020 . 1 . . . A 32 LYS H . 25909 1 392 . 1 1 32 32 LYS HA H 1 4.120 0.020 . 1 . . . A 32 LYS HA . 25909 1 393 . 1 1 32 32 LYS HB2 H 1 1.513 0.020 . 2 . . . A 32 LYS HB2 . 25909 1 394 . 1 1 32 32 LYS HB3 H 1 1.619 0.020 . 2 . . . A 32 LYS HB3 . 25909 1 395 . 1 1 32 32 LYS HG2 H 1 0.444 0.020 . 2 . . . A 32 LYS HG2 . 25909 1 396 . 1 1 32 32 LYS HG3 H 1 0.786 0.020 . 2 . . . A 32 LYS HG3 . 25909 1 397 . 1 1 32 32 LYS HD2 H 1 0.987 0.020 . 2 . . . A 32 LYS HD2 . 25909 1 398 . 1 1 32 32 LYS HD3 H 1 1.064 0.020 . 2 . . . A 32 LYS HD3 . 25909 1 399 . 1 1 32 32 LYS HE2 H 1 1.585 0.020 . 2 . . . A 32 LYS HE2 . 25909 1 400 . 1 1 32 32 LYS HE3 H 1 1.862 0.020 . 2 . . . A 32 LYS HE3 . 25909 1 401 . 1 1 32 32 LYS C C 13 179.473 0.400 . 1 . . . A 32 LYS C . 25909 1 402 . 1 1 32 32 LYS CA C 13 59.602 0.400 . 1 . . . A 32 LYS CA . 25909 1 403 . 1 1 32 32 LYS CB C 13 31.416 0.400 . 1 . . . A 32 LYS CB . 25909 1 404 . 1 1 32 32 LYS CG C 13 25.522 0.400 . 1 . . . A 32 LYS CG . 25909 1 405 . 1 1 32 32 LYS CD C 13 28.668 0.400 . 1 . . . A 32 LYS CD . 25909 1 406 . 1 1 32 32 LYS CE C 13 41.150 0.400 . 1 . . . A 32 LYS CE . 25909 1 407 . 1 1 32 32 LYS N N 15 124.870 0.400 . 1 . . . A 32 LYS N . 25909 1 408 . 1 1 33 33 GLN H H 1 7.365 0.020 . 1 . . . A 33 GLN H . 25909 1 409 . 1 1 33 33 GLN HA H 1 4.000 0.020 . 1 . . . A 33 GLN HA . 25909 1 410 . 1 1 33 33 GLN HB2 H 1 2.168 0.020 . 2 . . . A 33 GLN HB2 . 25909 1 411 . 1 1 33 33 GLN HB3 H 1 2.168 0.020 . 2 . . . A 33 GLN HB3 . 25909 1 412 . 1 1 33 33 GLN HG2 H 1 2.382 0.020 . 2 . . . A 33 GLN HG2 . 25909 1 413 . 1 1 33 33 GLN HG3 H 1 2.382 0.020 . 2 . . . A 33 GLN HG3 . 25909 1 414 . 1 1 33 33 GLN HE21 H 1 6.865 0.020 . 2 . . . A 33 GLN HE21 . 25909 1 415 . 1 1 33 33 GLN HE22 H 1 7.905 0.020 . 2 . . . A 33 GLN HE22 . 25909 1 416 . 1 1 33 33 GLN C C 13 177.006 0.400 . 1 . . . A 33 GLN C . 25909 1 417 . 1 1 33 33 GLN CA C 13 58.446 0.400 . 1 . . . A 33 GLN CA . 25909 1 418 . 1 1 33 33 GLN CB C 13 28.050 0.400 . 1 . . . A 33 GLN CB . 25909 1 419 . 1 1 33 33 GLN CG C 13 33.264 0.400 . 1 . . . A 33 GLN CG . 25909 1 420 . 1 1 33 33 GLN N N 15 121.397 0.400 . 1 . . . A 33 GLN N . 25909 1 421 . 1 1 33 33 GLN NE2 N 15 117.305 0.400 . 1 . . . A 33 GLN NE2 . 25909 1 422 . 1 1 34 34 TYR H H 1 8.214 0.020 . 1 . . . A 34 TYR H . 25909 1 423 . 1 1 34 34 TYR HA H 1 4.215 0.020 . 1 . . . A 34 TYR HA . 25909 1 424 . 1 1 34 34 TYR HB2 H 1 3.250 0.020 . 2 . . . A 34 TYR HB2 . 25909 1 425 . 1 1 34 34 TYR HB3 H 1 3.250 0.020 . 2 . . . A 34 TYR HB3 . 25909 1 426 . 1 1 34 34 TYR HD1 H 1 6.924 0.020 . 1 . . . A 34 TYR HD1 . 25909 1 427 . 1 1 34 34 TYR HD2 H 1 6.924 0.020 . 1 . . . A 34 TYR HD2 . 25909 1 428 . 1 1 34 34 TYR HE1 H 1 6.681 0.020 . 1 . . . A 34 TYR HE1 . 25909 1 429 . 1 1 34 34 TYR HE2 H 1 6.681 0.020 . 1 . . . A 34 TYR HE2 . 25909 1 430 . 1 1 34 34 TYR C C 13 178.925 0.400 . 1 . . . A 34 TYR C . 25909 1 431 . 1 1 34 34 TYR CA C 13 61.675 0.400 . 1 . . . A 34 TYR CA . 25909 1 432 . 1 1 34 34 TYR CB C 13 38.476 0.400 . 1 . . . A 34 TYR CB . 25909 1 433 . 1 1 34 34 TYR CD1 C 13 132.511 0.400 . 1 . . . A 34 TYR CD1 . 25909 1 434 . 1 1 34 34 TYR CD2 C 13 132.534 0.400 . 1 . . . A 34 TYR CD2 . 25909 1 435 . 1 1 34 34 TYR CE1 C 13 117.985 0.400 . 1 . . . A 34 TYR CE1 . 25909 1 436 . 1 1 34 34 TYR CE2 C 13 117.876 0.400 . 1 . . . A 34 TYR CE2 . 25909 1 437 . 1 1 34 34 TYR N N 15 122.884 0.400 . 1 . . . A 34 TYR N . 25909 1 438 . 1 1 35 35 ALA H H 1 9.179 0.020 . 1 . . . A 35 ALA H . 25909 1 439 . 1 1 35 35 ALA HA H 1 3.764 0.020 . 1 . . . A 35 ALA HA . 25909 1 440 . 1 1 35 35 ALA HB1 H 1 1.792 0.020 . 1 . . . A 35 ALA HB1 . 25909 1 441 . 1 1 35 35 ALA HB2 H 1 1.792 0.020 . 1 . . . A 35 ALA HB2 . 25909 1 442 . 1 1 35 35 ALA HB3 H 1 1.792 0.020 . 1 . . . A 35 ALA HB3 . 25909 1 443 . 1 1 35 35 ALA C C 13 179.253 0.400 . 1 . . . A 35 ALA C . 25909 1 444 . 1 1 35 35 ALA CA C 13 56.086 0.400 . 1 . . . A 35 ALA CA . 25909 1 445 . 1 1 35 35 ALA CB C 13 17.772 0.400 . 1 . . . A 35 ALA CB . 25909 1 446 . 1 1 35 35 ALA N N 15 124.451 0.400 . 1 . . . A 35 ALA N . 25909 1 447 . 1 1 36 36 ASN H H 1 8.179 0.020 . 1 . . . A 36 ASN H . 25909 1 448 . 1 1 36 36 ASN HA H 1 4.398 0.020 . 1 . . . A 36 ASN HA . 25909 1 449 . 1 1 36 36 ASN HB2 H 1 2.891 0.020 . 2 . . . A 36 ASN HB2 . 25909 1 450 . 1 1 36 36 ASN HB3 H 1 2.891 0.020 . 2 . . . A 36 ASN HB3 . 25909 1 451 . 1 1 36 36 ASN HD21 H 1 6.934 0.020 . 2 . . . A 36 ASN HD21 . 25909 1 452 . 1 1 36 36 ASN HD22 H 1 7.585 0.020 . 2 . . . A 36 ASN HD22 . 25909 1 453 . 1 1 36 36 ASN C C 13 179.283 0.400 . 1 . . . A 36 ASN C . 25909 1 454 . 1 1 36 36 ASN CA C 13 56.772 0.400 . 1 . . . A 36 ASN CA . 25909 1 455 . 1 1 36 36 ASN CB C 13 38.714 0.400 . 1 . . . A 36 ASN CB . 25909 1 456 . 1 1 36 36 ASN N N 15 119.417 0.400 . 1 . . . A 36 ASN N . 25909 1 457 . 1 1 36 36 ASN ND2 N 15 114.202 0.400 . 1 . . . A 36 ASN ND2 . 25909 1 458 . 1 1 37 37 ASP H H 1 8.909 0.020 . 1 . . . A 37 ASP H . 25909 1 459 . 1 1 37 37 ASP HA H 1 4.307 0.020 . 1 . . . A 37 ASP HA . 25909 1 460 . 1 1 37 37 ASP HB2 H 1 2.510 0.020 . 2 . . . A 37 ASP HB2 . 25909 1 461 . 1 1 37 37 ASP HB3 H 1 2.664 0.020 . 2 . . . A 37 ASP HB3 . 25909 1 462 . 1 1 37 37 ASP C C 13 177.086 0.400 . 1 . . . A 37 ASP C . 25909 1 463 . 1 1 37 37 ASP CA C 13 56.751 0.400 . 1 . . . A 37 ASP CA . 25909 1 464 . 1 1 37 37 ASP CB C 13 39.832 0.400 . 1 . . . A 37 ASP CB . 25909 1 465 . 1 1 37 37 ASP N N 15 123.269 0.400 . 1 . . . A 37 ASP N . 25909 1 466 . 1 1 38 38 ASN H H 1 7.353 0.020 . 1 . . . A 38 ASN H . 25909 1 467 . 1 1 38 38 ASN HA H 1 4.541 0.020 . 1 . . . A 38 ASN HA . 25909 1 468 . 1 1 38 38 ASN HB2 H 1 2.056 0.020 . 2 . . . A 38 ASN HB2 . 25909 1 469 . 1 1 38 38 ASN HB3 H 1 2.641 0.020 . 2 . . . A 38 ASN HB3 . 25909 1 470 . 1 1 38 38 ASN HD21 H 1 6.250 0.020 . 2 . . . A 38 ASN HD21 . 25909 1 471 . 1 1 38 38 ASN HD22 H 1 6.601 0.020 . 2 . . . A 38 ASN HD22 . 25909 1 472 . 1 1 38 38 ASN C C 13 173.947 0.400 . 1 . . . A 38 ASN C . 25909 1 473 . 1 1 38 38 ASN CA C 13 53.606 0.400 . 1 . . . A 38 ASN CA . 25909 1 474 . 1 1 38 38 ASN CB C 13 39.856 0.400 . 1 . . . A 38 ASN CB . 25909 1 475 . 1 1 38 38 ASN N N 15 117.244 0.400 . 1 . . . A 38 ASN N . 25909 1 476 . 1 1 38 38 ASN ND2 N 15 116.791 0.400 . 1 . . . A 38 ASN ND2 . 25909 1 477 . 1 1 39 39 GLY H H 1 7.757 0.020 . 1 . . . A 39 GLY H . 25909 1 478 . 1 1 39 39 GLY HA2 H 1 3.882 0.020 . 2 . . . A 39 GLY HA2 . 25909 1 479 . 1 1 39 39 GLY C C 13 174.061 0.400 . 1 . . . A 39 GLY C . 25909 1 480 . 1 1 39 39 GLY CA C 13 46.675 0.400 . 1 . . . A 39 GLY CA . 25909 1 481 . 1 1 39 39 GLY N N 15 110.019 0.400 . 1 . . . A 39 GLY N . 25909 1 482 . 1 1 40 40 VAL H H 1 8.053 0.020 . 1 . . . A 40 VAL H . 25909 1 483 . 1 1 40 40 VAL HA H 1 4.120 0.020 . 1 . . . A 40 VAL HA . 25909 1 484 . 1 1 40 40 VAL HB H 1 1.672 0.020 . 1 . . . A 40 VAL HB . 25909 1 485 . 1 1 40 40 VAL HG11 H 1 0.599 0.020 . 2 . . . A 40 VAL HG11 . 25909 1 486 . 1 1 40 40 VAL HG12 H 1 0.599 0.020 . 2 . . . A 40 VAL HG12 . 25909 1 487 . 1 1 40 40 VAL HG13 H 1 0.599 0.020 . 2 . . . A 40 VAL HG13 . 25909 1 488 . 1 1 40 40 VAL HG21 H 1 0.784 0.020 . 2 . . . A 40 VAL HG21 . 25909 1 489 . 1 1 40 40 VAL HG22 H 1 0.784 0.020 . 2 . . . A 40 VAL HG22 . 25909 1 490 . 1 1 40 40 VAL HG23 H 1 0.784 0.020 . 2 . . . A 40 VAL HG23 . 25909 1 491 . 1 1 40 40 VAL C C 13 173.844 0.400 . 1 . . . A 40 VAL C . 25909 1 492 . 1 1 40 40 VAL CA C 13 61.669 0.400 . 1 . . . A 40 VAL CA . 25909 1 493 . 1 1 40 40 VAL CB C 13 33.131 0.400 . 1 . . . A 40 VAL CB . 25909 1 494 . 1 1 40 40 VAL CG1 C 13 21.342 0.400 . 1 . . . A 40 VAL CG1 . 25909 1 495 . 1 1 40 40 VAL CG2 C 13 21.652 0.400 . 1 . . . A 40 VAL CG2 . 25909 1 496 . 1 1 40 40 VAL N N 15 122.785 0.400 . 1 . . . A 40 VAL N . 25909 1 497 . 1 1 41 41 ASP H H 1 8.613 0.020 . 1 . . . A 41 ASP H . 25909 1 498 . 1 1 41 41 ASP HA H 1 4.850 0.020 . 1 . . . A 41 ASP HA . 25909 1 499 . 1 1 41 41 ASP HB2 H 1 2.525 0.020 . 2 . . . A 41 ASP HB2 . 25909 1 500 . 1 1 41 41 ASP HB3 H 1 2.703 0.020 . 2 . . . A 41 ASP HB3 . 25909 1 501 . 1 1 41 41 ASP C C 13 174.404 0.400 . 1 . . . A 41 ASP C . 25909 1 502 . 1 1 41 41 ASP CA C 13 52.471 0.400 . 1 . . . A 41 ASP CA . 25909 1 503 . 1 1 41 41 ASP CB C 13 42.748 0.400 . 1 . . . A 41 ASP CB . 25909 1 504 . 1 1 41 41 ASP N N 15 129.873 0.400 . 1 . . . A 41 ASP N . 25909 1 505 . 1 1 42 42 GLY H H 1 7.709 0.020 . 1 . . . A 42 GLY H . 25909 1 506 . 1 1 42 42 GLY HA2 H 1 3.536 0.020 . 2 . . . A 42 GLY HA2 . 25909 1 507 . 1 1 42 42 GLY HA3 H 1 4.277 0.020 . 2 . . . A 42 GLY HA3 . 25909 1 508 . 1 1 42 42 GLY C C 13 171.956 0.400 . 1 . . . A 42 GLY C . 25909 1 509 . 1 1 42 42 GLY CA C 13 45.188 0.400 . 1 . . . A 42 GLY CA . 25909 1 510 . 1 1 42 42 GLY N N 15 109.027 0.400 . 1 . . . A 42 GLY N . 25909 1 511 . 1 1 43 43 GLU H H 1 8.128 0.020 . 1 . . . A 43 GLU H . 25909 1 512 . 1 1 43 43 GLU HA H 1 4.651 0.020 . 1 . . . A 43 GLU HA . 25909 1 513 . 1 1 43 43 GLU HB2 H 1 1.922 0.020 . 2 . . . A 43 GLU HB2 . 25909 1 514 . 1 1 43 43 GLU HB3 H 1 2.013 0.020 . 2 . . . A 43 GLU HB3 . 25909 1 515 . 1 1 43 43 GLU HG2 H 1 2.198 0.020 . 2 . . . A 43 GLU HG2 . 25909 1 516 . 1 1 43 43 GLU HG3 H 1 2.311 0.020 . 2 . . . A 43 GLU HG3 . 25909 1 517 . 1 1 43 43 GLU C C 13 176.951 0.400 . 1 . . . A 43 GLU C . 25909 1 518 . 1 1 43 43 GLU CA C 13 55.444 0.400 . 1 . . . A 43 GLU CA . 25909 1 519 . 1 1 43 43 GLU CB C 13 31.302 0.400 . 1 . . . A 43 GLU CB . 25909 1 520 . 1 1 43 43 GLU CG C 13 36.090 0.400 . 1 . . . A 43 GLU CG . 25909 1 521 . 1 1 43 43 GLU N N 15 122.515 0.400 . 1 . . . A 43 GLU N . 25909 1 522 . 1 1 44 44 TRP H H 1 9.332 0.020 . 1 . . . A 44 TRP H . 25909 1 523 . 1 1 44 44 TRP HA H 1 5.315 0.020 . 1 . . . A 44 TRP HA . 25909 1 524 . 1 1 44 44 TRP HB2 H 1 3.110 0.020 . 2 . . . A 44 TRP HB2 . 25909 1 525 . 1 1 44 44 TRP HB3 H 1 3.321 0.020 . 2 . . . A 44 TRP HB3 . 25909 1 526 . 1 1 44 44 TRP HD1 H 1 7.530 0.020 . 1 . . . A 44 TRP HD1 . 25909 1 527 . 1 1 44 44 TRP HE1 H 1 10.486 0.020 . 1 . . . A 44 TRP HE1 . 25909 1 528 . 1 1 44 44 TRP HE3 H 1 7.575 0.020 . 1 . . . A 44 TRP HE3 . 25909 1 529 . 1 1 44 44 TRP HZ2 H 1 7.296 0.020 . 1 . . . A 44 TRP HZ2 . 25909 1 530 . 1 1 44 44 TRP HZ3 H 1 6.564 0.020 . 1 . . . A 44 TRP HZ3 . 25909 1 531 . 1 1 44 44 TRP HH2 H 1 6.693 0.020 . 1 . . . A 44 TRP HH2 . 25909 1 532 . 1 1 44 44 TRP C C 13 176.970 0.400 . 1 . . . A 44 TRP C . 25909 1 533 . 1 1 44 44 TRP CA C 13 57.712 0.400 . 1 . . . A 44 TRP CA . 25909 1 534 . 1 1 44 44 TRP CB C 13 30.175 0.400 . 1 . . . A 44 TRP CB . 25909 1 535 . 1 1 44 44 TRP CD1 C 13 126.912 0.400 . 1 . . . A 44 TRP CD1 . 25909 1 536 . 1 1 44 44 TRP CE2 C 13 151.510 0.400 . 1 . . . A 44 TRP CE2 . 25909 1 537 . 1 1 44 44 TRP CE3 C 13 119.194 0.400 . 1 . . . A 44 TRP CE3 . 25909 1 538 . 1 1 44 44 TRP CZ2 C 13 114.136 0.400 . 1 . . . A 44 TRP CZ2 . 25909 1 539 . 1 1 44 44 TRP CZ3 C 13 120.460 0.400 . 1 . . . A 44 TRP CZ3 . 25909 1 540 . 1 1 44 44 TRP CH2 C 13 122.802 0.400 . 1 . . . A 44 TRP CH2 . 25909 1 541 . 1 1 44 44 TRP N N 15 130.281 0.400 . 1 . . . A 44 TRP N . 25909 1 542 . 1 1 44 44 TRP NE1 N 15 132.596 0.400 . 1 . . . A 44 TRP NE1 . 25909 1 543 . 1 1 45 45 THR H H 1 9.248 0.020 . 1 . . . A 45 THR H . 25909 1 544 . 1 1 45 45 THR HA H 1 4.778 0.020 . 1 . . . A 45 THR HA . 25909 1 545 . 1 1 45 45 THR HB H 1 4.200 0.020 . 1 . . . A 45 THR HB . 25909 1 546 . 1 1 45 45 THR HG21 H 1 1.150 0.020 . 1 . . . A 45 THR HG21 . 25909 1 547 . 1 1 45 45 THR HG22 H 1 1.150 0.020 . 1 . . . A 45 THR HG22 . 25909 1 548 . 1 1 45 45 THR HG23 H 1 1.150 0.020 . 1 . . . A 45 THR HG23 . 25909 1 549 . 1 1 45 45 THR C C 13 172.631 0.400 . 1 . . . A 45 THR C . 25909 1 550 . 1 1 45 45 THR CA C 13 60.375 0.400 . 1 . . . A 45 THR CA . 25909 1 551 . 1 1 45 45 THR CB C 13 72.084 0.400 . 1 . . . A 45 THR CB . 25909 1 552 . 1 1 45 45 THR CG2 C 13 21.905 0.400 . 1 . . . A 45 THR CG2 . 25909 1 553 . 1 1 45 45 THR N N 15 116.562 0.400 . 1 . . . A 45 THR N . 25909 1 554 . 1 1 46 46 TYR H H 1 8.547 0.020 . 1 . . . A 46 TYR H . 25909 1 555 . 1 1 46 46 TYR HA H 1 4.957 0.020 . 1 . . . A 46 TYR HA . 25909 1 556 . 1 1 46 46 TYR HB2 H 1 2.472 0.020 . 2 . . . A 46 TYR HB2 . 25909 1 557 . 1 1 46 46 TYR HB3 H 1 2.843 0.020 . 2 . . . A 46 TYR HB3 . 25909 1 558 . 1 1 46 46 TYR HE1 H 1 6.288 0.020 . 1 . . . A 46 TYR HE1 . 25909 1 559 . 1 1 46 46 TYR HE2 H 1 6.288 0.020 . 1 . . . A 46 TYR HE2 . 25909 1 560 . 1 1 46 46 TYR C C 13 173.219 0.400 . 1 . . . A 46 TYR C . 25909 1 561 . 1 1 46 46 TYR CA C 13 56.658 0.400 . 1 . . . A 46 TYR CA . 25909 1 562 . 1 1 46 46 TYR CB C 13 41.372 0.400 . 1 . . . A 46 TYR CB . 25909 1 563 . 1 1 46 46 TYR CD1 C 13 131.887 0.400 . 1 . . . A 46 TYR CD1 . 25909 1 564 . 1 1 46 46 TYR CD2 C 13 131.887 0.400 . 1 . . . A 46 TYR CD2 . 25909 1 565 . 1 1 46 46 TYR CE1 C 13 117.135 0.400 . 1 . . . A 46 TYR CE1 . 25909 1 566 . 1 1 46 46 TYR CE2 C 13 117.218 0.400 . 1 . . . A 46 TYR CE2 . 25909 1 567 . 1 1 46 46 TYR N N 15 122.368 0.400 . 1 . . . A 46 TYR N . 25909 1 568 . 1 1 47 47 ASP H H 1 7.651 0.020 . 1 . . . A 47 ASP H . 25909 1 569 . 1 1 47 47 ASP HA H 1 4.555 0.020 . 1 . . . A 47 ASP HA . 25909 1 570 . 1 1 47 47 ASP HB2 H 1 2.212 0.020 . 2 . . . A 47 ASP HB2 . 25909 1 571 . 1 1 47 47 ASP HB3 H 1 2.525 0.020 . 2 . . . A 47 ASP HB3 . 25909 1 572 . 1 1 47 47 ASP C C 13 174.472 0.400 . 1 . . . A 47 ASP C . 25909 1 573 . 1 1 47 47 ASP CA C 13 51.645 0.400 . 1 . . . A 47 ASP CA . 25909 1 574 . 1 1 47 47 ASP CB C 13 42.778 0.400 . 1 . . . A 47 ASP CB . 25909 1 575 . 1 1 47 47 ASP N N 15 130.300 0.400 . 1 . . . A 47 ASP N . 25909 1 576 . 1 1 48 48 ASP H H 1 8.464 0.020 . 1 . . . A 48 ASP H . 25909 1 577 . 1 1 48 48 ASP HA H 1 4.007 0.020 . 1 . . . A 48 ASP HA . 25909 1 578 . 1 1 48 48 ASP HB2 H 1 2.490 0.020 . 2 . . . A 48 ASP HB2 . 25909 1 579 . 1 1 48 48 ASP HB3 H 1 2.742 0.020 . 2 . . . A 48 ASP HB3 . 25909 1 580 . 1 1 48 48 ASP C C 13 177.982 0.400 . 1 . . . A 48 ASP C . 25909 1 581 . 1 1 48 48 ASP CA C 13 56.098 0.400 . 1 . . . A 48 ASP CA . 25909 1 582 . 1 1 48 48 ASP CB C 13 41.645 0.400 . 1 . . . A 48 ASP CB . 25909 1 583 . 1 1 48 48 ASP N N 15 126.643 0.400 . 1 . . . A 48 ASP N . 25909 1 584 . 1 1 49 49 ALA H H 1 8.245 0.020 . 1 . . . A 49 ALA H . 25909 1 585 . 1 1 49 49 ALA HA H 1 4.046 0.020 . 1 . . . A 49 ALA HA . 25909 1 586 . 1 1 49 49 ALA HB1 H 1 1.446 0.020 . 1 . . . A 49 ALA HB1 . 25909 1 587 . 1 1 49 49 ALA HB2 H 1 1.446 0.020 . 1 . . . A 49 ALA HB2 . 25909 1 588 . 1 1 49 49 ALA HB3 H 1 1.446 0.020 . 1 . . . A 49 ALA HB3 . 25909 1 589 . 1 1 49 49 ALA C C 13 179.657 0.400 . 1 . . . A 49 ALA C . 25909 1 590 . 1 1 49 49 ALA CA C 13 54.844 0.400 . 1 . . . A 49 ALA CA . 25909 1 591 . 1 1 49 49 ALA CB C 13 18.262 0.400 . 1 . . . A 49 ALA CB . 25909 1 592 . 1 1 49 49 ALA N N 15 121.761 0.400 . 1 . . . A 49 ALA N . 25909 1 593 . 1 1 50 50 THR H H 1 6.938 0.020 . 1 . . . A 50 THR H . 25909 1 594 . 1 1 50 50 THR HA H 1 4.339 0.020 . 1 . . . A 50 THR HA . 25909 1 595 . 1 1 50 50 THR HB H 1 4.356 0.020 . 1 . . . A 50 THR HB . 25909 1 596 . 1 1 50 50 THR HG21 H 1 1.019 0.020 . 1 . . . A 50 THR HG21 . 25909 1 597 . 1 1 50 50 THR HG22 H 1 1.019 0.020 . 1 . . . A 50 THR HG22 . 25909 1 598 . 1 1 50 50 THR HG23 H 1 1.019 0.020 . 1 . . . A 50 THR HG23 . 25909 1 599 . 1 1 50 50 THR C C 13 175.052 0.400 . 1 . . . A 50 THR C . 25909 1 600 . 1 1 50 50 THR CA C 13 60.154 0.400 . 1 . . . A 50 THR CA . 25909 1 601 . 1 1 50 50 THR CB C 13 69.939 0.400 . 1 . . . A 50 THR CB . 25909 1 602 . 1 1 50 50 THR CG2 C 13 21.035 0.400 . 1 . . . A 50 THR CG2 . 25909 1 603 . 1 1 50 50 THR N N 15 104.981 0.400 . 1 . . . A 50 THR N . 25909 1 604 . 1 1 51 51 LYS H H 1 7.793 0.020 . 1 . . . A 51 LYS H . 25909 1 605 . 1 1 51 51 LYS HA H 1 4.074 0.020 . 1 . . . A 51 LYS HA . 25909 1 606 . 1 1 51 51 LYS HB2 H 1 1.817 0.020 . 2 . . . A 51 LYS HB2 . 25909 1 607 . 1 1 51 51 LYS HB3 H 1 1.817 0.020 . 2 . . . A 51 LYS HB3 . 25909 1 608 . 1 1 51 51 LYS HG2 H 1 1.129 0.020 . 2 . . . A 51 LYS HG2 . 25909 1 609 . 1 1 51 51 LYS HG3 H 1 1.301 0.020 . 2 . . . A 51 LYS HG3 . 25909 1 610 . 1 1 51 51 LYS HD2 H 1 1.018 0.020 . 2 . . . A 51 LYS HD2 . 25909 1 611 . 1 1 51 51 LYS HD3 H 1 1.226 0.020 . 2 . . . A 51 LYS HD3 . 25909 1 612 . 1 1 51 51 LYS HE2 H 1 2.824 0.020 . 2 . . . A 51 LYS HE2 . 25909 1 613 . 1 1 51 51 LYS HE3 H 1 2.824 0.020 . 2 . . . A 51 LYS HE3 . 25909 1 614 . 1 1 51 51 LYS C C 13 174.849 0.400 . 1 . . . A 51 LYS C . 25909 1 615 . 1 1 51 51 LYS CA C 13 57.218 0.400 . 1 . . . A 51 LYS CA . 25909 1 616 . 1 1 51 51 LYS CB C 13 30.143 0.400 . 1 . . . A 51 LYS CB . 25909 1 617 . 1 1 51 51 LYS CG C 13 24.884 0.400 . 1 . . . A 51 LYS CG . 25909 1 618 . 1 1 51 51 LYS CD C 13 28.687 0.400 . 1 . . . A 51 LYS CD . 25909 1 619 . 1 1 51 51 LYS CE C 13 42.477 0.400 . 1 . . . A 51 LYS CE . 25909 1 620 . 1 1 51 51 LYS N N 15 125.564 0.400 . 1 . . . A 51 LYS N . 25909 1 621 . 1 1 52 52 THR H H 1 7.301 0.020 . 1 . . . A 52 THR H . 25909 1 622 . 1 1 52 52 THR HA H 1 5.451 0.020 . 1 . . . A 52 THR HA . 25909 1 623 . 1 1 52 52 THR HB H 1 3.698 0.020 . 1 . . . A 52 THR HB . 25909 1 624 . 1 1 52 52 THR HG21 H 1 0.934 0.020 . 1 . . . A 52 THR HG21 . 25909 1 625 . 1 1 52 52 THR HG22 H 1 0.934 0.020 . 1 . . . A 52 THR HG22 . 25909 1 626 . 1 1 52 52 THR HG23 H 1 0.934 0.020 . 1 . . . A 52 THR HG23 . 25909 1 627 . 1 1 52 52 THR C C 13 174.765 0.400 . 1 . . . A 52 THR C . 25909 1 628 . 1 1 52 52 THR CA C 13 61.995 0.400 . 1 . . . A 52 THR CA . 25909 1 629 . 1 1 52 52 THR CB C 13 71.689 0.400 . 1 . . . A 52 THR CB . 25909 1 630 . 1 1 52 52 THR CG2 C 13 20.636 0.400 . 1 . . . A 52 THR CG2 . 25909 1 631 . 1 1 52 52 THR N N 15 112.674 0.400 . 1 . . . A 52 THR N . 25909 1 632 . 1 1 53 53 PHE H H 1 10.394 0.020 . 1 . . . A 53 PHE H . 25909 1 633 . 1 1 53 53 PHE HA H 1 5.660 0.020 . 1 . . . A 53 PHE HA . 25909 1 634 . 1 1 53 53 PHE HB2 H 1 3.200 0.020 . 2 . . . A 53 PHE HB2 . 25909 1 635 . 1 1 53 53 PHE HB3 H 1 3.244 0.020 . 2 . . . A 53 PHE HB3 . 25909 1 636 . 1 1 53 53 PHE HD1 H 1 7.771 0.020 . 1 . . . A 53 PHE HD1 . 25909 1 637 . 1 1 53 53 PHE HD2 H 1 7.771 0.020 . 1 . . . A 53 PHE HD2 . 25909 1 638 . 1 1 53 53 PHE HE1 H 1 7.136 0.020 . 1 . . . A 53 PHE HE1 . 25909 1 639 . 1 1 53 53 PHE HE2 H 1 7.136 0.020 . 1 . . . A 53 PHE HE2 . 25909 1 640 . 1 1 53 53 PHE HZ H 1 6.969 0.020 . 1 . . . A 53 PHE HZ . 25909 1 641 . 1 1 53 53 PHE C C 13 174.538 0.400 . 1 . . . A 53 PHE C . 25909 1 642 . 1 1 53 53 PHE CA C 13 56.978 0.400 . 1 . . . A 53 PHE CA . 25909 1 643 . 1 1 53 53 PHE CB C 13 42.526 0.400 . 1 . . . A 53 PHE CB . 25909 1 644 . 1 1 53 53 PHE CD1 C 13 131.334 0.400 . 1 . . . A 53 PHE CD1 . 25909 1 645 . 1 1 53 53 PHE CD2 C 13 131.971 0.400 . 1 . . . A 53 PHE CD2 . 25909 1 646 . 1 1 53 53 PHE CE1 C 13 130.793 0.400 . 1 . . . A 53 PHE CE1 . 25909 1 647 . 1 1 53 53 PHE CE2 C 13 131.023 0.400 . 1 . . . A 53 PHE CE2 . 25909 1 648 . 1 1 53 53 PHE CZ C 13 130.874 0.400 . 1 . . . A 53 PHE CZ . 25909 1 649 . 1 1 53 53 PHE N N 15 132.958 0.400 . 1 . . . A 53 PHE N . 25909 1 650 . 1 1 54 54 THR H H 1 9.060 0.020 . 1 . . . A 54 THR H . 25909 1 651 . 1 1 54 54 THR HA H 1 5.153 0.020 . 1 . . . A 54 THR HA . 25909 1 652 . 1 1 54 54 THR HB H 1 3.778 0.020 . 1 . . . A 54 THR HB . 25909 1 653 . 1 1 54 54 THR HG21 H 1 0.916 0.020 . 1 . . . A 54 THR HG21 . 25909 1 654 . 1 1 54 54 THR HG22 H 1 0.916 0.020 . 1 . . . A 54 THR HG22 . 25909 1 655 . 1 1 54 54 THR HG23 H 1 0.916 0.020 . 1 . . . A 54 THR HG23 . 25909 1 656 . 1 1 54 54 THR C C 13 172.581 0.400 . 1 . . . A 54 THR C . 25909 1 657 . 1 1 54 54 THR CA C 13 61.341 0.400 . 1 . . . A 54 THR CA . 25909 1 658 . 1 1 54 54 THR CB C 13 70.776 0.400 . 1 . . . A 54 THR CB . 25909 1 659 . 1 1 54 54 THR CG2 C 13 20.473 0.400 . 1 . . . A 54 THR CG2 . 25909 1 660 . 1 1 54 54 THR N N 15 118.915 0.400 . 1 . . . A 54 THR N . 25909 1 661 . 1 1 55 55 VAL H H 1 8.151 0.020 . 1 . . . A 55 VAL H . 25909 1 662 . 1 1 55 55 VAL HA H 1 4.429 0.020 . 1 . . . A 55 VAL HA . 25909 1 663 . 1 1 55 55 VAL HB H 1 -0.257 0.020 . 1 . . . A 55 VAL HB . 25909 1 664 . 1 1 55 55 VAL HG11 H 1 -0.407 0.020 . 2 . . . A 55 VAL HG11 . 25909 1 665 . 1 1 55 55 VAL HG12 H 1 -0.407 0.020 . 2 . . . A 55 VAL HG12 . 25909 1 666 . 1 1 55 55 VAL HG13 H 1 -0.407 0.020 . 2 . . . A 55 VAL HG13 . 25909 1 667 . 1 1 55 55 VAL HG21 H 1 0.330 0.020 . 2 . . . A 55 VAL HG21 . 25909 1 668 . 1 1 55 55 VAL HG22 H 1 0.330 0.020 . 2 . . . A 55 VAL HG22 . 25909 1 669 . 1 1 55 55 VAL HG23 H 1 0.330 0.020 . 2 . . . A 55 VAL HG23 . 25909 1 670 . 1 1 55 55 VAL C C 13 173.179 0.400 . 1 . . . A 55 VAL C . 25909 1 671 . 1 1 55 55 VAL CA C 13 57.851 0.400 . 1 . . . A 55 VAL CA . 25909 1 672 . 1 1 55 55 VAL CB C 13 32.224 0.400 . 1 . . . A 55 VAL CB . 25909 1 673 . 1 1 55 55 VAL CG1 C 13 20.505 0.400 . 1 . . . A 55 VAL CG1 . 25909 1 674 . 1 1 55 55 VAL CG2 C 13 19.665 0.400 . 1 . . . A 55 VAL CG2 . 25909 1 675 . 1 1 55 55 VAL N N 15 125.336 0.400 . 1 . . . A 55 VAL N . 25909 1 676 . 1 1 56 56 THR H H 1 8.330 0.020 . 1 . . . A 56 THR H . 25909 1 677 . 1 1 56 56 THR HA H 1 4.625 0.020 . 1 . . . A 56 THR HA . 25909 1 678 . 1 1 56 56 THR HB H 1 3.804 0.020 . 1 . . . A 56 THR HB . 25909 1 679 . 1 1 56 56 THR HG21 H 1 1.190 0.020 . 1 . . . A 56 THR HG21 . 25909 1 680 . 1 1 56 56 THR HG22 H 1 1.190 0.020 . 1 . . . A 56 THR HG22 . 25909 1 681 . 1 1 56 56 THR HG23 H 1 1.190 0.020 . 1 . . . A 56 THR HG23 . 25909 1 682 . 1 1 56 56 THR C C 13 173.906 0.400 . 1 . . . A 56 THR C . 25909 1 683 . 1 1 56 56 THR CA C 13 61.253 0.400 . 1 . . . A 56 THR CA . 25909 1 684 . 1 1 56 56 THR CB C 13 70.692 0.400 . 1 . . . A 56 THR CB . 25909 1 685 . 1 1 56 56 THR CG2 C 13 21.118 0.400 . 1 . . . A 56 THR CG2 . 25909 1 686 . 1 1 56 56 THR N N 15 125.620 0.400 . 1 . . . A 56 THR N . 25909 1 687 . 1 1 57 57 GLU H H 1 7.774 0.020 . 1 . . . A 57 GLU H . 25909 1 688 . 1 1 57 57 GLU HA H 1 4.251 0.020 . 1 . . . A 57 GLU HA . 25909 1 689 . 1 1 57 57 GLU HB2 H 1 1.882 0.020 . 2 . . . A 57 GLU HB2 . 25909 1 690 . 1 1 57 57 GLU HB3 H 1 2.109 0.020 . 2 . . . A 57 GLU HB3 . 25909 1 691 . 1 1 57 57 GLU HG2 H 1 2.318 0.020 . 2 . . . A 57 GLU HG2 . 25909 1 692 . 1 1 57 57 GLU HG3 H 1 2.318 0.020 . 2 . . . A 57 GLU HG3 . 25909 1 693 . 1 1 57 57 GLU C C 13 180.386 0.400 . 1 . . . A 57 GLU C . 25909 1 694 . 1 1 57 57 GLU CA C 13 57.936 0.400 . 1 . . . A 57 GLU CA . 25909 1 695 . 1 1 57 57 GLU CB C 13 32.540 0.400 . 1 . . . A 57 GLU CB . 25909 1 696 . 1 1 57 57 GLU CG C 13 37.244 0.400 . 1 . . . A 57 GLU CG . 25909 1 697 . 1 1 57 57 GLU N N 15 135.851 0.400 . 1 . . . A 57 GLU N . 25909 1 stop_ save_