data_25992 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25992 _Entry.Title ; Backbone and Side Chain Chemical Shift Assignments for the myosin IIA fragment 1893-1937 (MPT) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-11 _Entry.Accession_date 2016-03-11 _Entry.Last_release_date 2016-08-19 _Entry.Original_release_date 2016-08-19 _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 solution _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 Andrea Bodor . . . . 25992 2 Gyula Palfy . . . . 25992 3 Bence Kiss . . . . 25992 4 Laszlo Nyitray . . . . 25992 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25992 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 25992 '15N chemical shifts' 41 25992 '1H chemical shifts' 251 25992 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-13 2016-03-11 update BMRB 'update entry citation' 25992 1 . . 2016-08-19 2016-03-11 original author 'original release' 25992 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25992 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27418229 _Citation.Full_citation . _Citation.Title ; Multilevel Changes in Protein Dynamics upon Complex Formation of the Calcium-Loaded S100A4 with a Nonmuscle Myosin IIA Tail Fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem. _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 19 _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 1829 _Citation.Page_last 1838 _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 Gyula Palfy . . . . 25992 1 2 Bence Kiss . . . . 25992 1 3 Laszlo Nyitray . . . . 25992 1 4 Andrea Bodor . . . . 25992 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25992 _Assembly.ID 1 _Assembly.Name MPT _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 5346.1 _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 MPT 1 $MPT A . yes 'intrinsically disordered' no no . . . 25992 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPT _Entity.Sf_category entity _Entity.Sf_framecode MPT _Entity.Entry_ID 25992 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MPT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YRKLQRELEDATETADAMNR EVSSLKNKLRRGDLPFVVPR RMARK ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation R1893Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5346.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'This fragment is a part of protein Myosin IIA heavy chain, region 1893-1937.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P35579 . Myosin-9 . . . . . . . . . . . . . . 25992 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 1893 TYR . 25992 1 2 1894 ARG . 25992 1 3 1895 LYS . 25992 1 4 1896 LEU . 25992 1 5 1897 GLN . 25992 1 6 1898 ARG . 25992 1 7 1899 GLU . 25992 1 8 1900 LEU . 25992 1 9 1901 GLU . 25992 1 10 1902 ASP . 25992 1 11 1903 ALA . 25992 1 12 1904 THR . 25992 1 13 1905 GLU . 25992 1 14 1906 THR . 25992 1 15 1907 ALA . 25992 1 16 1908 ASP . 25992 1 17 1909 ALA . 25992 1 18 1910 MET . 25992 1 19 1911 ASN . 25992 1 20 1912 ARG . 25992 1 21 1913 GLU . 25992 1 22 1914 VAL . 25992 1 23 1915 SER . 25992 1 24 1916 SER . 25992 1 25 1917 LEU . 25992 1 26 1918 LYS . 25992 1 27 1919 ASN . 25992 1 28 1920 LYS . 25992 1 29 1921 LEU . 25992 1 30 1922 ARG . 25992 1 31 1923 ARG . 25992 1 32 1924 GLY . 25992 1 33 1925 ASP . 25992 1 34 1926 LEU . 25992 1 35 1927 PRO . 25992 1 36 1928 PHE . 25992 1 37 1929 VAL . 25992 1 38 1930 VAL . 25992 1 39 1931 PRO . 25992 1 40 1932 ARG . 25992 1 41 1933 ARG . 25992 1 42 1934 MET . 25992 1 43 1935 ALA . 25992 1 44 1936 ARG . 25992 1 45 1937 LYS . 25992 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 . TYR 1 1 25992 1 . ARG 2 2 25992 1 . LYS 3 3 25992 1 . LEU 4 4 25992 1 . GLN 5 5 25992 1 . ARG 6 6 25992 1 . GLU 7 7 25992 1 . LEU 8 8 25992 1 . GLU 9 9 25992 1 . ASP 10 10 25992 1 . ALA 11 11 25992 1 . THR 12 12 25992 1 . GLU 13 13 25992 1 . THR 14 14 25992 1 . ALA 15 15 25992 1 . ASP 16 16 25992 1 . ALA 17 17 25992 1 . MET 18 18 25992 1 . ASN 19 19 25992 1 . ARG 20 20 25992 1 . GLU 21 21 25992 1 . VAL 22 22 25992 1 . SER 23 23 25992 1 . SER 24 24 25992 1 . LEU 25 25 25992 1 . LYS 26 26 25992 1 . ASN 27 27 25992 1 . LYS 28 28 25992 1 . LEU 29 29 25992 1 . ARG 30 30 25992 1 . ARG 31 31 25992 1 . GLY 32 32 25992 1 . ASP 33 33 25992 1 . LEU 34 34 25992 1 . PRO 35 35 25992 1 . PHE 36 36 25992 1 . VAL 37 37 25992 1 . VAL 38 38 25992 1 . PRO 39 39 25992 1 . ARG 40 40 25992 1 . ARG 41 41 25992 1 . MET 42 42 25992 1 . ALA 43 43 25992 1 . ARG 44 44 25992 1 . LYS 45 45 25992 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 25992 _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 $MPT . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25992 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 25992 _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 $MPT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pUBK . . . 25992 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25992 _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 MPT '[U-100% 15N]' . . 1 $MPT . . 0.7 . . mM . . . . 25992 1 2 CaCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25992 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25992 1 4 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 25992 1 5 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 25992 1 6 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 25992 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25992 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25992 _Sample.ID 2 _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 MPT '[U-100% 13C; U-100% 15N]' . . 1 $MPT . . 0.80 . . mM . . . . 25992 2 2 CaCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25992 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25992 2 4 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 25992 2 5 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 25992 2 6 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 25992 2 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25992 2 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 25992 _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' 0.1 . M 25992 1 pH 6.2 . pH 25992 1 pressure 1 . atm 25992 1 temperature 283 . K 25992 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25992 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25992 2 pH 5.4 . pH 25992 2 pressure 1 . atm 25992 2 temperature 283 . K 25992 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25992 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25992 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25992 1 processing 25992 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25992 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25992 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25992 2 'peak picking' 25992 2 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 25992 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5mm z-gradient 1H/13C/15N/2H inverse probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25992 _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 . 700 '5mm z-gradient 1H/13C/15N/2H inverse probe' . . 25992 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 25992 _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 . . . . . . . . . . . . . . . . 25992 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 4 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25992 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 25992 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25992 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25992 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25992 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 25992 _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 'The deposited data file consists chemical shift values from measurements collected on both sample_1 and sample_2.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25992 1 2 '3D HNCA' . . . 25992 1 3 '3D HN(CO)CA' . . . 25992 1 4 '3D CC(CO)NH' . . . 25992 1 5 '3D HNCACB' . . . 25992 1 6 '3D 1H-15N NOESY' . . . 25992 1 7 '3D 1H-15N TOCSY' . . . 25992 1 8 '2D 1H-13C HSQC' . . . 25992 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 TYR HA H 1 4.576 0.020 . 1 . . . . 1893 TYR HA . 25992 1 2 . 1 1 1 1 TYR CA C 13 57.973 0.3 . 1 . . . . 1893 TYR CA . 25992 1 3 . 1 1 3 3 LYS H H 1 8.548 0.020 . 1 . . . . 1895 LYS H . 25992 1 4 . 1 1 3 3 LYS HA H 1 4.261 0.020 . 1 . . . . 1895 LYS HA . 25992 1 5 . 1 1 3 3 LYS HB2 H 1 1.728 0.020 . 1 . . . . 1895 LYS HB2 . 25992 1 6 . 1 1 3 3 LYS HB3 H 1 1.728 0.020 . 1 . . . . 1895 LYS HB3 . 25992 1 7 . 1 1 3 3 LYS CA C 13 56.495 0.3 . 1 . . . . 1895 LYS CA . 25992 1 8 . 1 1 3 3 LYS CB C 13 32.844 0.3 . 1 . . . . 1895 LYS CB . 25992 1 9 . 1 1 3 3 LYS CG C 13 24.780 0.3 . 1 . . . . 1895 LYS CG . 25992 1 10 . 1 1 3 3 LYS CD C 13 29.189 0.3 . 1 . . . . 1895 LYS CD . 25992 1 11 . 1 1 3 3 LYS CE C 13 41.983 0.3 . 1 . . . . 1895 LYS CE . 25992 1 12 . 1 1 3 3 LYS N N 15 124.700 0.3 . 1 . . . . 1895 LYS N . 25992 1 13 . 1 1 4 4 LEU H H 1 8.548 0.020 . 1 . . . . 1896 LEU H . 25992 1 14 . 1 1 4 4 LEU HA H 1 4.291 0.020 . 1 . . . . 1896 LEU HA . 25992 1 15 . 1 1 4 4 LEU HB2 H 1 1.667 0.020 . 1 . . . . 1896 LEU HB2 . 25992 1 16 . 1 1 4 4 LEU HB3 H 1 1.667 0.020 . 1 . . . . 1896 LEU HB3 . 25992 1 17 . 1 1 4 4 LEU CA C 13 55.123 0.3 . 1 . . . . 1896 LEU CA . 25992 1 18 . 1 1 4 4 LEU CB C 13 42.198 0.3 . 1 . . . . 1896 LEU CB . 25992 1 19 . 1 1 4 4 LEU CG C 13 27.038 0.3 . 1 . . . . 1896 LEU CG . 25992 1 20 . 1 1 4 4 LEU CD1 C 13 24.780 0.3 . 1 . . . . 1896 LEU CD1 . 25992 1 21 . 1 1 4 4 LEU CD2 C 13 23.275 0.3 . 1 . . . . 1896 LEU CD2 . 25992 1 22 . 1 1 4 4 LEU N N 15 124.412 0.3 . 1 . . . . 1896 LEU N . 25992 1 23 . 1 1 5 5 GLN H H 1 8.489 0.020 . 1 . . . . 1897 GLN H . 25992 1 24 . 1 1 5 5 GLN HA H 1 4.276 0.020 . 1 . . . . 1897 GLN HA . 25992 1 25 . 1 1 5 5 GLN HB2 H 1 2.059 0.020 . 1 . . . . 1897 GLN HB2 . 25992 1 26 . 1 1 5 5 GLN HB3 H 1 2.059 0.020 . 1 . . . . 1897 GLN HB3 . 25992 1 27 . 1 1 5 5 GLN HG2 H 1 2.376 0.020 . 1 . . . . 1897 GLN HG2 . 25992 1 28 . 1 1 5 5 GLN HG3 H 1 2.376 0.020 . 1 . . . . 1897 GLN HG3 . 25992 1 29 . 1 1 5 5 GLN CA C 13 56.171 0.3 . 1 . . . . 1897 GLN CA . 25992 1 30 . 1 1 5 5 GLN CB C 13 29.081 0.3 . 1 . . . . 1897 GLN CB . 25992 1 31 . 1 1 5 5 GLN CG C 13 33.597 0.3 . 1 . . . . 1897 GLN CG . 25992 1 32 . 1 1 5 5 GLN N N 15 121.652 0.3 . 1 . . . . 1897 GLN N . 25992 1 33 . 1 1 6 6 ARG H H 1 8.489 0.020 . 1 . . . . 1898 ARG H . 25992 1 34 . 1 1 6 6 ARG HA H 1 4.306 0.020 . 1 . . . . 1898 ARG HA . 25992 1 35 . 1 1 6 6 ARG HB2 H 1 1.773 0.020 . 1 . . . . 1898 ARG HB2 . 25992 1 36 . 1 1 6 6 ARG HB3 H 1 1.773 0.020 . 1 . . . . 1898 ARG HB3 . 25992 1 37 . 1 1 6 6 ARG HD2 H 1 3.145 0.020 . 1 . . . . 1898 ARG HD2 . 25992 1 38 . 1 1 6 6 ARG HD3 H 1 3.145 0.020 . 1 . . . . 1898 ARG HD3 . 25992 1 39 . 1 1 6 6 ARG CA C 13 56.401 0.3 . 1 . . . . 1898 ARG CA . 25992 1 40 . 1 1 6 6 ARG CB C 13 30.586 0.3 . 1 . . . . 1898 ARG CB . 25992 1 41 . 1 1 6 6 ARG CG C 13 26.823 0.3 . 1 . . . . 1898 ARG CG . 25992 1 42 . 1 1 6 6 ARG N N 15 121.981 0.3 . 1 . . . . 1898 ARG N . 25992 1 43 . 1 1 7 7 GLU H H 1 8.625 0.020 . 1 . . . . 1899 GLU H . 25992 1 44 . 1 1 7 7 GLU HA H 1 4.261 0.020 . 1 . . . . 1899 GLU HA . 25992 1 45 . 1 1 7 7 GLU HB2 H 1 1.999 0.020 . 1 . . . . 1899 GLU HB2 . 25992 1 46 . 1 1 7 7 GLU HB3 H 1 1.999 0.020 . 1 . . . . 1899 GLU HB3 . 25992 1 47 . 1 1 7 7 GLU HG2 H 1 2.316 0.020 . 1 . . . . 1899 GLU HG2 . 25992 1 48 . 1 1 7 7 GLU HG3 H 1 2.316 0.020 . 1 . . . . 1899 GLU HG3 . 25992 1 49 . 1 1 7 7 GLU CA C 13 57.045 0.3 . 1 . . . . 1899 GLU CA . 25992 1 50 . 1 1 7 7 GLU CB C 13 29.941 0.3 . 1 . . . . 1899 GLU CB . 25992 1 51 . 1 1 7 7 GLU CG C 13 36.177 0.3 . 1 . . . . 1899 GLU CG . 25992 1 52 . 1 1 7 7 GLU N N 15 121.512 0.3 . 1 . . . . 1899 GLU N . 25992 1 53 . 1 1 8 8 LEU H H 1 8.308 0.020 . 1 . . . . 1900 LEU H . 25992 1 54 . 1 1 8 8 LEU HA H 1 4.306 0.020 . 1 . . . . 1900 LEU HA . 25992 1 55 . 1 1 8 8 LEU HB2 H 1 1.652 0.020 . 1 . . . . 1900 LEU HB2 . 25992 1 56 . 1 1 8 8 LEU HB3 H 1 1.652 0.020 . 1 . . . . 1900 LEU HB3 . 25992 1 57 . 1 1 8 8 LEU HG H 1 2.029 0.020 . 1 . . . . 1900 LEU HG . 25992 1 58 . 1 1 8 8 LEU HD11 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD1 . 25992 1 59 . 1 1 8 8 LEU HD12 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD1 . 25992 1 60 . 1 1 8 8 LEU HD13 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD1 . 25992 1 61 . 1 1 8 8 LEU HD21 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD2 . 25992 1 62 . 1 1 8 8 LEU HD22 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD2 . 25992 1 63 . 1 1 8 8 LEU HD23 H 1 0.883 0.020 . 1 . . . . 1900 LEU HD2 . 25992 1 64 . 1 1 8 8 LEU CA C 13 55.482 0.3 . 1 . . . . 1900 LEU CA . 25992 1 65 . 1 1 8 8 LEU CB C 13 42.091 0.3 . 1 . . . . 1900 LEU CB . 25992 1 66 . 1 1 8 8 LEU CG C 13 26.716 0.3 . 1 . . . . 1900 LEU CG . 25992 1 67 . 1 1 8 8 LEU CD1 C 13 24.780 0.3 . 1 . . . . 1900 LEU CD1 . 25992 1 68 . 1 1 8 8 LEU CD2 C 13 23.275 0.3 . 1 . . . . 1900 LEU CD2 . 25992 1 69 . 1 1 8 8 LEU N N 15 122.003 0.3 . 1 . . . . 1900 LEU N . 25992 1 70 . 1 1 9 9 GLU H H 1 8.410 0.020 . 1 . . . . 1901 GLU H . 25992 1 71 . 1 1 9 9 GLU HA H 1 4.231 0.020 . 1 . . . . 1901 GLU HA . 25992 1 72 . 1 1 9 9 GLU HB2 H 1 1.984 0.020 . 1 . . . . 1901 GLU HB2 . 25992 1 73 . 1 1 9 9 GLU HB3 H 1 1.984 0.020 . 1 . . . . 1901 GLU HB3 . 25992 1 74 . 1 1 9 9 GLU HG2 H 1 2.286 0.020 . 1 . . . . 1901 GLU HG2 . 25992 1 75 . 1 1 9 9 GLU HG3 H 1 2.286 0.020 . 1 . . . . 1901 GLU HG3 . 25992 1 76 . 1 1 9 9 GLU CA C 13 56.861 0.3 . 1 . . . . 1901 GLU CA . 25992 1 77 . 1 1 9 9 GLU CB C 13 29.941 0.3 . 1 . . . . 1901 GLU CB . 25992 1 78 . 1 1 9 9 GLU CG C 13 36.177 0.3 . 1 . . . . 1901 GLU CG . 25992 1 79 . 1 1 9 9 GLU N N 15 121.183 0.3 . 1 . . . . 1901 GLU N . 25992 1 80 . 1 1 10 10 ASP H H 1 8.430 0.020 . 1 . . . . 1902 ASP H . 25992 1 81 . 1 1 10 10 ASP HA H 1 4.593 0.020 . 1 . . . . 1902 ASP HA . 25992 1 82 . 1 1 10 10 ASP HB2 H 1 2.708 0.020 . 1 . . . . 1902 ASP HB2 . 25992 1 83 . 1 1 10 10 ASP HB3 H 1 2.708 0.020 . 1 . . . . 1902 ASP HB3 . 25992 1 84 . 1 1 10 10 ASP CA C 13 54.471 0.3 . 1 . . . . 1902 ASP CA . 25992 1 85 . 1 1 10 10 ASP CB C 13 41.016 0.3 . 1 . . . . 1902 ASP CB . 25992 1 86 . 1 1 10 10 ASP N N 15 121.379 0.3 . 1 . . . . 1902 ASP N . 25992 1 87 . 1 1 11 11 ALA H H 1 8.405 0.020 . 1 . . . . 1903 ALA H . 25992 1 88 . 1 1 11 11 ALA HA H 1 4.367 0.020 . 1 . . . . 1903 ALA HA . 25992 1 89 . 1 1 11 11 ALA HB1 H 1 1.434 0.020 . 1 . . . . 1903 ALA HB . 25992 1 90 . 1 1 11 11 ALA HB2 H 1 1.434 0.020 . 1 . . . . 1903 ALA HB . 25992 1 91 . 1 1 11 11 ALA HB3 H 1 1.434 0.020 . 1 . . . . 1903 ALA HB . 25992 1 92 . 1 1 11 11 ALA CA C 13 53.000 0.3 . 1 . . . . 1903 ALA CA . 25992 1 93 . 1 1 11 11 ALA CB C 13 18.867 0.3 . 1 . . . . 1903 ALA CB . 25992 1 94 . 1 1 11 11 ALA N N 15 125.122 0.3 . 1 . . . . 1903 ALA N . 25992 1 95 . 1 1 12 12 THR H H 1 8.298 0.020 . 1 . . . . 1904 THR H . 25992 1 96 . 1 1 12 12 THR HA H 1 4.306 0.020 . 1 . . . . 1904 THR HA . 25992 1 97 . 1 1 12 12 THR HB H 1 4.249 0.020 . 1 . . . . 1904 THR HB . 25992 1 98 . 1 1 12 12 THR HG21 H 1 1.234 0.020 . 1 . . . . 1904 THR HG2 . 25992 1 99 . 1 1 12 12 THR HG22 H 1 1.234 0.020 . 1 . . . . 1904 THR HG2 . 25992 1 100 . 1 1 12 12 THR HG23 H 1 1.234 0.020 . 1 . . . . 1904 THR HG2 . 25992 1 101 . 1 1 12 12 THR CA C 13 63.019 0.3 . 1 . . . . 1904 THR CA . 25992 1 102 . 1 1 12 12 THR CB C 13 69.508 0.3 . 1 . . . . 1904 THR CB . 25992 1 103 . 1 1 12 12 THR CG2 C 13 21.681 0.3 . 1 . . . . 1904 THR CG2 . 25992 1 104 . 1 1 12 12 THR N N 15 113.832 0.3 . 1 . . . . 1904 THR N . 25992 1 105 . 1 1 13 13 GLU H H 1 8.473 0.020 . 1 . . . . 1905 GLU H . 25992 1 106 . 1 1 13 13 GLU HA H 1 4.367 0.020 . 1 . . . . 1905 GLU HA . 25992 1 107 . 1 1 13 13 GLU HB2 H 1 2.044 0.020 . 1 . . . . 1905 GLU HB2 . 25992 1 108 . 1 1 13 13 GLU HB3 H 1 2.044 0.020 . 1 . . . . 1905 GLU HB3 . 25992 1 109 . 1 1 13 13 GLU HG2 H 1 2.316 0.020 . 1 . . . . 1905 GLU HG2 . 25992 1 110 . 1 1 13 13 GLU HG3 H 1 2.316 0.020 . 1 . . . . 1905 GLU HG3 . 25992 1 111 . 1 1 13 13 GLU CA C 13 57.091 0.3 . 1 . . . . 1905 GLU CA . 25992 1 112 . 1 1 13 13 GLU CB C 13 29.941 0.3 . 1 . . . . 1905 GLU CB . 25992 1 113 . 1 1 13 13 GLU CG C 13 36.161 0.3 . 1 . . . . 1905 GLU CG . 25992 1 114 . 1 1 13 13 GLU N N 15 123.241 0.3 . 1 . . . . 1905 GLU N . 25992 1 115 . 1 1 14 14 THR H H 1 8.249 0.020 . 1 . . . . 1906 THR H . 25992 1 116 . 1 1 14 14 THR HA H 1 4.352 0.020 . 1 . . . . 1906 THR HA . 25992 1 117 . 1 1 14 14 THR HB H 1 4.247 0.020 . 1 . . . . 1906 THR HB . 25992 1 118 . 1 1 14 14 THR HG21 H 1 1.229 0.020 . 1 . . . . 1906 THR HG2 . 25992 1 119 . 1 1 14 14 THR HG22 H 1 1.229 0.020 . 1 . . . . 1906 THR HG2 . 25992 1 120 . 1 1 14 14 THR HG23 H 1 1.229 0.020 . 1 . . . . 1906 THR HG2 . 25992 1 121 . 1 1 14 14 THR CA C 13 62.605 0.3 . 1 . . . . 1906 THR CA . 25992 1 122 . 1 1 14 14 THR CB C 13 69.616 0.3 . 1 . . . . 1906 THR CB . 25992 1 123 . 1 1 14 14 THR CG2 C 13 21.681 0.3 . 1 . . . . 1906 THR CG2 . 25992 1 124 . 1 1 14 14 THR N N 15 115.330 0.3 . 1 . . . . 1906 THR N . 25992 1 125 . 1 1 15 15 ALA H H 1 8.400 0.020 . 1 . . . . 1907 ALA H . 25992 1 126 . 1 1 15 15 ALA HA H 1 4.253 0.020 . 1 . . . . 1907 ALA HA . 25992 1 127 . 1 1 15 15 ALA HB1 H 1 1.438 0.020 . 1 . . . . 1907 ALA HB . 25992 1 128 . 1 1 15 15 ALA HB2 H 1 1.438 0.020 . 1 . . . . 1907 ALA HB . 25992 1 129 . 1 1 15 15 ALA HB3 H 1 1.438 0.020 . 1 . . . . 1907 ALA HB . 25992 1 130 . 1 1 15 15 ALA CA C 13 53.506 0.3 . 1 . . . . 1907 ALA CA . 25992 1 131 . 1 1 15 15 ALA CB C 13 18.652 0.3 . 1 . . . . 1907 ALA CB . 25992 1 132 . 1 1 15 15 ALA N N 15 126.015 0.3 . 1 . . . . 1907 ALA N . 25992 1 133 . 1 1 16 16 ASP H H 1 8.386 0.020 . 1 . . . . 1908 ASP H . 25992 1 134 . 1 1 16 16 ASP HA H 1 4.510 0.020 . 1 . . . . 1908 ASP HA . 25992 1 135 . 1 1 16 16 ASP HB2 H 1 2.701 0.020 . 1 . . . . 1908 ASP HB2 . 25992 1 136 . 1 1 16 16 ASP HB3 H 1 2.701 0.020 . 1 . . . . 1908 ASP HB3 . 25992 1 137 . 1 1 16 16 ASP CA C 13 55.068 0.3 . 1 . . . . 1908 ASP CA . 25992 1 138 . 1 1 16 16 ASP CB C 13 40.908 0.3 . 1 . . . . 1908 ASP CB . 25992 1 139 . 1 1 16 16 ASP N N 15 119.165 0.3 . 1 . . . . 1908 ASP N . 25992 1 140 . 1 1 17 17 ALA H H 1 8.220 0.020 . 1 . . . . 1909 ALA H . 25992 1 141 . 1 1 17 17 ALA HA H 1 4.162 0.020 . 1 . . . . 1909 ALA HA . 25992 1 142 . 1 1 17 17 ALA HB1 H 1 1.478 0.020 . 1 . . . . 1909 ALA HB . 25992 1 143 . 1 1 17 17 ALA HB2 H 1 1.478 0.020 . 1 . . . . 1909 ALA HB . 25992 1 144 . 1 1 17 17 ALA HB3 H 1 1.478 0.020 . 1 . . . . 1909 ALA HB . 25992 1 145 . 1 1 17 17 ALA CA C 13 53.782 0.3 . 1 . . . . 1909 ALA CA . 25992 1 146 . 1 1 17 17 ALA CB C 13 18.544 0.3 . 1 . . . . 1909 ALA CB . 25992 1 147 . 1 1 17 17 ALA N N 15 123.625 0.3 . 1 . . . . 1909 ALA N . 25992 1 148 . 1 1 18 18 MET H H 1 8.268 0.020 . 1 . . . . 1910 MET H . 25992 1 149 . 1 1 18 18 MET HA H 1 4.382 0.020 . 1 . . . . 1910 MET HA . 25992 1 150 . 1 1 18 18 MET HB2 H 1 2.105 0.020 . 1 . . . . 1910 MET HB2 . 25992 1 151 . 1 1 18 18 MET HB3 H 1 2.105 0.020 . 1 . . . . 1910 MET HB3 . 25992 1 152 . 1 1 18 18 MET HG2 H 1 2.587 0.020 . 1 . . . . 1910 MET HG2 . 25992 1 153 . 1 1 18 18 MET HG3 H 1 2.587 0.020 . 1 . . . . 1910 MET HG3 . 25992 1 154 . 1 1 18 18 MET CA C 13 56.311 0.3 . 1 . . . . 1910 MET CA . 25992 1 155 . 1 1 18 18 MET CB C 13 32.307 0.3 . 1 . . . . 1910 MET CB . 25992 1 156 . 1 1 18 18 MET CG C 13 31.662 0.3 . 1 . . . . 1910 MET CG . 25992 1 157 . 1 1 18 18 MET N N 15 117.667 0.3 . 1 . . . . 1910 MET N . 25992 1 158 . 1 1 19 19 ASN H H 1 8.269 0.020 . 1 . . . . 1911 ASN H . 25992 1 159 . 1 1 19 19 ASN HA H 1 4.650 0.020 . 1 . . . . 1911 ASN HA . 25992 1 160 . 1 1 19 19 ASN HB2 H 1 2.859 0.020 . 1 . . . . 1911 ASN HB2 . 25992 1 161 . 1 1 19 19 ASN HB3 H 1 2.859 0.020 . 1 . . . . 1911 ASN HB3 . 25992 1 162 . 1 1 19 19 ASN CA C 13 53.874 0.3 . 1 . . . . 1911 ASN CA . 25992 1 163 . 1 1 19 19 ASN CB C 13 38.401 0.3 . 1 . . . . 1911 ASN CB . 25992 1 164 . 1 1 19 19 ASN N N 15 118.702 0.3 . 1 . . . . 1911 ASN N . 25992 1 165 . 1 1 20 20 ARG H H 1 8.266 0.020 . 1 . . . . 1912 ARG H . 25992 1 166 . 1 1 20 20 ARG HA H 1 4.276 0.020 . 1 . . . . 1912 ARG HA . 25992 1 167 . 1 1 20 20 ARG HB2 H 1 1.863 0.020 . 1 . . . . 1912 ARG HB2 . 25992 1 168 . 1 1 20 20 ARG HB3 H 1 1.863 0.020 . 1 . . . . 1912 ARG HB3 . 25992 1 169 . 1 1 20 20 ARG CA C 13 57.091 0.3 . 1 . . . . 1912 ARG CA . 25992 1 170 . 1 1 20 20 ARG CB C 13 30.049 0.3 . 1 . . . . 1912 ARG CB . 25992 1 171 . 1 1 20 20 ARG CG C 13 27.146 0.3 . 1 . . . . 1912 ARG CG . 25992 1 172 . 1 1 20 20 ARG CD C 13 43.274 0.3 . 1 . . . . 1912 ARG CD . 25992 1 173 . 1 1 20 20 ARG N N 15 121.086 0.3 . 1 . . . . 1912 ARG N . 25992 1 174 . 1 1 21 21 GLU H H 1 8.366 0.020 . 1 . . . . 1913 GLU H . 25992 1 175 . 1 1 21 21 GLU HA H 1 4.276 0.020 . 1 . . . . 1913 GLU HA . 25992 1 176 . 1 1 21 21 GLU HB2 H 1 2.044 0.020 . 1 . . . . 1913 GLU HB2 . 25992 1 177 . 1 1 21 21 GLU HB3 H 1 2.044 0.020 . 1 . . . . 1913 GLU HB3 . 25992 1 178 . 1 1 21 21 GLU HG2 H 1 2.316 0.020 . 1 . . . . 1913 GLU HG2 . 25992 1 179 . 1 1 21 21 GLU HG3 H 1 2.316 0.020 . 1 . . . . 1913 GLU HG3 . 25992 1 180 . 1 1 21 21 GLU CA C 13 57.137 0.3 . 1 . . . . 1913 GLU CA . 25992 1 181 . 1 1 21 21 GLU CB C 13 29.834 0.3 . 1 . . . . 1913 GLU CB . 25992 1 182 . 1 1 21 21 GLU CG C 13 36.070 0.3 . 1 . . . . 1913 GLU CG . 25992 1 183 . 1 1 21 21 GLU N N 15 121.367 0.3 . 1 . . . . 1913 GLU N . 25992 1 184 . 1 1 22 22 VAL H H 1 8.263 0.020 . 1 . . . . 1914 VAL H . 25992 1 185 . 1 1 22 22 VAL HA H 1 4.050 0.020 . 1 . . . . 1914 VAL HA . 25992 1 186 . 1 1 22 22 VAL HB H 1 2.165 0.020 . 1 . . . . 1914 VAL HB . 25992 1 187 . 1 1 22 22 VAL HG11 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG1 . 25992 1 188 . 1 1 22 22 VAL HG12 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG1 . 25992 1 189 . 1 1 22 22 VAL HG13 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG1 . 25992 1 190 . 1 1 22 22 VAL HG21 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG2 . 25992 1 191 . 1 1 22 22 VAL HG22 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG2 . 25992 1 192 . 1 1 22 22 VAL HG23 H 1 0.989 0.020 . 1 . . . . 1914 VAL HG2 . 25992 1 193 . 1 1 22 22 VAL CA C 13 63.478 0.3 . 1 . . . . 1914 VAL CA . 25992 1 194 . 1 1 22 22 VAL CB C 13 32.199 0.3 . 1 . . . . 1914 VAL CB . 25992 1 195 . 1 1 22 22 VAL CG1 C 13 20.971 0.3 . 1 . . . . 1914 VAL CG1 . 25992 1 196 . 1 1 22 22 VAL CG2 C 13 20.971 0.3 . 1 . . . . 1914 VAL CG2 . 25992 1 197 . 1 1 22 22 VAL N N 15 121.066 0.3 . 1 . . . . 1914 VAL N . 25992 1 198 . 1 1 23 23 SER H H 1 8.430 0.020 . 1 . . . . 1915 SER H . 25992 1 199 . 1 1 23 23 SER HA H 1 4.404 0.020 . 1 . . . . 1915 SER HA . 25992 1 200 . 1 1 23 23 SER HB2 H 1 3.929 0.020 . 1 . . . . 1915 SER HB2 . 25992 1 201 . 1 1 23 23 SER HB3 H 1 3.929 0.020 . 1 . . . . 1915 SER HB3 . 25992 1 202 . 1 1 23 23 SER CA C 13 59.205 0.3 . 1 . . . . 1915 SER CA . 25992 1 203 . 1 1 23 23 SER CB C 13 63.240 0.3 . 1 . . . . 1915 SER CB . 25992 1 204 . 1 1 23 23 SER N N 15 118.239 0.3 . 1 . . . . 1915 SER N . 25992 1 205 . 1 1 24 24 SER H H 1 8.356 0.020 . 1 . . . . 1916 SER H . 25992 1 206 . 1 1 24 24 SER HA H 1 4.404 0.020 . 1 . . . . 1916 SER HA . 25992 1 207 . 1 1 24 24 SER HB2 H 1 3.960 0.020 . 1 . . . . 1916 SER HB2 . 25992 1 208 . 1 1 24 24 SER HB3 H 1 3.960 0.020 . 1 . . . . 1916 SER HB3 . 25992 1 209 . 1 1 24 24 SER CA C 13 59.159 0.3 . 1 . . . . 1916 SER CA . 25992 1 210 . 1 1 24 24 SER CB C 13 63.487 0.3 . 1 . . . . 1916 SER CB . 25992 1 211 . 1 1 24 24 SER N N 15 118.033 0.3 . 1 . . . . 1916 SER N . 25992 1 212 . 1 1 25 25 LEU H H 1 8.166 0.020 . 1 . . . . 1917 LEU H . 25992 1 213 . 1 1 25 25 LEU HA H 1 4.291 0.020 . 1 . . . . 1917 LEU HA . 25992 1 214 . 1 1 25 25 LEU HB2 H 1 1.682 0.020 . 1 . . . . 1917 LEU HB2 . 25992 1 215 . 1 1 25 25 LEU HB3 H 1 1.682 0.020 . 1 . . . . 1917 LEU HB3 . 25992 1 216 . 1 1 25 25 LEU HG H 1 1.622 0.020 . 1 . . . . 1917 LEU HG . 25992 1 217 . 1 1 25 25 LEU HD11 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD1 . 25992 1 218 . 1 1 25 25 LEU HD12 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD1 . 25992 1 219 . 1 1 25 25 LEU HD13 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD1 . 25992 1 220 . 1 1 25 25 LEU HD21 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD2 . 25992 1 221 . 1 1 25 25 LEU HD22 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD2 . 25992 1 222 . 1 1 25 25 LEU HD23 H 1 0.928 0.020 . 1 . . . . 1917 LEU HD2 . 25992 1 223 . 1 1 25 25 LEU CA C 13 56.125 0.3 . 1 . . . . 1917 LEU CA . 25992 1 224 . 1 1 25 25 LEU CB C 13 41.768 0.3 . 1 . . . . 1917 LEU CB . 25992 1 225 . 1 1 25 25 LEU CG C 13 26.823 0.3 . 1 . . . . 1917 LEU CG . 25992 1 226 . 1 1 25 25 LEU CD1 C 13 24.673 0.3 . 1 . . . . 1917 LEU CD1 . 25992 1 227 . 1 1 25 25 LEU CD2 C 13 23.275 0.3 . 1 . . . . 1917 LEU CD2 . 25992 1 228 . 1 1 25 25 LEU N N 15 123.341 0.3 . 1 . . . . 1917 LEU N . 25992 1 229 . 1 1 26 26 LYS H H 1 8.161 0.020 . 1 . . . . 1918 LYS H . 25992 1 230 . 1 1 26 26 LYS HA H 1 4.186 0.020 . 1 . . . . 1918 LYS HA . 25992 1 231 . 1 1 26 26 LYS HB2 H 1 1.818 0.020 . 1 . . . . 1918 LYS HB2 . 25992 1 232 . 1 1 26 26 LYS HB3 H 1 1.818 0.020 . 1 . . . . 1918 LYS HB3 . 25992 1 233 . 1 1 26 26 LYS HG2 H 1 1.426 0.020 . 1 . . . . 1918 LYS HG2 . 25992 1 234 . 1 1 26 26 LYS HG3 H 1 1.426 0.020 . 1 . . . . 1918 LYS HG3 . 25992 1 235 . 1 1 26 26 LYS CA C 13 57.228 0.3 . 1 . . . . 1918 LYS CA . 25992 1 236 . 1 1 26 26 LYS CB C 13 32.307 0.3 . 1 . . . . 1918 LYS CB . 25992 1 237 . 1 1 26 26 LYS CG C 13 24.780 0.3 . 1 . . . . 1918 LYS CG . 25992 1 238 . 1 1 26 26 LYS CD C 13 28.974 0.3 . 1 . . . . 1918 LYS CD . 25992 1 239 . 1 1 26 26 LYS CE C 13 41.983 0.3 . 1 . . . . 1918 LYS CE . 25992 1 240 . 1 1 26 26 LYS N N 15 120.149 0.3 . 1 . . . . 1918 LYS N . 25992 1 241 . 1 1 27 27 ASN H H 1 8.234 0.020 . 1 . . . . 1919 ASN H . 25992 1 242 . 1 1 27 27 ASN HA H 1 4.653 0.020 . 1 . . . . 1919 ASN HA . 25992 1 243 . 1 1 27 27 ASN HB2 H 1 2.829 0.020 . 1 . . . . 1919 ASN HB2 . 25992 1 244 . 1 1 27 27 ASN HB3 H 1 2.829 0.020 . 1 . . . . 1919 ASN HB3 . 25992 1 245 . 1 1 27 27 ASN CA C 13 53.644 0.3 . 1 . . . . 1919 ASN CA . 25992 1 246 . 1 1 27 27 ASN CB C 13 38.435 0.3 . 1 . . . . 1919 ASN CB . 25992 1 247 . 1 1 27 27 ASN N N 15 118.297 0.3 . 1 . . . . 1919 ASN N . 25992 1 248 . 1 1 28 28 LYS H H 1 8.220 0.020 . 1 . . . . 1920 LYS H . 25992 1 249 . 1 1 28 28 LYS HA H 1 4.246 0.020 . 1 . . . . 1920 LYS HA . 25992 1 250 . 1 1 28 28 LYS HB2 H 1 1.833 0.020 . 1 . . . . 1920 LYS HB2 . 25992 1 251 . 1 1 28 28 LYS HB3 H 1 1.833 0.020 . 1 . . . . 1920 LYS HB3 . 25992 1 252 . 1 1 28 28 LYS HG2 H 1 1.456 0.020 . 1 . . . . 1920 LYS HG2 . 25992 1 253 . 1 1 28 28 LYS HG3 H 1 1.456 0.020 . 1 . . . . 1920 LYS HG3 . 25992 1 254 . 1 1 28 28 LYS CA C 13 56.999 0.3 . 1 . . . . 1920 LYS CA . 25992 1 255 . 1 1 28 28 LYS CB C 13 32.629 0.3 . 1 . . . . 1920 LYS CB . 25992 1 256 . 1 1 28 28 LYS CG C 13 24.780 0.3 . 1 . . . . 1920 LYS CG . 25992 1 257 . 1 1 28 28 LYS CD C 13 28.974 0.3 . 1 . . . . 1920 LYS CD . 25992 1 258 . 1 1 28 28 LYS CE C 13 41.983 0.3 . 1 . . . . 1920 LYS CE . 25992 1 259 . 1 1 28 28 LYS N N 15 121.412 0.3 . 1 . . . . 1920 LYS N . 25992 1 260 . 1 1 29 29 LEU H H 1 8.205 0.020 . 1 . . . . 1921 LEU H . 25992 1 261 . 1 1 29 29 LEU HA H 1 4.322 0.020 . 1 . . . . 1921 LEU HA . 25992 1 262 . 1 1 29 29 LEU HB2 H 1 1.652 0.020 . 1 . . . . 1921 LEU HB2 . 25992 1 263 . 1 1 29 29 LEU HB3 H 1 1.652 0.020 . 1 . . . . 1921 LEU HB3 . 25992 1 264 . 1 1 29 29 LEU HD11 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD1 . 25992 1 265 . 1 1 29 29 LEU HD12 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD1 . 25992 1 266 . 1 1 29 29 LEU HD13 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD1 . 25992 1 267 . 1 1 29 29 LEU HD21 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD2 . 25992 1 268 . 1 1 29 29 LEU HD22 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD2 . 25992 1 269 . 1 1 29 29 LEU HD23 H 1 0.883 0.020 . 1 . . . . 1921 LEU HD2 . 25992 1 270 . 1 1 29 29 LEU CA C 13 55.344 0.3 . 1 . . . . 1921 LEU CA . 25992 1 271 . 1 1 29 29 LEU CB C 13 42.091 0.3 . 1 . . . . 1921 LEU CB . 25992 1 272 . 1 1 29 29 LEU CG C 13 26.823 0.3 . 1 . . . . 1921 LEU CG . 25992 1 273 . 1 1 29 29 LEU CD1 C 13 24.780 0.3 . 1 . . . . 1921 LEU CD1 . 25992 1 274 . 1 1 29 29 LEU CD2 C 13 23.275 0.3 . 1 . . . . 1921 LEU CD2 . 25992 1 275 . 1 1 29 29 LEU N N 15 122.031 0.3 . 1 . . . . 1921 LEU N . 25992 1 276 . 1 1 30 30 ARG H H 1 8.337 0.020 . 1 . . . . 1922 ARG H . 25992 1 277 . 1 1 30 30 ARG HA H 1 4.337 0.020 . 1 . . . . 1922 ARG HA . 25992 1 278 . 1 1 30 30 ARG HB2 H 1 1.818 0.020 . 1 . . . . 1922 ARG HB2 . 25992 1 279 . 1 1 30 30 ARG HB3 H 1 1.818 0.020 . 1 . . . . 1922 ARG HB3 . 25992 1 280 . 1 1 30 30 ARG HG2 H 1 1.667 0.020 . 1 . . . . 1922 ARG HG2 . 25992 1 281 . 1 1 30 30 ARG HG3 H 1 1.667 0.020 . 1 . . . . 1922 ARG HG3 . 25992 1 282 . 1 1 30 30 ARG CA C 13 55.988 0.3 . 1 . . . . 1922 ARG CA . 25992 1 283 . 1 1 30 30 ARG CB C 13 30.479 0.3 . 1 . . . . 1922 ARG CB . 25992 1 284 . 1 1 30 30 ARG CG C 13 26.931 0.3 . 1 . . . . 1922 ARG CG . 25992 1 285 . 1 1 30 30 ARG CD C 13 43.274 0.3 . 1 . . . . 1922 ARG CD . 25992 1 286 . 1 1 30 30 ARG N N 15 122.170 0.3 . 1 . . . . 1922 ARG N . 25992 1 287 . 1 1 31 31 ARG H H 1 8.497 0.020 . 1 . . . . 1923 ARG H . 25992 1 288 . 1 1 31 31 ARG HA H 1 4.306 0.020 . 1 . . . . 1923 ARG HA . 25992 1 289 . 1 1 31 31 ARG HB2 H 1 1.863 0.020 . 1 . . . . 1923 ARG HB2 . 25992 1 290 . 1 1 31 31 ARG HB3 H 1 1.863 0.020 . 1 . . . . 1923 ARG HB3 . 25992 1 291 . 1 1 31 31 ARG HG2 H 1 1.758 0.020 . 1 . . . . 1923 ARG HG2 . 25992 1 292 . 1 1 31 31 ARG HG3 H 1 1.758 0.020 . 1 . . . . 1923 ARG HG3 . 25992 1 293 . 1 1 31 31 ARG HD2 H 1 3.281 0.020 . 1 . . . . 1923 ARG HD2 . 25992 1 294 . 1 1 31 31 ARG HD3 H 1 3.281 0.020 . 1 . . . . 1923 ARG HD3 . 25992 1 295 . 1 1 31 31 ARG CA C 13 56.631 0.3 . 1 . . . . 1923 ARG CA . 25992 1 296 . 1 1 31 31 ARG CB C 13 30.479 0.3 . 1 . . . . 1923 ARG CB . 25992 1 297 . 1 1 31 31 ARG CG C 13 26.931 0.3 . 1 . . . . 1923 ARG CG . 25992 1 298 . 1 1 31 31 ARG N N 15 122.923 0.3 . 1 . . . . 1923 ARG N . 25992 1 299 . 1 1 32 32 GLY H H 1 8.572 0.020 . 1 . . . . 1924 GLY H . 25992 1 300 . 1 1 32 32 GLY HA2 H 1 3.955 0.020 . 1 . . . . 1924 GLY HA2 . 25992 1 301 . 1 1 32 32 GLY HA3 H 1 3.955 0.020 . 1 . . . . 1924 GLY HA3 . 25992 1 302 . 1 1 32 32 GLY CA C 13 45.209 0.3 . 1 . . . . 1924 GLY CA . 25992 1 303 . 1 1 32 32 GLY N N 15 110.311 0.3 . 1 . . . . 1924 GLY N . 25992 1 304 . 1 1 33 33 ASP H H 1 8.308 0.020 . 1 . . . . 1925 ASP H . 25992 1 305 . 1 1 33 33 ASP HA H 1 4.579 0.020 . 1 . . . . 1925 ASP HA . 25992 1 306 . 1 1 33 33 ASP HB2 H 1 2.648 0.020 . 1 . . . . 1925 ASP HB2 . 25992 1 307 . 1 1 33 33 ASP HB3 H 1 2.648 0.020 . 1 . . . . 1925 ASP HB3 . 25992 1 308 . 1 1 33 33 ASP CA C 13 54.149 0.3 . 1 . . . . 1925 ASP CA . 25992 1 309 . 1 1 33 33 ASP CB C 13 41.016 0.3 . 1 . . . . 1925 ASP CB . 25992 1 310 . 1 1 33 33 ASP N N 15 120.155 0.3 . 1 . . . . 1925 ASP N . 25992 1 311 . 1 1 34 34 LEU H H 1 8.206 0.020 . 1 . . . . 1926 LEU H . 25992 1 312 . 1 1 34 34 LEU HA H 1 4.593 0.020 . 1 . . . . 1926 LEU HA . 25992 1 313 . 1 1 34 34 LEU HB2 H 1 1.577 0.020 . 1 . . . . 1926 LEU HB2 . 25992 1 314 . 1 1 34 34 LEU HB3 H 1 1.577 0.020 . 1 . . . . 1926 LEU HB3 . 25992 1 315 . 1 1 34 34 LEU HG H 1 1.441 0.020 . 1 . . . . 1926 LEU HG . 25992 1 316 . 1 1 34 34 LEU HD11 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD1 . 25992 1 317 . 1 1 34 34 LEU HD12 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD1 . 25992 1 318 . 1 1 34 34 LEU HD13 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD1 . 25992 1 319 . 1 1 34 34 LEU HD21 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD2 . 25992 1 320 . 1 1 34 34 LEU HD22 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD2 . 25992 1 321 . 1 1 34 34 LEU HD23 H 1 0.928 0.020 . 1 . . . . 1926 LEU HD2 . 25992 1 322 . 1 1 34 34 LEU CA C 13 53.000 0.3 . 1 . . . . 1926 LEU CA . 25992 1 323 . 1 1 34 34 LEU CB C 13 41.553 0.3 . 1 . . . . 1926 LEU CB . 25992 1 324 . 1 1 34 34 LEU N N 15 123.246 0.3 . 1 . . . . 1926 LEU N . 25992 1 325 . 1 1 35 35 PRO HA H 1 4.368 0.020 . 1 . . . . 1927 PRO HA . 25992 1 326 . 1 1 35 35 PRO HD2 H 1 3.799 0.020 . 2 . . . . 1927 PRO HD2 . 25992 1 327 . 1 1 35 35 PRO HD3 H 1 3.601 0.020 . 2 . . . . 1927 PRO HD3 . 25992 1 328 . 1 1 35 35 PRO CA C 13 63.019 0.3 . 1 . . . . 1927 PRO CA . 25992 1 329 . 1 1 35 35 PRO CB C 13 31.769 0.3 . 1 . . . . 1927 PRO CB . 25992 1 330 . 1 1 35 35 PRO CG C 13 27.146 0.3 . 1 . . . . 1927 PRO CG . 25992 1 331 . 1 1 35 35 PRO CD C 13 50.262 0.3 . 1 . . . . 1927 PRO CD . 25992 1 332 . 1 1 36 36 PHE H H 1 8.317 0.020 . 1 . . . . 1928 PHE H . 25992 1 333 . 1 1 36 36 PHE HA H 1 4.593 0.020 . 1 . . . . 1928 PHE HA . 25992 1 334 . 1 1 36 36 PHE HB2 H 1 3.055 0.020 . 1 . . . . 1928 PHE HB2 . 25992 1 335 . 1 1 36 36 PHE HB3 H 1 3.055 0.020 . 1 . . . . 1928 PHE HB3 . 25992 1 336 . 1 1 36 36 PHE CA C 13 57.642 0.3 . 1 . . . . 1928 PHE CA . 25992 1 337 . 1 1 36 36 PHE CB C 13 39.510 0.3 . 1 . . . . 1928 PHE CB . 25992 1 338 . 1 1 36 36 PHE N N 15 120.905 0.3 . 1 . . . . 1928 PHE N . 25992 1 339 . 1 1 37 37 VAL H H 1 8.071 0.020 . 1 . . . . 1929 VAL H . 25992 1 340 . 1 1 37 37 VAL HA H 1 4.020 0.020 . 1 . . . . 1929 VAL HA . 25992 1 341 . 1 1 37 37 VAL HB H 1 1.909 0.020 . 1 . . . . 1929 VAL HB . 25992 1 342 . 1 1 37 37 VAL HG11 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG1 . 25992 1 343 . 1 1 37 37 VAL HG12 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG1 . 25992 1 344 . 1 1 37 37 VAL HG13 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG1 . 25992 1 345 . 1 1 37 37 VAL HG21 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG2 . 25992 1 346 . 1 1 37 37 VAL HG22 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG2 . 25992 1 347 . 1 1 37 37 VAL HG23 H 1 0.853 0.020 . 1 . . . . 1929 VAL HG2 . 25992 1 348 . 1 1 37 37 VAL CA C 13 61.732 0.3 . 1 . . . . 1929 VAL CA . 25992 1 349 . 1 1 37 37 VAL CB C 13 32.844 0.3 . 1 . . . . 1929 VAL CB . 25992 1 350 . 1 1 37 37 VAL CG1 C 13 20.802 0.3 . 1 . . . . 1929 VAL CG1 . 25992 1 351 . 1 1 37 37 VAL CG2 C 13 20.802 0.3 . 1 . . . . 1929 VAL CG2 . 25992 1 352 . 1 1 37 37 VAL N N 15 124.623 0.3 . 1 . . . . 1929 VAL N . 25992 1 353 . 1 1 38 38 VAL H H 1 8.338 0.020 . 1 . . . . 1930 VAL H . 25992 1 354 . 1 1 38 38 VAL HA H 1 4.239 0.020 . 1 . . . . 1930 VAL HA . 25992 1 355 . 1 1 38 38 VAL HB H 1 2.044 0.020 . 1 . . . . 1930 VAL HB . 25992 1 356 . 1 1 38 38 VAL HG11 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG1 . 25992 1 357 . 1 1 38 38 VAL HG12 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG1 . 25992 1 358 . 1 1 38 38 VAL HG13 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG1 . 25992 1 359 . 1 1 38 38 VAL HG21 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG2 . 25992 1 360 . 1 1 38 38 VAL HG22 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG2 . 25992 1 361 . 1 1 38 38 VAL HG23 H 1 1.034 0.020 . 1 . . . . 1930 VAL HG2 . 25992 1 362 . 1 1 38 38 VAL CA C 13 60.078 0.3 . 1 . . . . 1930 VAL CA . 25992 1 363 . 1 1 38 38 VAL CB C 13 32.199 0.3 . 1 . . . . 1930 VAL CB . 25992 1 364 . 1 1 38 38 VAL N N 15 127.146 0.3 . 1 . . . . 1930 VAL N . 25992 1 365 . 1 1 39 39 PRO HD2 H 1 3.944 0.020 . 2 . . . . 1931 PRO HD2 . 25992 1 366 . 1 1 39 39 PRO HD3 H 1 3.716 0.020 . 2 . . . . 1931 PRO HD3 . 25992 1 367 . 1 1 39 39 PRO CA C 13 62.973 0.3 . 1 . . . . 1931 PRO CA . 25992 1 368 . 1 1 39 39 PRO CB C 13 32.092 0.3 . 1 . . . . 1931 PRO CB . 25992 1 369 . 1 1 39 39 PRO CG C 13 27.361 0.3 . 1 . . . . 1931 PRO CG . 25992 1 370 . 1 1 39 39 PRO CD C 13 51.015 0.3 . 1 . . . . 1931 PRO CD . 25992 1 371 . 1 1 40 40 ARG H H 1 8.494 0.020 . 1 . . . . 1932 ARG H . 25992 1 372 . 1 1 40 40 ARG HA H 1 4.261 0.020 . 1 . . . . 1932 ARG HA . 25992 1 373 . 1 1 40 40 ARG HB2 H 1 1.788 0.020 . 1 . . . . 1932 ARG HB2 . 25992 1 374 . 1 1 40 40 ARG HB3 H 1 1.788 0.020 . 1 . . . . 1932 ARG HB3 . 25992 1 375 . 1 1 40 40 ARG HD2 H 1 3.175 0.020 . 1 . . . . 1932 ARG HD2 . 25992 1 376 . 1 1 40 40 ARG HD3 H 1 3.175 0.020 . 1 . . . . 1932 ARG HD3 . 25992 1 377 . 1 1 40 40 ARG CA C 13 56.171 0.3 . 1 . . . . 1932 ARG CA . 25992 1 378 . 1 1 40 40 ARG CB C 13 30.586 0.3 . 1 . . . . 1932 ARG CB . 25992 1 379 . 1 1 40 40 ARG CG C 13 26.931 0.3 . 1 . . . . 1932 ARG CG . 25992 1 380 . 1 1 40 40 ARG CD C 13 43.274 0.3 . 1 . . . . 1932 ARG CD . 25992 1 381 . 1 1 40 40 ARG N N 15 122.170 0.3 . 1 . . . . 1932 ARG N . 25992 1 382 . 1 1 41 41 ARG H H 1 8.553 0.020 . 1 . . . . 1933 ARG H . 25992 1 383 . 1 1 41 41 ARG HA H 1 4.322 0.020 . 1 . . . . 1933 ARG HA . 25992 1 384 . 1 1 41 41 ARG HB2 H 1 1.818 0.020 . 1 . . . . 1933 ARG HB2 . 25992 1 385 . 1 1 41 41 ARG HB3 H 1 1.818 0.020 . 1 . . . . 1933 ARG HB3 . 25992 1 386 . 1 1 41 41 ARG HG2 H 1 1.652 0.020 . 1 . . . . 1933 ARG HG2 . 25992 1 387 . 1 1 41 41 ARG HG3 H 1 1.652 0.020 . 1 . . . . 1933 ARG HG3 . 25992 1 388 . 1 1 41 41 ARG CA C 13 55.943 0.3 . 1 . . . . 1933 ARG CA . 25992 1 389 . 1 1 41 41 ARG CB C 13 30.586 0.3 . 1 . . . . 1933 ARG CB . 25992 1 390 . 1 1 41 41 ARG CG C 13 26.931 0.3 . 1 . . . . 1933 ARG CG . 25992 1 391 . 1 1 41 41 ARG CD C 13 43.274 0.3 . 1 . . . . 1933 ARG CD . 25992 1 392 . 1 1 41 41 ARG N N 15 123.152 0.3 . 1 . . . . 1933 ARG N . 25992 1 393 . 1 1 42 42 MET H H 1 8.566 0.020 . 1 . . . . 1934 MET H . 25992 1 394 . 1 1 42 42 MET HA H 1 4.472 0.020 . 1 . . . . 1934 MET HA . 25992 1 395 . 1 1 42 42 MET HB2 H 1 2.029 0.020 . 1 . . . . 1934 MET HB2 . 25992 1 396 . 1 1 42 42 MET HB3 H 1 2.029 0.020 . 1 . . . . 1934 MET HB3 . 25992 1 397 . 1 1 42 42 MET HG2 H 1 2.587 0.020 . 1 . . . . 1934 MET HG2 . 25992 1 398 . 1 1 42 42 MET HG3 H 1 2.587 0.020 . 1 . . . . 1934 MET HG3 . 25992 1 399 . 1 1 42 42 MET CA C 13 55.023 0.3 . 1 . . . . 1934 MET CA . 25992 1 400 . 1 1 42 42 MET CB C 13 32.844 0.3 . 1 . . . . 1934 MET CB . 25992 1 401 . 1 1 42 42 MET CG C 13 31.877 0.3 . 1 . . . . 1934 MET CG . 25992 1 402 . 1 1 42 42 MET N N 15 122.784 0.3 . 1 . . . . 1934 MET N . 25992 1 403 . 1 1 43 43 ALA H H 1 8.457 0.020 . 1 . . . . 1935 ALA H . 25992 1 404 . 1 1 43 43 ALA HA H 1 4.295 0.020 . 1 . . . . 1935 ALA HA . 25992 1 405 . 1 1 43 43 ALA HB1 H 1 1.411 0.020 . 1 . . . . 1935 ALA HB . 25992 1 406 . 1 1 43 43 ALA HB2 H 1 1.411 0.020 . 1 . . . . 1935 ALA HB . 25992 1 407 . 1 1 43 43 ALA HB3 H 1 1.411 0.020 . 1 . . . . 1935 ALA HB . 25992 1 408 . 1 1 43 43 ALA CA C 13 52.357 0.3 . 1 . . . . 1935 ALA CA . 25992 1 409 . 1 1 43 43 ALA CB C 13 19.082 0.3 . 1 . . . . 1935 ALA CB . 25992 1 410 . 1 1 43 43 ALA N N 15 126.190 0.3 . 1 . . . . 1935 ALA N . 25992 1 411 . 1 1 44 44 ARG H H 1 8.458 0.020 . 1 . . . . 1936 ARG H . 25992 1 412 . 1 1 44 44 ARG HA H 1 4.306 0.020 . 1 . . . . 1936 ARG HA . 25992 1 413 . 1 1 44 44 ARG HB2 H 1 1.773 0.020 . 1 . . . . 1936 ARG HB2 . 25992 1 414 . 1 1 44 44 ARG HB3 H 1 1.773 0.020 . 1 . . . . 1936 ARG HB3 . 25992 1 415 . 1 1 44 44 ARG CA C 13 56.034 0.3 . 1 . . . . 1936 ARG CA . 25992 1 416 . 1 1 44 44 ARG CB C 13 30.694 0.3 . 1 . . . . 1936 ARG CB . 25992 1 417 . 1 1 44 44 ARG CG C 13 26.823 0.3 . 1 . . . . 1936 ARG CG . 25992 1 418 . 1 1 44 44 ARG CD C 13 43.274 0.3 . 1 . . . . 1936 ARG CD . 25992 1 419 . 1 1 44 44 ARG N N 15 121.518 0.3 . 1 . . . . 1936 ARG N . 25992 1 420 . 1 1 45 45 LYS H H 1 8.137 0.020 . 1 . . . . 1937 LYS H . 25992 1 421 . 1 1 45 45 LYS HA H 1 4.141 0.020 . 1 . . . . 1937 LYS HA . 25992 1 422 . 1 1 45 45 LYS HB2 H 1 1.773 0.020 . 1 . . . . 1937 LYS HB2 . 25992 1 423 . 1 1 45 45 LYS HB3 H 1 1.773 0.020 . 1 . . . . 1937 LYS HB3 . 25992 1 424 . 1 1 45 45 LYS HG2 H 1 1.396 0.020 . 1 . . . . 1937 LYS HG2 . 25992 1 425 . 1 1 45 45 LYS HG3 H 1 1.396 0.020 . 1 . . . . 1937 LYS HG3 . 25992 1 426 . 1 1 45 45 LYS CA C 13 57.780 0.3 . 1 . . . . 1937 LYS CA . 25992 1 427 . 1 1 45 45 LYS CB C 13 33.382 0.3 . 1 . . . . 1937 LYS CB . 25992 1 428 . 1 1 45 45 LYS N N 15 128.443 0.3 . 1 . . . . 1937 LYS N . 25992 1 stop_ save_