data_27972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27972 _Entry.Title ; VSV Phosphoprotein 35-106 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-12 _Entry.Accession_date 2019-07-12 _Entry.Last_release_date 2019-07-12 _Entry.Original_release_date 2019-07-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shift data for VSV Phosphoprotein Residues 35 - 106' _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 Chad Petit . M. . . 27972 2 Todd Green . J. . . 27972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 27972 '15N chemical shifts' 60 27972 '1H chemical shifts' 60 27972 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 . . 2020-03-31 2019-03-01 update BMRB 'update entry citation' 27972 1 . . 2020-02-11 2019-03-01 original author 'original release' 27972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27972 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31896592 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Connector Domain of Vesicular Stomatitis Virus Large Protein Interacts with the Viral Phosphoprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 94 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1098-5514 _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 e01729-19 _Citation.Page_last e01729-19 _Citation.Year 2020 _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 Joseph Gould J. R. . . 27972 1 2 Shihong Qiu S. . . . 27972 1 3 Qiao Shang Q. . . . 27972 1 4 Tomoaki Ogino T. . . . 27972 1 5 Peter Prevelige P. E. Jr . 27972 1 6 Chad Petit C. M. . . 27972 1 7 Todd Green T. J. . . 27972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27972 _Assembly.ID 1 _Assembly.Name 'VSV Phosphoprotein 35-106' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VSV Phosphoprotein 35-106' 1 $L_Protein A . yes native no no . . . 27972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L_Protein _Entity.Sf_category entity _Entity.Sf_framecode L_Protein _Entity.Entry_ID 27972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L_Protein _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 ; SNYELFQEDGVEEHTRPSYF QAADDSDTESEPEIEDNQGL YVPDPEAEQVEGFIQGPLDD YADEDVDVVFTS ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . SER . 27972 1 2 . ASN . 27972 1 3 . TYR . 27972 1 4 . GLU . 27972 1 5 . LEU . 27972 1 6 . PHE . 27972 1 7 . GLN . 27972 1 8 . GLU . 27972 1 9 . ASP . 27972 1 10 . GLY . 27972 1 11 . VAL . 27972 1 12 . GLU . 27972 1 13 . GLU . 27972 1 14 . HIS . 27972 1 15 . THR . 27972 1 16 . ARG . 27972 1 17 . PRO . 27972 1 18 . SER . 27972 1 19 . TYR . 27972 1 20 . PHE . 27972 1 21 . GLN . 27972 1 22 . ALA . 27972 1 23 . ALA . 27972 1 24 . ASP . 27972 1 25 . ASP . 27972 1 26 . SER . 27972 1 27 . ASP . 27972 1 28 . THR . 27972 1 29 . GLU . 27972 1 30 . SER . 27972 1 31 . GLU . 27972 1 32 . PRO . 27972 1 33 . GLU . 27972 1 34 . ILE . 27972 1 35 . GLU . 27972 1 36 . ASP . 27972 1 37 . ASN . 27972 1 38 . GLN . 27972 1 39 . GLY . 27972 1 40 . LEU . 27972 1 41 . TYR . 27972 1 42 . VAL . 27972 1 43 . PRO . 27972 1 44 . ASP . 27972 1 45 . PRO . 27972 1 46 . GLU . 27972 1 47 . ALA . 27972 1 48 . GLU . 27972 1 49 . GLN . 27972 1 50 . VAL . 27972 1 51 . GLU . 27972 1 52 . GLY . 27972 1 53 . PHE . 27972 1 54 . ILE . 27972 1 55 . GLN . 27972 1 56 . GLY . 27972 1 57 . PRO . 27972 1 58 . LEU . 27972 1 59 . ASP . 27972 1 60 . ASP . 27972 1 61 . TYR . 27972 1 62 . ALA . 27972 1 63 . ASP . 27972 1 64 . GLU . 27972 1 65 . ASP . 27972 1 66 . VAL . 27972 1 67 . ASP . 27972 1 68 . VAL . 27972 1 69 . VAL . 27972 1 70 . PHE . 27972 1 71 . THR . 27972 1 72 . SER . 27972 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 . SER 1 1 27972 1 . ASN 2 2 27972 1 . TYR 3 3 27972 1 . GLU 4 4 27972 1 . LEU 5 5 27972 1 . PHE 6 6 27972 1 . GLN 7 7 27972 1 . GLU 8 8 27972 1 . ASP 9 9 27972 1 . GLY 10 10 27972 1 . VAL 11 11 27972 1 . GLU 12 12 27972 1 . GLU 13 13 27972 1 . HIS 14 14 27972 1 . THR 15 15 27972 1 . ARG 16 16 27972 1 . PRO 17 17 27972 1 . SER 18 18 27972 1 . TYR 19 19 27972 1 . PHE 20 20 27972 1 . GLN 21 21 27972 1 . ALA 22 22 27972 1 . ALA 23 23 27972 1 . ASP 24 24 27972 1 . ASP 25 25 27972 1 . SER 26 26 27972 1 . ASP 27 27 27972 1 . THR 28 28 27972 1 . GLU 29 29 27972 1 . SER 30 30 27972 1 . GLU 31 31 27972 1 . PRO 32 32 27972 1 . GLU 33 33 27972 1 . ILE 34 34 27972 1 . GLU 35 35 27972 1 . ASP 36 36 27972 1 . ASN 37 37 27972 1 . GLN 38 38 27972 1 . GLY 39 39 27972 1 . LEU 40 40 27972 1 . TYR 41 41 27972 1 . VAL 42 42 27972 1 . PRO 43 43 27972 1 . ASP 44 44 27972 1 . PRO 45 45 27972 1 . GLU 46 46 27972 1 . ALA 47 47 27972 1 . GLU 48 48 27972 1 . GLN 49 49 27972 1 . VAL 50 50 27972 1 . GLU 51 51 27972 1 . GLY 52 52 27972 1 . PHE 53 53 27972 1 . ILE 54 54 27972 1 . GLN 55 55 27972 1 . GLY 56 56 27972 1 . PRO 57 57 27972 1 . LEU 58 58 27972 1 . ASP 59 59 27972 1 . ASP 60 60 27972 1 . TYR 61 61 27972 1 . ALA 62 62 27972 1 . ASP 63 63 27972 1 . GLU 64 64 27972 1 . ASP 65 65 27972 1 . VAL 66 66 27972 1 . ASP 67 67 27972 1 . VAL 68 68 27972 1 . VAL 69 69 27972 1 . PHE 70 70 27972 1 . THR 71 71 27972 1 . SER 72 72 27972 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 27972 _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 $L_Protein . 11276 organism . 'Vesicular Stomatitis Virus' 'Vesicular Stomatitis Virus' . . Viruses . Vesiculovirus 'Vesicular Stomatitis Virus' Indiana . . . . . . . . . . Phosphoprotein 'Residues 35 - 106' 27972 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 27972 _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 $L_Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . SpGFTk . . . 27972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27972 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Standard 15N (NH4Cl) and 13C (Glucose) labeling was used.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'VSV Phosphoprotein 35-106' '[U-13C; U-15N]' . . 1 $L_Protein . . 1 . . mM . . . . 27972 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27972 1 3 'Sodium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27972 1 4 glycerol 'natural abundance' . . . . . . 10 . . % . . . . 27972 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27972 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27972 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 27972 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 27972 1 pH 7.0 . pH 27972 1 pressure 1 . atm 27972 1 temperature 298 . K 27972 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27972 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27972 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27972 1 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 27972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27972 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27972 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 27972 _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 . . . . . . . . . . . . . . . . 27972 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27972 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27972 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 27972 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 27972 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 27972 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 27972 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 27972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1 '2D 1H-15N HSQC' . . . 27972 1 2 '3D HNCACB' . . . 27972 1 3 '3D CBCA(CO)NH' . . . 27972 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 GLU H H 1 8.249 0.020 . 1 . . . . . 4 GLU H . 27972 1 2 . 1 . 1 4 4 GLU CA C 13 56.602 0.3 . 1 . . . . . 4 GLU CA . 27972 1 3 . 1 . 1 4 4 GLU CB C 13 30.214 0.3 . 1 . . . . . 4 GLU CB . 27972 1 4 . 1 . 1 4 4 GLU N N 15 121.896 0.3 . 1 . . . . . 4 GLU N . 27972 1 5 . 1 . 1 5 5 LEU H H 1 8.004 0.020 . 1 . . . . . 5 LEU H . 27972 1 6 . 1 . 1 5 5 LEU CA C 13 55.120 0.3 . 1 . . . . . 5 LEU CA . 27972 1 7 . 1 . 1 5 5 LEU CB C 13 42.412 0.3 . 1 . . . . . 5 LEU CB . 27972 1 8 . 1 . 1 5 5 LEU N N 15 122.422 0.3 . 1 . . . . . 5 LEU N . 27972 1 9 . 1 . 1 6 6 PHE H H 1 8.168 0.020 . 1 . . . . . 6 PHE H . 27972 1 10 . 1 . 1 6 6 PHE CA C 13 57.518 0.3 . 1 . . . . . 6 PHE CA . 27972 1 11 . 1 . 1 6 6 PHE CB C 13 39.720 0.3 . 1 . . . . . 6 PHE CB . 27972 1 12 . 1 . 1 6 6 PHE N N 15 120.672 0.3 . 1 . . . . . 6 PHE N . 27972 1 13 . 1 . 1 7 7 GLN H H 1 8.180 0.020 . 1 . . . . . 7 GLN H . 27972 1 14 . 1 . 1 7 7 GLN CA C 13 55.389 0.3 . 1 . . . . . 7 GLN CA . 27972 1 15 . 1 . 1 7 7 GLN CB C 13 29.810 0.3 . 1 . . . . . 7 GLN CB . 27972 1 16 . 1 . 1 7 7 GLN N N 15 122.385 0.3 . 1 . . . . . 7 GLN N . 27972 1 17 . 1 . 1 8 8 GLU H H 1 8.428 0.020 . 1 . . . . . 8 GLU H . 27972 1 18 . 1 . 1 8 8 GLU CA C 13 56.533 0.3 . 1 . . . . . 8 GLU CA . 27972 1 19 . 1 . 1 8 8 GLU CB C 13 30.163 0.3 . 1 . . . . . 8 GLU CB . 27972 1 20 . 1 . 1 8 8 GLU N N 15 122.784 0.3 . 1 . . . . . 8 GLU N . 27972 1 21 . 1 . 1 10 10 GLY H H 1 8.368 0.020 . 1 . . . . . 10 GLY H . 27972 1 22 . 1 . 1 10 10 GLY CA C 13 45.499 0.3 . 1 . . . . . 10 GLY CA . 27972 1 23 . 1 . 1 10 10 GLY N N 15 109.405 0.3 . 1 . . . . . 10 GLY N . 27972 1 24 . 1 . 1 11 11 VAL H H 1 7.909 0.020 . 1 . . . . . 11 VAL H . 27972 1 25 . 1 . 1 11 11 VAL CA C 13 62.318 0.3 . 1 . . . . . 11 VAL CA . 27972 1 26 . 1 . 1 11 11 VAL CB C 13 32.624 0.3 . 1 . . . . . 11 VAL CB . 27972 1 27 . 1 . 1 11 11 VAL N N 15 119.224 0.3 . 1 . . . . . 11 VAL N . 27972 1 28 . 1 . 1 15 15 THR H H 1 8.044 0.020 . 1 . . . . . 15 THR H . 27972 1 29 . 1 . 1 15 15 THR CA C 13 61.911 0.3 . 1 . . . . . 15 THR CA . 27972 1 30 . 1 . 1 15 15 THR CB C 13 69.641 0.3 . 1 . . . . . 15 THR CB . 27972 1 31 . 1 . 1 15 15 THR N N 15 115.016 0.3 . 1 . . . . . 15 THR N . 27972 1 32 . 1 . 1 16 16 ARG H H 1 8.288 0.020 . 1 . . . . . 16 ARG H . 27972 1 33 . 1 . 1 16 16 ARG CA C 13 54.041 0.3 . 1 . . . . . 16 ARG CA . 27972 1 34 . 1 . 1 16 16 ARG CB C 13 30.199 0.3 . 1 . . . . . 16 ARG CB . 27972 1 35 . 1 . 1 16 16 ARG N N 15 124.818 0.3 . 1 . . . . . 16 ARG N . 27972 1 36 . 1 . 1 18 18 SER H H 1 8.353 0.020 . 1 . . . . . 18 SER H . 27972 1 37 . 1 . 1 18 18 SER CA C 13 58.382 0.3 . 1 . . . . . 18 SER CA . 27972 1 38 . 1 . 1 18 18 SER CB C 13 63.675 0.3 . 1 . . . . . 18 SER CB . 27972 1 39 . 1 . 1 18 18 SER N N 15 115.633 0.3 . 1 . . . . . 18 SER N . 27972 1 40 . 1 . 1 19 19 TYR H H 1 7.935 0.020 . 1 . . . . . 19 TYR H . 27972 1 41 . 1 . 1 19 19 TYR CA C 13 57.592 0.3 . 1 . . . . . 19 TYR CA . 27972 1 42 . 1 . 1 19 19 TYR CB C 13 38.695 0.3 . 1 . . . . . 19 TYR CB . 27972 1 43 . 1 . 1 19 19 TYR N N 15 121.369 0.3 . 1 . . . . . 19 TYR N . 27972 1 44 . 1 . 1 20 20 PHE H H 1 7.990 0.020 . 1 . . . . . 20 PHE H . 27972 1 45 . 1 . 1 20 20 PHE CA C 13 57.598 0.3 . 1 . . . . . 20 PHE CA . 27972 1 46 . 1 . 1 20 20 PHE CB C 13 39.770 0.3 . 1 . . . . . 20 PHE CB . 27972 1 47 . 1 . 1 20 20 PHE N N 15 122.019 0.3 . 1 . . . . . 20 PHE N . 27972 1 48 . 1 . 1 21 21 GLN H H 1 8.095 0.020 . 1 . . . . . 21 GLN H . 27972 1 49 . 1 . 1 21 21 GLN CA C 13 55.284 0.3 . 1 . . . . . 21 GLN CA . 27972 1 50 . 1 . 1 21 21 GLN CB C 13 29.791 0.3 . 1 . . . . . 21 GLN CB . 27972 1 51 . 1 . 1 21 21 GLN N N 15 123.193 0.3 . 1 . . . . . 21 GLN N . 27972 1 52 . 1 . 1 22 22 ALA H H 1 8.293 0.020 . 1 . . . . . 22 ALA H . 27972 1 53 . 1 . 1 22 22 ALA CA C 13 52.293 0.3 . 1 . . . . . 22 ALA CA . 27972 1 54 . 1 . 1 22 22 ALA CB C 13 19.311 0.3 . 1 . . . . . 22 ALA CB . 27972 1 55 . 1 . 1 22 22 ALA N N 15 126.497 0.3 . 1 . . . . . 22 ALA N . 27972 1 56 . 1 . 1 23 23 ALA H H 1 8.340 0.020 . 1 . . . . . 23 ALA H . 27972 1 57 . 1 . 1 23 23 ALA CA C 13 52.312 0.3 . 1 . . . . . 23 ALA CA . 27972 1 58 . 1 . 1 23 23 ALA CB C 13 19.330 0.3 . 1 . . . . . 23 ALA CB . 27972 1 59 . 1 . 1 23 23 ALA N N 15 123.709 0.3 . 1 . . . . . 23 ALA N . 27972 1 60 . 1 . 1 24 24 ASP H H 1 8.304 0.020 . 1 . . . . . 24 ASP H . 27972 1 61 . 1 . 1 24 24 ASP CA C 13 54.239 0.3 . 1 . . . . . 24 ASP CA . 27972 1 62 . 1 . 1 24 24 ASP CB C 13 41.269 0.3 . 1 . . . . . 24 ASP CB . 27972 1 63 . 1 . 1 24 24 ASP N N 15 119.758 0.3 . 1 . . . . . 24 ASP N . 27972 1 64 . 1 . 1 25 25 ASP H H 1 8.274 0.020 . 1 . . . . . 25 ASP H . 27972 1 65 . 1 . 1 25 25 ASP CA C 13 54.294 0.3 . 1 . . . . . 25 ASP CA . 27972 1 66 . 1 . 1 25 25 ASP CB C 13 41.020 0.3 . 1 . . . . . 25 ASP CB . 27972 1 67 . 1 . 1 25 25 ASP N N 15 121.179 0.3 . 1 . . . . . 25 ASP N . 27972 1 68 . 1 . 1 26 26 SER H H 1 8.270 0.020 . 1 . . . . . 26 SER H . 27972 1 69 . 1 . 1 26 26 SER CA C 13 58.853 0.3 . 1 . . . . . 26 SER CA . 27972 1 70 . 1 . 1 26 26 SER CB C 13 63.924 0.3 . 1 . . . . . 26 SER CB . 27972 1 71 . 1 . 1 26 26 SER N N 15 115.907 0.3 . 1 . . . . . 26 SER N . 27972 1 72 . 1 . 1 27 27 ASP H H 1 8.414 0.020 . 1 . . . . . 27 ASP H . 27972 1 73 . 1 . 1 27 27 ASP CA C 13 54.349 0.3 . 1 . . . . . 27 ASP CA . 27972 1 74 . 1 . 1 27 27 ASP CB C 13 41.073 0.3 . 1 . . . . . 27 ASP CB . 27972 1 75 . 1 . 1 27 27 ASP N N 15 122.725 0.3 . 1 . . . . . 27 ASP N . 27972 1 76 . 1 . 1 28 28 THR H H 1 8.073 0.020 . 1 . . . . . 28 THR H . 27972 1 77 . 1 . 1 28 28 THR CA C 13 61.997 0.3 . 1 . . . . . 28 THR CA . 27972 1 78 . 1 . 1 28 28 THR CB C 13 69.817 0.3 . 1 . . . . . 28 THR CB . 27972 1 79 . 1 . 1 28 28 THR N N 15 114.352 0.3 . 1 . . . . . 28 THR N . 27972 1 80 . 1 . 1 29 29 GLU H H 1 8.423 0.020 . 1 . . . . . 29 GLU H . 27972 1 81 . 1 . 1 29 29 GLU CA C 13 56.373 0.3 . 1 . . . . . 29 GLU CA . 27972 1 82 . 1 . 1 29 29 GLU CB C 13 30.277 0.3 . 1 . . . . . 29 GLU CB . 27972 1 83 . 1 . 1 29 29 GLU N N 15 123.471 0.3 . 1 . . . . . 29 GLU N . 27972 1 84 . 1 . 1 30 30 SER H H 1 8.293 0.020 . 1 . . . . . 30 SER H . 27972 1 85 . 1 . 1 30 30 SER CA C 13 58.184 0.3 . 1 . . . . . 30 SER CA . 27972 1 86 . 1 . 1 30 30 SER CB C 13 63.982 0.3 . 1 . . . . . 30 SER CB . 27972 1 87 . 1 . 1 30 30 SER N N 15 117.334 0.3 . 1 . . . . . 30 SER N . 27972 1 88 . 1 . 1 31 31 GLU H H 1 8.462 0.020 . 1 . . . . . 31 GLU H . 27972 1 89 . 1 . 1 31 31 GLU CA C 13 54.396 0.3 . 1 . . . . . 31 GLU CA . 27972 1 90 . 1 . 1 31 31 GLU CB C 13 29.717 0.3 . 1 . . . . . 31 GLU CB . 27972 1 91 . 1 . 1 31 31 GLU N N 15 124.105 0.3 . 1 . . . . . 31 GLU N . 27972 1 92 . 1 . 1 33 33 GLU H H 1 8.513 0.020 . 1 . . . . . 33 GLU H . 27972 1 93 . 1 . 1 33 33 GLU CA C 13 56.339 0.3 . 1 . . . . . 33 GLU CA . 27972 1 94 . 1 . 1 33 33 GLU CB C 13 30.200 0.3 . 1 . . . . . 33 GLU CB . 27972 1 95 . 1 . 1 33 33 GLU N N 15 121.628 0.3 . 1 . . . . . 33 GLU N . 27972 1 96 . 1 . 1 34 34 ILE H H 1 8.244 0.020 . 1 . . . . . 34 ILE H . 27972 1 97 . 1 . 1 34 34 ILE CA C 13 60.838 0.3 . 1 . . . . . 34 ILE CA . 27972 1 98 . 1 . 1 34 34 ILE CB C 13 38.853 0.3 . 1 . . . . . 34 ILE CB . 27972 1 99 . 1 . 1 34 34 ILE N N 15 122.590 0.3 . 1 . . . . . 34 ILE N . 27972 1 100 . 1 . 1 35 35 GLU H H 1 8.503 0.020 . 1 . . . . . 35 GLU H . 27972 1 101 . 1 . 1 35 35 GLU CA C 13 56.505 0.3 . 1 . . . . . 35 GLU CA . 27972 1 102 . 1 . 1 35 35 GLU CB C 13 30.517 0.3 . 1 . . . . . 35 GLU CB . 27972 1 103 . 1 . 1 35 35 GLU N N 15 125.702 0.3 . 1 . . . . . 35 GLU N . 27972 1 104 . 1 . 1 36 36 ASP H H 1 8.304 0.020 . 1 . . . . . 36 ASP H . 27972 1 105 . 1 . 1 36 36 ASP CA C 13 54.245 0.3 . 1 . . . . . 36 ASP CA . 27972 1 106 . 1 . 1 36 36 ASP CB C 13 41.148 0.3 . 1 . . . . . 36 ASP CB . 27972 1 107 . 1 . 1 36 36 ASP N N 15 119.574 0.3 . 1 . . . . . 36 ASP N . 27972 1 108 . 1 . 1 37 37 ASN H H 1 8.442 0.020 . 1 . . . . . 37 ASN H . 27972 1 109 . 1 . 1 37 37 ASN CA C 13 53.172 0.3 . 1 . . . . . 37 ASN CA . 27972 1 110 . 1 . 1 37 37 ASN CB C 13 38.636 0.3 . 1 . . . . . 37 ASN CB . 27972 1 111 . 1 . 1 37 37 ASN N N 15 119.839 0.3 . 1 . . . . . 37 ASN N . 27972 1 112 . 1 . 1 38 38 GLN H H 1 8.453 0.020 . 1 . . . . . 38 GLN H . 27972 1 113 . 1 . 1 38 38 GLN CA C 13 56.449 0.3 . 1 . . . . . 38 GLN CA . 27972 1 114 . 1 . 1 38 38 GLN CB C 13 29.057 0.3 . 1 . . . . . 38 GLN CB . 27972 1 115 . 1 . 1 38 38 GLN N N 15 120.063 0.3 . 1 . . . . . 38 GLN N . 27972 1 116 . 1 . 1 39 39 GLY H H 1 8.416 0.020 . 1 . . . . . 39 GLY H . 27972 1 117 . 1 . 1 39 39 GLY CA C 13 45.400 0.3 . 1 . . . . . 39 GLY CA . 27972 1 118 . 1 . 1 39 39 GLY N N 15 109.273 0.3 . 1 . . . . . 39 GLY N . 27972 1 119 . 1 . 1 40 40 LEU H H 1 7.906 0.020 . 1 . . . . . 40 LEU H . 27972 1 120 . 1 . 1 40 40 LEU CA C 13 55.019 0.3 . 1 . . . . . 40 LEU CA . 27972 1 121 . 1 . 1 40 40 LEU CB C 13 42.432 0.3 . 1 . . . . . 40 LEU CB . 27972 1 122 . 1 . 1 40 40 LEU N N 15 121.384 0.3 . 1 . . . . . 40 LEU N . 27972 1 123 . 1 . 1 41 41 TYR H H 1 8.215 0.020 . 1 . . . . . 41 TYR H . 27972 1 124 . 1 . 1 41 41 TYR CA C 13 57.663 0.3 . 1 . . . . . 41 TYR CA . 27972 1 125 . 1 . 1 41 41 TYR CB C 13 38.656 0.3 . 1 . . . . . 41 TYR CB . 27972 1 126 . 1 . 1 41 41 TYR N N 15 122.152 0.3 . 1 . . . . . 41 TYR N . 27972 1 127 . 1 . 1 42 42 VAL H H 1 7.954 0.020 . 1 . . . . . 42 VAL H . 27972 1 128 . 1 . 1 42 42 VAL CA C 13 59.139 0.3 . 1 . . . . . 42 VAL CA . 27972 1 129 . 1 . 1 42 42 VAL CB C 13 33.204 0.3 . 1 . . . . . 42 VAL CB . 27972 1 130 . 1 . 1 42 42 VAL N N 15 126.620 0.3 . 1 . . . . . 42 VAL N . 27972 1 131 . 1 . 1 44 44 ASP H H 1 8.330 0.020 . 1 . . . . . 44 ASP H . 27972 1 132 . 1 . 1 44 44 ASP N N 15 121.643 0.3 . 1 . . . . . 44 ASP N . 27972 1 133 . 1 . 1 46 46 GLU H H 1 8.414 0.020 . 1 . . . . . 46 GLU H . 27972 1 134 . 1 . 1 46 46 GLU CA C 13 56.581 0.3 . 1 . . . . . 46 GLU CA . 27972 1 135 . 1 . 1 46 46 GLU CB C 13 29.817 0.3 . 1 . . . . . 46 GLU CB . 27972 1 136 . 1 . 1 46 46 GLU N N 15 119.438 0.3 . 1 . . . . . 46 GLU N . 27972 1 137 . 1 . 1 47 47 ALA H H 1 7.964 0.020 . 1 . . . . . 47 ALA H . 27972 1 138 . 1 . 1 47 47 ALA CA C 13 52.591 0.3 . 1 . . . . . 47 ALA CA . 27972 1 139 . 1 . 1 47 47 ALA CB C 13 19.288 0.3 . 1 . . . . . 47 ALA CB . 27972 1 140 . 1 . 1 47 47 ALA N N 15 124.109 0.3 . 1 . . . . . 47 ALA N . 27972 1 141 . 1 . 1 48 48 GLU H H 1 8.247 0.020 . 1 . . . . . 48 GLU H . 27972 1 142 . 1 . 1 48 48 GLU CA C 13 56.601 0.3 . 1 . . . . . 48 GLU CA . 27972 1 143 . 1 . 1 48 48 GLU CB C 13 30.295 0.3 . 1 . . . . . 48 GLU CB . 27972 1 144 . 1 . 1 48 48 GLU N N 15 119.814 0.3 . 1 . . . . . 48 GLU N . 27972 1 145 . 1 . 1 49 49 GLN H H 1 8.330 0.020 . 1 . . . . . 49 GLN H . 27972 1 146 . 1 . 1 49 49 GLN CA C 13 55.483 0.3 . 1 . . . . . 49 GLN CA . 27972 1 147 . 1 . 1 49 49 GLN CB C 13 29.282 0.3 . 1 . . . . . 49 GLN CB . 27972 1 148 . 1 . 1 49 49 GLN N N 15 121.772 0.3 . 1 . . . . . 49 GLN N . 27972 1 149 . 1 . 1 50 50 VAL H H 1 8.182 0.020 . 1 . . . . . 50 VAL H . 27972 1 150 . 1 . 1 50 50 VAL CA C 13 62.162 0.3 . 1 . . . . . 50 VAL CA . 27972 1 151 . 1 . 1 50 50 VAL CB C 13 32.843 0.3 . 1 . . . . . 50 VAL CB . 27972 1 152 . 1 . 1 50 50 VAL N N 15 121.729 0.3 . 1 . . . . . 50 VAL N . 27972 1 153 . 1 . 1 51 51 GLU H H 1 8.522 0.020 . 1 . . . . . 51 GLU H . 27972 1 154 . 1 . 1 51 51 GLU CA C 13 56.743 0.3 . 1 . . . . . 51 GLU CA . 27972 1 155 . 1 . 1 51 51 GLU CB C 13 30.199 0.3 . 1 . . . . . 51 GLU CB . 27972 1 156 . 1 . 1 51 51 GLU N N 15 124.781 0.3 . 1 . . . . . 51 GLU N . 27972 1 157 . 1 . 1 52 52 GLY H H 1 8.421 0.020 . 1 . . . . . 52 GLY H . 27972 1 158 . 1 . 1 52 52 GLY CA C 13 45.140 0.3 . 1 . . . . . 52 GLY CA . 27972 1 159 . 1 . 1 52 52 GLY N N 15 110.395 0.3 . 1 . . . . . 52 GLY N . 27972 1 160 . 1 . 1 53 53 PHE H H 1 8.034 0.020 . 1 . . . . . 53 PHE H . 27972 1 161 . 1 . 1 53 53 PHE CA C 13 57.807 0.3 . 1 . . . . . 53 PHE CA . 27972 1 162 . 1 . 1 53 53 PHE CB C 13 39.708 0.3 . 1 . . . . . 53 PHE CB . 27972 1 163 . 1 . 1 53 53 PHE N N 15 120.352 0.3 . 1 . . . . . 53 PHE N . 27972 1 164 . 1 . 1 54 54 ILE H H 1 8.028 0.020 . 1 . . . . . 54 ILE H . 27972 1 165 . 1 . 1 54 54 ILE CA C 13 60.567 0.3 . 1 . . . . . 54 ILE CA . 27972 1 166 . 1 . 1 54 54 ILE CB C 13 38.837 0.3 . 1 . . . . . 54 ILE CB . 27972 1 167 . 1 . 1 54 54 ILE N N 15 124.417 0.3 . 1 . . . . . 54 ILE N . 27972 1 168 . 1 . 1 55 55 GLN H H 1 8.396 0.020 . 1 . . . . . 55 GLN H . 27972 1 169 . 1 . 1 55 55 GLN CA C 13 55.789 0.3 . 1 . . . . . 55 GLN CA . 27972 1 170 . 1 . 1 55 55 GLN CB C 13 29.722 0.3 . 1 . . . . . 55 GLN CB . 27972 1 171 . 1 . 1 55 55 GLN N N 15 125.556 0.3 . 1 . . . . . 55 GLN N . 27972 1 172 . 1 . 1 56 56 GLY H H 1 8.351 0.020 . 1 . . . . . 56 GLY H . 27972 1 173 . 1 . 1 56 56 GLY CA C 13 44.425 0.3 . 1 . . . . . 56 GLY CA . 27972 1 174 . 1 . 1 56 56 GLY N N 15 111.900 0.3 . 1 . . . . . 56 GLY N . 27972 1 175 . 1 . 1 58 58 LEU H H 1 8.633 0.020 . 1 . . . . . 58 LEU H . 27972 1 176 . 1 . 1 58 58 LEU CA C 13 54.769 0.3 . 1 . . . . . 58 LEU CA . 27972 1 177 . 1 . 1 58 58 LEU CB C 13 42.165 0.3 . 1 . . . . . 58 LEU CB . 27972 1 178 . 1 . 1 58 58 LEU N N 15 123.086 0.3 . 1 . . . . . 58 LEU N . 27972 1 179 . 1 . 1 59 59 ASP H H 1 8.172 0.020 . 1 . . . . . 59 ASP H . 27972 1 180 . 1 . 1 59 59 ASP CA C 13 54.343 0.3 . 1 . . . . . 59 ASP CA . 27972 1 181 . 1 . 1 59 59 ASP CB C 13 41.245 0.3 . 1 . . . . . 59 ASP CB . 27972 1 182 . 1 . 1 59 59 ASP N N 15 120.963 0.3 . 1 . . . . . 59 ASP N . 27972 1 183 . 1 . 1 60 60 ASP H H 1 8.161 0.020 . 1 . . . . . 60 ASP H . 27972 1 184 . 1 . 1 60 60 ASP CA C 13 54.131 0.3 . 1 . . . . . 60 ASP CA . 27972 1 185 . 1 . 1 60 60 ASP CB C 13 41.062 0.3 . 1 . . . . . 60 ASP CB . 27972 1 186 . 1 . 1 60 60 ASP N N 15 120.229 0.3 . 1 . . . . . 60 ASP N . 27972 1 187 . 1 . 1 61 61 TYR H H 1 8.077 0.020 . 1 . . . . . 61 TYR H . 27972 1 188 . 1 . 1 61 61 TYR CA C 13 57.852 0.3 . 1 . . . . . 61 TYR CA . 27972 1 189 . 1 . 1 61 61 TYR CB C 13 38.602 0.3 . 1 . . . . . 61 TYR CB . 27972 1 190 . 1 . 1 61 61 TYR N N 15 120.560 0.3 . 1 . . . . . 61 TYR N . 27972 1 191 . 1 . 1 62 62 ALA H H 1 8.061 0.020 . 1 . . . . . 62 ALA H . 27972 1 192 . 1 . 1 62 62 ALA CA C 13 52.226 0.3 . 1 . . . . . 62 ALA CA . 27972 1 193 . 1 . 1 62 62 ALA CB C 13 19.632 0.3 . 1 . . . . . 62 ALA CB . 27972 1 194 . 1 . 1 62 62 ALA N N 15 126.073 0.3 . 1 . . . . . 62 ALA N . 27972 1 195 . 1 . 1 63 63 ASP H H 1 8.194 0.020 . 1 . . . . . 63 ASP H . 27972 1 196 . 1 . 1 63 63 ASP CA C 13 54.276 0.3 . 1 . . . . . 63 ASP CA . 27972 1 197 . 1 . 1 63 63 ASP CB C 13 41.184 0.3 . 1 . . . . . 63 ASP CB . 27972 1 198 . 1 . 1 63 63 ASP N N 15 120.240 0.3 . 1 . . . . . 63 ASP N . 27972 1 199 . 1 . 1 64 64 GLU H H 1 8.317 0.020 . 1 . . . . . 64 GLU H . 27972 1 200 . 1 . 1 64 64 GLU CA C 13 56.516 0.3 . 1 . . . . . 64 GLU CA . 27972 1 201 . 1 . 1 64 64 GLU CB C 13 30.536 0.3 . 1 . . . . . 64 GLU CB . 27972 1 202 . 1 . 1 64 64 GLU N N 15 120.946 0.3 . 1 . . . . . 64 GLU N . 27972 1 203 . 1 . 1 65 65 ASP H H 1 8.430 0.020 . 1 . . . . . 65 ASP H . 27972 1 204 . 1 . 1 65 65 ASP CA C 13 54.349 0.3 . 1 . . . . . 65 ASP CA . 27972 1 205 . 1 . 1 65 65 ASP CB C 13 41.073 0.3 . 1 . . . . . 65 ASP CB . 27972 1 206 . 1 . 1 65 65 ASP N N 15 121.471 0.3 . 1 . . . . . 65 ASP N . 27972 1 207 . 1 . 1 66 66 VAL H H 1 7.944 0.020 . 1 . . . . . 66 VAL H . 27972 1 208 . 1 . 1 66 66 VAL CA C 13 62.103 0.3 . 1 . . . . . 66 VAL CA . 27972 1 209 . 1 . 1 66 66 VAL CB C 13 32.882 0.3 . 1 . . . . . 66 VAL CB . 27972 1 210 . 1 . 1 66 66 VAL N N 15 119.497 0.3 . 1 . . . . . 66 VAL N . 27972 1 211 . 1 . 1 67 67 ASP H H 1 8.384 0.020 . 1 . . . . . 67 ASP H . 27972 1 212 . 1 . 1 67 67 ASP CA C 13 54.416 0.3 . 1 . . . . . 67 ASP CA . 27972 1 213 . 1 . 1 67 67 ASP CB C 13 41.131 0.3 . 1 . . . . . 67 ASP CB . 27972 1 214 . 1 . 1 67 67 ASP N N 15 123.746 0.3 . 1 . . . . . 67 ASP N . 27972 1 215 . 1 . 1 68 68 VAL H H 1 7.949 0.020 . 1 . . . . . 68 VAL H . 27972 1 216 . 1 . 1 68 68 VAL CA C 13 62.306 0.3 . 1 . . . . . 68 VAL CA . 27972 1 217 . 1 . 1 68 68 VAL CB C 13 32.663 0.3 . 1 . . . . . 68 VAL CB . 27972 1 218 . 1 . 1 68 68 VAL N N 15 120.675 0.3 . 1 . . . . . 68 VAL N . 27972 1 219 . 1 . 1 69 69 VAL H H 1 8.098 0.020 . 1 . . . . . 69 VAL H . 27972 1 220 . 1 . 1 69 69 VAL CA C 13 62.122 0.3 . 1 . . . . . 69 VAL CA . 27972 1 221 . 1 . 1 69 69 VAL CB C 13 32.805 0.3 . 1 . . . . . 69 VAL CB . 27972 1 222 . 1 . 1 69 69 VAL N N 15 124.112 0.3 . 1 . . . . . 69 VAL N . 27972 1 223 . 1 . 1 70 70 PHE H H 1 8.417 0.020 . 1 . . . . . 70 PHE H . 27972 1 224 . 1 . 1 70 70 PHE CA C 13 57.617 0.3 . 1 . . . . . 70 PHE CA . 27972 1 225 . 1 . 1 70 70 PHE CB C 13 39.736 0.3 . 1 . . . . . 70 PHE CB . 27972 1 226 . 1 . 1 70 70 PHE N N 15 124.872 0.3 . 1 . . . . . 70 PHE N . 27972 1 227 . 1 . 1 71 71 THR H H 1 8.113 0.020 . 1 . . . . . 71 THR H . 27972 1 228 . 1 . 1 71 71 THR CA C 13 61.438 0.3 . 1 . . . . . 71 THR CA . 27972 1 229 . 1 . 1 71 71 THR CB C 13 70.011 0.3 . 1 . . . . . 71 THR CB . 27972 1 230 . 1 . 1 71 71 THR N N 15 116.451 0.3 . 1 . . . . . 71 THR N . 27972 1 231 . 1 . 1 72 72 SER H H 1 7.884 0.020 . 1 . . . . . 72 SER H . 27972 1 232 . 1 . 1 72 72 SER CA C 13 60.014 0.3 . 1 . . . . . 72 SER CA . 27972 1 233 . 1 . 1 72 72 SER CB C 13 64.742 0.3 . 1 . . . . . 72 SER CB . 27972 1 234 . 1 . 1 72 72 SER N N 15 123.350 0.3 . 1 . . . . . 72 SER N . 27972 1 stop_ save_