data_51534 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51534 _Entry.Title ; Sox2-Nterminal(aa1-42) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-26 _Entry.Accession_date 2022-07-26 _Entry.Last_release_date 2022-07-26 _Entry.Original_release_date 2022-07-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Backbone assignment of human Sox2 N-terminal' _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 Francois-Xavier Theillet . . . 0000-0002-3264-210X 51534 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51534 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 115 51534 '15N chemical shifts' 37 51534 '1H chemical shifts' 37 51534 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 . . 2023-07-25 2022-07-26 update author 'add time-domain datasets' 51534 1 . . 2022-08-26 2022-07-26 original author 'original release' 51534 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51534 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Advanced NMR characterization and sensitive detection of isoAs-partate in proteins. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Francois-Xavier Theillet . . . . 51534 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51534 _Assembly.ID 1 _Assembly.Name Sox2(aa1-42) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Sox2(aa1-42) 1 $entity_1 . . yes native no no . . . 51534 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 51534 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51534 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMYNMMETELKPPGPQQTSG GGGGNSTAAAAGGNQKNSPD RVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'One supplementary Glycine in N-terminal, remaining from Tev-motif (ENLYFQG) after cleavage by Tev-protease.' _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 51534 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51534 1 2 . MET . 51534 1 3 . TYR . 51534 1 4 . ASN . 51534 1 5 . MET . 51534 1 6 . MET . 51534 1 7 . GLU . 51534 1 8 . THR . 51534 1 9 . GLU . 51534 1 10 . LEU . 51534 1 11 . LYS . 51534 1 12 . PRO . 51534 1 13 . PRO . 51534 1 14 . GLY . 51534 1 15 . PRO . 51534 1 16 . GLN . 51534 1 17 . GLN . 51534 1 18 . THR . 51534 1 19 . SER . 51534 1 20 . GLY . 51534 1 21 . GLY . 51534 1 22 . GLY . 51534 1 23 . GLY . 51534 1 24 . GLY . 51534 1 25 . ASN . 51534 1 26 . SER . 51534 1 27 . THR . 51534 1 28 . ALA . 51534 1 29 . ALA . 51534 1 30 . ALA . 51534 1 31 . ALA . 51534 1 32 . GLY . 51534 1 33 . GLY . 51534 1 34 . ASN . 51534 1 35 . GLN . 51534 1 36 . LYS . 51534 1 37 . ASN . 51534 1 38 . SER . 51534 1 39 . PRO . 51534 1 40 . ASP . 51534 1 41 . ARG . 51534 1 42 . VAL . 51534 1 43 . LYS . 51534 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51534 1 . MET 2 2 51534 1 . TYR 3 3 51534 1 . ASN 4 4 51534 1 . MET 5 5 51534 1 . MET 6 6 51534 1 . GLU 7 7 51534 1 . THR 8 8 51534 1 . GLU 9 9 51534 1 . LEU 10 10 51534 1 . LYS 11 11 51534 1 . PRO 12 12 51534 1 . PRO 13 13 51534 1 . GLY 14 14 51534 1 . PRO 15 15 51534 1 . GLN 16 16 51534 1 . GLN 17 17 51534 1 . THR 18 18 51534 1 . SER 19 19 51534 1 . GLY 20 20 51534 1 . GLY 21 21 51534 1 . GLY 22 22 51534 1 . GLY 23 23 51534 1 . GLY 24 24 51534 1 . ASN 25 25 51534 1 . SER 26 26 51534 1 . THR 27 27 51534 1 . ALA 28 28 51534 1 . ALA 29 29 51534 1 . ALA 30 30 51534 1 . ALA 31 31 51534 1 . GLY 32 32 51534 1 . GLY 33 33 51534 1 . ASN 34 34 51534 1 . GLN 35 35 51534 1 . LYS 36 36 51534 1 . ASN 37 37 51534 1 . SER 38 38 51534 1 . PRO 39 39 51534 1 . ASP 40 40 51534 1 . ARG 41 41 51534 1 . VAL 42 42 51534 1 . LYS 43 43 51534 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51534 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51534 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51534 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)Star . . plasmid . . pet41b(+) . . . 51534 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51534 _Sample.ID 1 _Sample.Name Sox2(aa1-42) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Sox2(aa1-42) '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 51534 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 51534 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51534 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM 0.1 . . . 51534 1 5 'protease inhibitor cocktail' 'natural abundance' . . . . . . 2 . . tablet/100mL . . . . 51534 1 6 GST-His6-Tev '[U-98% 13C; U-98% 15N]' . . . . . . 0.8 . . mM 0.1 . . . 51534 1 7 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51534 1 8 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 51534 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 51534 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment conditions' _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' 0.06 . M 51534 1 pH 6.8 .05 pH 51534 1 pressure 1 . atm 51534 1 temperature 283 1 K 51534 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51534 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51534 1 processing . 51534 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51534 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51534 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51534 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III-700 MHz-CEA Saclay' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51534 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 6 '3D HN(CA)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51534 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '1D 1H' 220.zip . 'Time-domain (raw spectral data)' . . 51534 1 2 '2D 1H-15N HSQC' 222.zip . 'Time-domain (raw spectral data)' . . 51534 1 3 '3D HNCO' 206.zip . 'Time-domain (raw spectral data)' . . 51534 1 4 '3D HNCACB' 207.zip . 'Time-domain (raw spectral data)' . . 51534 1 5 '3D HN(CA)CO' 208.zip . 'Time-domain (raw spectral data)' . . 51534 1 6 '3D HN(CA)NH' 209.zip . 'Time-domain (raw spectral data)' . . 51534 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51534 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Sox2(aa1-42) assignment' _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 -0.265 internal indirect 0.251449530 . . . . . 51534 1 H 1 DSS 'methyl protons' . . . . ppm -0.265 internal direct 1.000000000 . . . . . 51534 1 N 15 DSS 'methyl protons' . . . . ppm -0.265 internal indirect 0.101329118 . . . . . 51534 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 51534 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Sox2(aa1-42)_assign _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 51534 1 3 '3D HNCO' . . . 51534 1 4 '3D HNCACB' . . . 51534 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51534 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 2 2 MET C C 13 175.7560153 0 . 1 . . . . . 2 MET C . 51534 1 2 . 1 . 1 2 2 MET CA C 13 55.93438358 0 . 1 . . . . . 2 MET CA . 51534 1 3 . 1 . 1 2 2 MET CB C 13 32.73096013 0 . 1 . . . . . 2 MET CB . 51534 1 4 . 1 . 1 3 3 TYR H H 1 8.205240802 0.001640600176 . 1 . . . . . 3 TYR H . 51534 1 5 . 1 . 1 3 3 TYR C C 13 175.0922314 0 . 1 . . . . . 3 TYR C . 51534 1 6 . 1 . 1 3 3 TYR CA C 13 57.49600548 0 . 1 . . . . . 3 TYR CA . 51534 1 7 . 1 . 1 3 3 TYR CB C 13 38.43797834 0 . 1 . . . . . 3 TYR CB . 51534 1 8 . 1 . 1 3 3 TYR N N 15 120.5452687 0.004272099676 . 1 . . . . . 3 TYR N . 51534 1 9 . 1 . 1 4 4 ASN H H 1 8.153011581 0.003049206028 . 1 . . . . . 4 ASN H . 51534 1 10 . 1 . 1 4 4 ASN C C 13 174.6873275 0 . 1 . . . . . 4 ASN C . 51534 1 11 . 1 . 1 4 4 ASN CA C 13 52.904923 0 . 1 . . . . . 4 ASN CA . 51534 1 12 . 1 . 1 4 4 ASN CB C 13 38.46826279 0 . 1 . . . . . 4 ASN CB . 51534 1 13 . 1 . 1 4 4 ASN N N 15 120.6130929 0.0347461201 . 1 . . . . . 4 ASN N . 51534 1 14 . 1 . 1 5 5 MET H H 1 8.137394424 0.002275598118 . 1 . . . . . 5 MET H . 51534 1 15 . 1 . 1 5 5 MET C C 13 176.064256 0 . 1 . . . . . 5 MET C . 51534 1 16 . 1 . 1 5 5 MET CA C 13 55.87061901 0 . 1 . . . . . 5 MET CA . 51534 1 17 . 1 . 1 5 5 MET CB C 13 32.08881598 0 . 1 . . . . . 5 MET CB . 51534 1 18 . 1 . 1 5 5 MET N N 15 120.5701057 0.02807910524 . 1 . . . . . 5 MET N . 51534 1 19 . 1 . 1 6 6 MET H H 1 8.16569581 0.001557803305 . 1 . . . . . 6 MET H . 51534 1 20 . 1 . 1 6 6 MET C C 13 176.1988483 0 . 1 . . . . . 6 MET C . 51534 1 21 . 1 . 1 6 6 MET CA C 13 55.36416743 0 . 1 . . . . . 6 MET CA . 51534 1 22 . 1 . 1 6 6 MET CB C 13 32.29165583 0 . 1 . . . . . 6 MET CB . 51534 1 23 . 1 . 1 6 6 MET N N 15 120.4594586 0.07586613967 . 1 . . . . . 6 MET N . 51534 1 24 . 1 . 1 7 7 GLU H H 1 8.216519586 0.002675010975 . 1 . . . . . 7 GLU H . 51534 1 25 . 1 . 1 7 7 GLU C C 13 176.4993963 0 . 1 . . . . . 7 GLU C . 51534 1 26 . 1 . 1 7 7 GLU CA C 13 56.622218 0 . 1 . . . . . 7 GLU CA . 51534 1 27 . 1 . 1 7 7 GLU CB C 13 29.83546878 0 . 1 . . . . . 7 GLU CB . 51534 1 28 . 1 . 1 7 7 GLU N N 15 121.8314714 0.007545477339 . 1 . . . . . 7 GLU N . 51534 1 29 . 1 . 1 8 8 THR H H 1 7.94516074 0 . 1 . . . . . 8 THR H . 51534 1 30 . 1 . 1 8 8 THR C C 13 174.2249788 0 . 1 . . . . . 8 THR C . 51534 1 31 . 1 . 1 8 8 THR CA C 13 61.9981361 0 . 1 . . . . . 8 THR CA . 51534 1 32 . 1 . 1 8 8 THR CB C 13 69.51235764 0 . 1 . . . . . 8 THR CB . 51534 1 33 . 1 . 1 8 8 THR N N 15 114.6586315 0.009151675888 . 1 . . . . . 8 THR N . 51534 1 34 . 1 . 1 9 9 GLU H H 1 8.183723113 0.003189613222 . 1 . . . . . 9 GLU H . 51534 1 35 . 1 . 1 9 9 GLU C C 13 175.8901773 0 . 1 . . . . . 9 GLU C . 51534 1 36 . 1 . 1 9 9 GLU CA C 13 56.39514132 0 . 1 . . . . . 9 GLU CA . 51534 1 37 . 1 . 1 9 9 GLU CB C 13 30.10660048 0 . 1 . . . . . 9 GLU CB . 51534 1 38 . 1 . 1 9 9 GLU N N 15 123.2884831 0.009151675888 . 1 . . . . . 9 GLU N . 51534 1 39 . 1 . 1 10 10 LEU H H 1 8.103993014 0.0003517327814 . 1 . . . . . 10 LEU H . 51534 1 40 . 1 . 1 10 10 LEU C C 13 176.7205541 0 . 1 . . . . . 10 LEU C . 51534 1 41 . 1 . 1 10 10 LEU CA C 13 54.78417376 0 . 1 . . . . . 10 LEU CA . 51534 1 42 . 1 . 1 10 10 LEU CB C 13 41.9279691 0 . 1 . . . . . 10 LEU CB . 51534 1 43 . 1 . 1 10 10 LEU N N 15 123.9147119 0.005972909676 . 1 . . . . . 10 LEU N . 51534 1 44 . 1 . 1 11 11 LYS H H 1 8.158807107 0.0008623985936 . 1 . . . . . 11 LYS H . 51534 1 45 . 1 . 1 11 11 LYS C C 13 173.6223845 0 . 1 . . . . . 11 LYS C . 51534 1 46 . 1 . 1 11 11 LYS CA C 13 53.5558969 0 . 1 . . . . . 11 LYS CA . 51534 1 47 . 1 . 1 11 11 LYS CB C 13 32.17456494 0 . 1 . . . . . 11 LYS CB . 51534 1 48 . 1 . 1 11 11 LYS N N 15 124.0629957 0.00000190735 . 1 . . . . . 11 LYS N . 51534 1 49 . 1 . 1 13 13 PRO C C 13 177.0560173 0 . 1 . . . . . 13 PRO C . 51534 1 50 . 1 . 1 13 13 PRO CA C 13 62.90152933 0 . 1 . . . . . 13 PRO CA . 51534 1 51 . 1 . 1 13 13 PRO CB C 13 31.88074181 0 . 1 . . . . . 13 PRO CB . 51534 1 52 . 1 . 1 14 14 GLY H H 1 8.105328292 0.001657763072 . 1 . . . . . 14 GLY H . 51534 1 53 . 1 . 1 14 14 GLY C C 13 171.6448927 0 . 1 . . . . . 14 GLY C . 51534 1 54 . 1 . 1 14 14 GLY CA C 13 44.25703691 0 . 1 . . . . . 14 GLY CA . 51534 1 55 . 1 . 1 14 14 GLY N N 15 108.8051849 0.01158881234 . 1 . . . . . 14 GLY N . 51534 1 56 . 1 . 1 15 15 PRO C C 13 177.087546 0 . 1 . . . . . 15 PRO C . 51534 1 57 . 1 . 1 15 15 PRO CA C 13 63.00310431 0 . 1 . . . . . 15 PRO CA . 51534 1 58 . 1 . 1 15 15 PRO CB C 13 31.6747132 0 . 1 . . . . . 15 PRO CB . 51534 1 59 . 1 . 1 16 16 GLN H H 1 8.414541911 0.002301879616 . 1 . . . . . 16 GLN H . 51534 1 60 . 1 . 1 16 16 GLN C C 13 175.9499276 0 . 1 . . . . . 16 GLN C . 51534 1 61 . 1 . 1 16 16 GLN CA C 13 55.64784732 0 . 1 . . . . . 16 GLN CA . 51534 1 62 . 1 . 1 16 16 GLN CB C 13 29.09041127 0 . 1 . . . . . 16 GLN CB . 51534 1 63 . 1 . 1 16 16 GLN N N 15 120.4130894 0.004269285171 . 1 . . . . . 16 GLN N . 51534 1 64 . 1 . 1 17 17 GLN H H 1 8.310026256 0.001052891727 . 1 . . . . . 17 GLN H . 51534 1 65 . 1 . 1 17 17 GLN C C 13 176.0372017 0 . 1 . . . . . 17 GLN C . 51534 1 66 . 1 . 1 17 17 GLN CA C 13 55.76986859 0 . 1 . . . . . 17 GLN CA . 51534 1 67 . 1 . 1 17 17 GLN CB C 13 29.21989967 0 . 1 . . . . . 17 GLN CB . 51534 1 68 . 1 . 1 17 17 GLN N N 15 121.8376739 0.008065995945 . 1 . . . . . 17 GLN N . 51534 1 69 . 1 . 1 18 18 THR H H 1 8.126868215 0.001360592222 . 1 . . . . . 18 THR H . 51534 1 70 . 1 . 1 18 18 THR C C 13 174.4917115 0 . 1 . . . . . 18 THR C . 51534 1 71 . 1 . 1 18 18 THR CA C 13 61.61285673 0 . 1 . . . . . 18 THR CA . 51534 1 72 . 1 . 1 18 18 THR CB C 13 69.59382135 0 . 1 . . . . . 18 THR CB . 51534 1 73 . 1 . 1 18 18 THR N N 15 115.2639866 0.01028132392 . 1 . . . . . 18 THR N . 51534 1 74 . 1 . 1 19 19 SER H H 1 8.254162834 0.001773122892 . 1 . . . . . 19 SER H . 51534 1 75 . 1 . 1 19 19 SER C C 13 174.939363 0 . 1 . . . . . 19 SER C . 51534 1 76 . 1 . 1 19 19 SER CA C 13 58.19858883 0 . 1 . . . . . 19 SER CA . 51534 1 77 . 1 . 1 19 19 SER CB C 13 63.61071468 0 . 1 . . . . . 19 SER CB . 51534 1 78 . 1 . 1 19 19 SER N N 15 117.9184328 0.003178766597 . 1 . . . . . 19 SER N . 51534 1 79 . 1 . 1 20 20 GLY H H 1 8.345988911 0.0007082621078 . 1 . . . . . 20 GLY H . 51534 1 80 . 1 . 1 20 20 GLY C C 13 174.6411446 0 . 1 . . . . . 20 GLY C . 51534 1 81 . 1 . 1 20 20 GLY CA C 13 45.20836736 0 . 1 . . . . . 20 GLY CA . 51534 1 82 . 1 . 1 20 20 GLY N N 15 110.8568755 0.009963082824 . 1 . . . . . 20 GLY N . 51534 1 83 . 1 . 1 21 21 GLY H H 1 8.166802291 0.0006659356246 . 1 . . . . . 21 GLY H . 51534 1 84 . 1 . 1 21 21 GLY C C 13 174.677542 0 . 1 . . . . . 21 GLY C . 51534 1 85 . 1 . 1 21 21 GLY CA C 13 45.14469529 0 . 1 . . . . . 21 GLY CA . 51534 1 86 . 1 . 1 21 21 GLY N N 15 108.5664269 0.01977220414 . 1 . . . . . 21 GLY N . 51534 1 87 . 1 . 1 22 22 GLY H H 1 8.232959527 0.003924004081 . 1 . . . . . 22 GLY H . 51534 1 88 . 1 . 1 22 22 GLY C C 13 174.7007825 0 . 1 . . . . . 22 GLY C . 51534 1 89 . 1 . 1 22 22 GLY CA C 13 45.05389237 0 . 1 . . . . . 22 GLY CA . 51534 1 90 . 1 . 1 22 22 GLY N N 15 108.7217809 0.00714580026 . 1 . . . . . 22 GLY N . 51534 1 91 . 1 . 1 23 23 GLY H H 1 8.224073727 0.003539579268 . 1 . . . . . 23 GLY H . 51534 1 92 . 1 . 1 23 23 GLY C C 13 174.7146643 0 . 1 . . . . . 23 GLY C . 51534 1 93 . 1 . 1 23 23 GLY CA C 13 45.05389237 0 . 1 . . . . . 23 GLY CA . 51534 1 94 . 1 . 1 23 23 GLY N N 15 108.7083066 0.01190966746 . 1 . . . . . 23 GLY N . 51534 1 95 . 1 . 1 24 24 GLY H H 1 8.193850903 0.0009059749307 . 1 . . . . . 24 GLY H . 51534 1 96 . 1 . 1 24 24 GLY C C 13 173.8680915 0 . 1 . . . . . 24 GLY C . 51534 1 97 . 1 . 1 24 24 GLY CA C 13 45.05216465 0 . 1 . . . . . 24 GLY CA . 51534 1 98 . 1 . 1 24 24 GLY N N 15 108.7083335 0.03761501062 . 1 . . . . . 24 GLY N . 51534 1 99 . 1 . 1 25 25 ASN H H 1 8.217393391 0.001209501306 . 1 . . . . . 25 ASN H . 51534 1 100 . 1 . 1 25 25 ASN C C 13 175.3789817 0 . 1 . . . . . 25 ASN C . 51534 1 101 . 1 . 1 25 25 ASN CA C 13 52.98682513 0 . 1 . . . . . 25 ASN CA . 51534 1 102 . 1 . 1 25 25 ASN CB C 13 38.57837546 0 . 1 . . . . . 25 ASN CB . 51534 1 103 . 1 . 1 25 25 ASN N N 15 118.5417904 0.00000190735 . 1 . . . . . 25 ASN N . 51534 1 104 . 1 . 1 26 26 SER H H 1 8.22272288 0.002428914111 . 1 . . . . . 26 SER H . 51534 1 105 . 1 . 1 26 26 SER C C 13 174.8420489 0 . 1 . . . . . 26 SER C . 51534 1 106 . 1 . 1 26 26 SER CA C 13 58.64282693 0 . 1 . . . . . 26 SER CA . 51534 1 107 . 1 . 1 26 26 SER CB C 13 63.49961109 0 . 1 . . . . . 26 SER CB . 51534 1 108 . 1 . 1 26 26 SER N N 15 116.3259207 0 . 1 . . . . . 26 SER N . 51534 1 109 . 1 . 1 27 27 THR H H 1 8.048591324 0.0003447994085 . 1 . . . . . 27 THR H . 51534 1 110 . 1 . 1 27 27 THR C C 13 174.3784494 0 . 1 . . . . . 27 THR C . 51534 1 111 . 1 . 1 27 27 THR CA C 13 62.01081889 0 . 1 . . . . . 27 THR CA . 51534 1 112 . 1 . 1 27 27 THR CB C 13 69.34344919 0 . 1 . . . . . 27 THR CB . 51534 1 113 . 1 . 1 27 27 THR N N 15 115.9514328 0 . 1 . . . . . 27 THR N . 51534 1 114 . 1 . 1 28 28 ALA H H 1 8.06619799 0.001469040738 . 1 . . . . . 28 ALA H . 51534 1 115 . 1 . 1 28 28 ALA C C 13 177.5646223 0 . 1 . . . . . 28 ALA C . 51534 1 116 . 1 . 1 28 28 ALA CA C 13 52.62470696 0 . 1 . . . . . 28 ALA CA . 51534 1 117 . 1 . 1 28 28 ALA CB C 13 18.79165046 0 . 1 . . . . . 28 ALA CB . 51534 1 118 . 1 . 1 28 28 ALA N N 15 126.2483305 0.01097581562 . 1 . . . . . 28 ALA N . 51534 1 119 . 1 . 1 29 29 ALA H H 1 8.064422003 0.002561135657 . 1 . . . . . 29 ALA H . 51534 1 120 . 1 . 1 29 29 ALA C C 13 177.650099 0 . 1 . . . . . 29 ALA C . 51534 1 121 . 1 . 1 29 29 ALA CA C 13 52.67650675 0 . 1 . . . . . 29 ALA CA . 51534 1 122 . 1 . 1 29 29 ALA CB C 13 18.75231749 0 . 1 . . . . . 29 ALA CB . 51534 1 123 . 1 . 1 29 29 ALA N N 15 123.124491 0.0437696228 . 1 . . . . . 29 ALA N . 51534 1 124 . 1 . 1 30 30 ALA H H 1 8.019732832 0.001280463104 . 1 . . . . . 30 ALA H . 51534 1 125 . 1 . 1 30 30 ALA C C 13 177.5834772 0 . 1 . . . . . 30 ALA C . 51534 1 126 . 1 . 1 30 30 ALA CA C 13 52.35536928 0 . 1 . . . . . 30 ALA CA . 51534 1 127 . 1 . 1 30 30 ALA CB C 13 18.8540232 0 . 1 . . . . . 30 ALA CB . 51534 1 128 . 1 . 1 30 30 ALA N N 15 123.1182374 0.05460112336 . 1 . . . . . 30 ALA N . 51534 1 129 . 1 . 1 31 31 ALA H H 1 8.07326487 0.002477413197 . 1 . . . . . 31 ALA H . 51534 1 130 . 1 . 1 31 31 ALA C C 13 178.1934863 0 . 1 . . . . . 31 ALA C . 51534 1 131 . 1 . 1 31 31 ALA CA C 13 52.56110879 0 . 1 . . . . . 31 ALA CA . 51534 1 132 . 1 . 1 31 31 ALA CB C 13 18.89394457 0 . 1 . . . . . 31 ALA CB . 51534 1 133 . 1 . 1 31 31 ALA N N 15 123.2159539 0.06619249532 . 1 . . . . . 31 ALA N . 51534 1 134 . 1 . 1 32 32 GLY H H 1 8.165644735 0.001581677659 . 1 . . . . . 32 GLY H . 51534 1 135 . 1 . 1 32 32 GLY C C 13 174.6523498 0 . 1 . . . . . 32 GLY C . 51534 1 136 . 1 . 1 32 32 GLY CA C 13 45.097346 0 . 1 . . . . . 32 GLY CA . 51534 1 137 . 1 . 1 32 32 GLY N N 15 107.909943 0.001912343637 . 1 . . . . . 32 GLY N . 51534 1 138 . 1 . 1 33 33 GLY H H 1 8.070640195 0.0006501872238 . 1 . . . . . 33 GLY H . 51534 1 139 . 1 . 1 33 33 GLY C C 13 173.8927879 0 . 1 . . . . . 33 GLY C . 51534 1 140 . 1 . 1 33 33 GLY CA C 13 45.00183308 0 . 1 . . . . . 33 GLY CA . 51534 1 141 . 1 . 1 33 33 GLY N N 15 108.2784044 0.02561151395 . 1 . . . . . 33 GLY N . 51534 1 142 . 1 . 1 34 34 ASN H H 1 8.235195178 0.002155053202 . 1 . . . . . 34 ASN H . 51534 1 143 . 1 . 1 34 34 ASN C C 13 175.2249609 0 . 1 . . . . . 34 ASN C . 51534 1 144 . 1 . 1 34 34 ASN CA C 13 53.16419916 0 . 1 . . . . . 34 ASN CA . 51534 1 145 . 1 . 1 34 34 ASN CB C 13 38.48576239 0 . 1 . . . . . 34 ASN CB . 51534 1 146 . 1 . 1 34 34 ASN N N 15 118.3718728 0.006502480189 . 1 . . . . . 34 ASN N . 51534 1 147 . 1 . 1 35 35 GLN H H 1 8.253515641 0.002831855821 . 1 . . . . . 35 GLN H . 51534 1 148 . 1 . 1 35 35 GLN C C 13 175.8922377 0 . 1 . . . . . 35 GLN C . 51534 1 149 . 1 . 1 35 35 GLN CA C 13 55.85539356 0 . 1 . . . . . 35 GLN CA . 51534 1 150 . 1 . 1 35 35 GLN CB C 13 28.91919643 0 . 1 . . . . . 35 GLN CB . 51534 1 151 . 1 . 1 35 35 GLN N N 15 120.5082047 0.005517537298 . 1 . . . . . 35 GLN N . 51534 1 152 . 1 . 1 36 36 LYS H H 1 8.189143824 0.001420007617 . 1 . . . . . 36 LYS H . 51534 1 153 . 1 . 1 36 36 LYS C C 13 176.1455522 0 . 1 . . . . . 36 LYS C . 51534 1 154 . 1 . 1 36 36 LYS CA C 13 56.25083817 0 . 1 . . . . . 36 LYS CA . 51534 1 155 . 1 . 1 36 36 LYS CB C 13 32.54335137 0 . 1 . . . . . 36 LYS CB . 51534 1 156 . 1 . 1 36 36 LYS N N 15 121.9979398 0.005517537628 . 1 . . . . . 36 LYS N . 51534 1 157 . 1 . 1 37 37 ASN H H 1 8.257239574 0.0009925209169 . 1 . . . . . 37 ASN H . 51534 1 158 . 1 . 1 37 37 ASN C C 13 174.6510963 0 . 1 . . . . . 37 ASN C . 51534 1 159 . 1 . 1 37 37 ASN CA C 13 53.01945404 0 . 1 . . . . . 37 ASN CA . 51534 1 160 . 1 . 1 37 37 ASN CB C 13 38.6768316 0 . 1 . . . . . 37 ASN CB . 51534 1 161 . 1 . 1 37 37 ASN N N 15 119.2900908 0 . 1 . . . . . 37 ASN N . 51534 1 162 . 1 . 1 38 38 SER H H 1 8.046792656 0.001192768823 . 1 . . . . . 38 SER H . 51534 1 163 . 1 . 1 38 38 SER C C 13 172.7667824 0 . 1 . . . . . 38 SER C . 51534 1 164 . 1 . 1 38 38 SER CA C 13 56.29351095 0 . 1 . . . . . 38 SER CA . 51534 1 165 . 1 . 1 38 38 SER CB C 13 63.16613348 0 . 1 . . . . . 38 SER CB . 51534 1 166 . 1 . 1 38 38 SER N N 15 116.9727251 0.00000190735 . 1 . . . . . 38 SER N . 51534 1 167 . 1 . 1 39 39 PRO C C 13 176.4006596 0 . 1 . . . . . 39 PRO C . 51534 1 168 . 1 . 1 39 39 PRO CA C 13 63.27557998 0 . 1 . . . . . 39 PRO CA . 51534 1 169 . 1 . 1 39 39 PRO CB C 13 31.71525231 0 . 1 . . . . . 39 PRO CB . 51534 1 170 . 1 . 1 40 40 ASP H H 1 8.142741892 0.001232625345 . 1 . . . . . 40 ASP H . 51534 1 171 . 1 . 1 40 40 ASP C C 13 175.8428681 0 . 1 . . . . . 40 ASP C . 51534 1 172 . 1 . 1 40 40 ASP CA C 13 54.22786313 0 . 1 . . . . . 40 ASP CA . 51534 1 173 . 1 . 1 40 40 ASP CB C 13 40.67974236 0 . 1 . . . . . 40 ASP CB . 51534 1 174 . 1 . 1 40 40 ASP N N 15 119.6174524 0.006131032072 . 1 . . . . . 40 ASP N . 51534 1 175 . 1 . 1 41 41 ARG H H 1 7.935413506 0.001029205923 . 1 . . . . . 41 ARG H . 51534 1 176 . 1 . 1 41 41 ARG C C 13 175.8507243 0 . 1 . . . . . 41 ARG C . 51534 1 177 . 1 . 1 41 41 ARG CA C 13 55.65798612 0 . 1 . . . . . 41 ARG CA . 51534 1 178 . 1 . 1 41 41 ARG CB C 13 30.64849072 0 . 1 . . . . . 41 ARG CB . 51534 1 179 . 1 . 1 41 41 ARG N N 15 120.890743 0.01813526157 . 1 . . . . . 41 ARG N . 51534 1 180 . 1 . 1 42 42 VAL H H 1 8.04457101 0.001700214045 . 1 . . . . . 42 VAL H . 51534 1 181 . 1 . 1 42 42 VAL C C 13 175.1475927 0 . 1 . . . . . 42 VAL C . 51534 1 182 . 1 . 1 42 42 VAL CA C 13 62.3708083 0 . 1 . . . . . 42 VAL CA . 51534 1 183 . 1 . 1 42 42 VAL CB C 13 32.19535843 0 . 1 . . . . . 42 VAL CB . 51534 1 184 . 1 . 1 42 42 VAL N N 15 122.1509933 0.01307907677 . 1 . . . . . 42 VAL N . 51534 1 185 . 1 . 1 43 43 LYS H H 1 7.806118272 0.002505073866 . 1 . . . . . 43 LYS H . 51534 1 186 . 1 . 1 43 43 LYS C C 13 172.9832043 0 . 1 . . . . . 43 LYS C . 51534 1 187 . 1 . 1 43 43 LYS CA C 13 57.55508804 0 . 1 . . . . . 43 LYS CA . 51534 1 188 . 1 . 1 43 43 LYS CB C 13 33.39199195 0 . 1 . . . . . 43 LYS CB . 51534 1 189 . 1 . 1 43 43 LYS N N 15 129.9597978 0.003269307392 . 1 . . . . . 43 LYS N . 51534 1 stop_ save_