data_27336 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27336 _Entry.Title ; N-terminal domain of FOXO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-07 _Entry.Accession_date 2017-12-07 _Entry.Last_release_date 2017-12-07 _Entry.Original_release_date 2017-12-07 _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 'N-terminal domain of FOXO1 (1-45) with a N-termianl HN-tag.' _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 Maria Saline . . . . 27336 2 Lukas Badertscher . . . . 27336 3 Anders Gunnarsson . . . . 27336 4 Melanie Snow . . . . 27336 5 Tomas Jacso . . . . 27336 6 Tyrrell Norris . . . . 27336 7 Arjan Snijder . . . . 27336 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Discovery Sciences Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Gothenburg, Sweden' . 27336 2 . 'Discovery Sciences Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Macclesfield, UK' . 27336 3 . 'Nuevolution AB (publ.), Ronnegade 8, DK-2100 Copenhagen, Denmark' . 27336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 86 27336 '15N chemical shifts' 44 27336 '1H chemical shifts' 44 27336 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 3 . . 2022-04-04 2017-12-07 update BMRB 'update Polymer_type' 27336 2 . . 2019-11-11 2017-12-07 update BMRB 'update entry citation' 27336 1 . . 2019-07-15 2017-12-07 original author 'original release' 27336 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27320 'transcription factor FOXO1' 27336 BMRB 27337 'N-terminal FOXO1 pThr24' 27336 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27336 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31308176 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 294 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 13106 _Citation.Page_last 13116 _Citation.Year 2019 _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 Maria Saline M. . . . 27336 1 2 Lukas Badertscher L. . . . 27336 1 3 Madita Wolter M. . . . 27336 1 4 Roxanne Lau R. . . . 27336 1 5 Anders Gunnarsson A. . . . 27336 1 6 Tomas Jacso T. . . . 27336 1 7 Tyrrell Norris T. . . . 27336 1 8 Christian Ottmann C. . . . 27336 1 9 Arjan Snijder A. . . . 27336 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AMPK 27336 1 FOXO1 27336 1 IDP 27336 1 regulation 27336 1 transcriptionfactor 27336 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27336 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of FOXO1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'transcription factor FOXO1' 1 $transcription_factor_FOXO1 A . yes 'intrinsically disordered' no no . . . 27336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_transcription_factor_FOXO1 _Entity.Sf_category entity _Entity.Sf_framecode transcription_factor_FOXO1 _Entity.Entry_ID 27336 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name transcription_factor_FOXO1 _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 ; MAHNHNHNHNHNHNENLYFQ GMAEAPQVVEIDPDFEPLPR PRSCTWPLPRPEFSQSNSAT SSPAPSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-21 represent a non-native affinity tag, followed by the initial 45 residues in FOXO1.' _Entity.Ambiguous_conformational_states yes _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of FOXO1' _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 . MET . 27336 1 2 . ALA . 27336 1 3 . HIS . 27336 1 4 . ASN . 27336 1 5 . HIS . 27336 1 6 . ASN . 27336 1 7 . HIS . 27336 1 8 . ASN . 27336 1 9 . HIS . 27336 1 10 . ASN . 27336 1 11 . HIS . 27336 1 12 . ASN . 27336 1 13 . HIS . 27336 1 14 . ASN . 27336 1 15 . GLU . 27336 1 16 . ASN . 27336 1 17 . LEU . 27336 1 18 . TYR . 27336 1 19 . PHE . 27336 1 20 . GLN . 27336 1 21 . GLY . 27336 1 22 . MET . 27336 1 23 . ALA . 27336 1 24 . GLU . 27336 1 25 . ALA . 27336 1 26 . PRO . 27336 1 27 . GLN . 27336 1 28 . VAL . 27336 1 29 . VAL . 27336 1 30 . GLU . 27336 1 31 . ILE . 27336 1 32 . ASP . 27336 1 33 . PRO . 27336 1 34 . ASP . 27336 1 35 . PHE . 27336 1 36 . GLU . 27336 1 37 . PRO . 27336 1 38 . LEU . 27336 1 39 . PRO . 27336 1 40 . ARG . 27336 1 41 . PRO . 27336 1 42 . ARG . 27336 1 43 . SER . 27336 1 44 . CYS . 27336 1 45 . THR . 27336 1 46 . TRP . 27336 1 47 . PRO . 27336 1 48 . LEU . 27336 1 49 . PRO . 27336 1 50 . ARG . 27336 1 51 . PRO . 27336 1 52 . GLU . 27336 1 53 . PHE . 27336 1 54 . SER . 27336 1 55 . GLN . 27336 1 56 . SER . 27336 1 57 . ASN . 27336 1 58 . SER . 27336 1 59 . ALA . 27336 1 60 . THR . 27336 1 61 . SER . 27336 1 62 . SER . 27336 1 63 . PRO . 27336 1 64 . ALA . 27336 1 65 . PRO . 27336 1 66 . SER . 27336 1 67 . GLY . 27336 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27336 1 . ALA 2 2 27336 1 . HIS 3 3 27336 1 . ASN 4 4 27336 1 . HIS 5 5 27336 1 . ASN 6 6 27336 1 . HIS 7 7 27336 1 . ASN 8 8 27336 1 . HIS 9 9 27336 1 . ASN 10 10 27336 1 . HIS 11 11 27336 1 . ASN 12 12 27336 1 . HIS 13 13 27336 1 . ASN 14 14 27336 1 . GLU 15 15 27336 1 . ASN 16 16 27336 1 . LEU 17 17 27336 1 . TYR 18 18 27336 1 . PHE 19 19 27336 1 . GLN 20 20 27336 1 . GLY 21 21 27336 1 . MET 22 22 27336 1 . ALA 23 23 27336 1 . GLU 24 24 27336 1 . ALA 25 25 27336 1 . PRO 26 26 27336 1 . GLN 27 27 27336 1 . VAL 28 28 27336 1 . VAL 29 29 27336 1 . GLU 30 30 27336 1 . ILE 31 31 27336 1 . ASP 32 32 27336 1 . PRO 33 33 27336 1 . ASP 34 34 27336 1 . PHE 35 35 27336 1 . GLU 36 36 27336 1 . PRO 37 37 27336 1 . LEU 38 38 27336 1 . PRO 39 39 27336 1 . ARG 40 40 27336 1 . PRO 41 41 27336 1 . ARG 42 42 27336 1 . SER 43 43 27336 1 . CYS 44 44 27336 1 . THR 45 45 27336 1 . TRP 46 46 27336 1 . PRO 47 47 27336 1 . LEU 48 48 27336 1 . PRO 49 49 27336 1 . ARG 50 50 27336 1 . PRO 51 51 27336 1 . GLU 52 52 27336 1 . PHE 53 53 27336 1 . SER 54 54 27336 1 . GLN 55 55 27336 1 . SER 56 56 27336 1 . ASN 57 57 27336 1 . SER 58 58 27336 1 . ALA 59 59 27336 1 . THR 60 60 27336 1 . SER 61 61 27336 1 . SER 62 62 27336 1 . PRO 63 63 27336 1 . ALA 64 64 27336 1 . PRO 65 65 27336 1 . SER 66 66 27336 1 . GLY 67 67 27336 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 27336 _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 $transcription_factor_FOXO1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27336 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 27336 _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 $transcription_factor_FOXO1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' star . . . . pEt24 . . . 27336 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_FOXO1 _Sample.Sf_category sample _Sample.Sf_framecode FOXO1 _Sample.Entry_ID 27336 _Sample.ID 1 _Sample.Name . _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 'transcription factor FOXO1' '[U-98% 13C; U-98% 15N]' . . 1 $transcription_factor_FOXO1 . . 200 . . uM . . . . 27336 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27336 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27336 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27336 1 5 MgCl 'natural abundance' . . . . . . 10 . . mM . . . . 27336 1 6 ATP 'natural abundance' . . . . . . 5 . . mM . . . . 27336 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 27336 _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' 100 . mM 27336 1 pH 6.7 . pH 27336 1 pressure 1 . atm 27336 1 temperature 293 . K 27336 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27336 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27336 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27336 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 27336 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'w coldprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27336 _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 . 800 'w coldprobe' . . 27336 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 27336 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $FOXO1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27336 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $FOXO1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27336 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $FOXO1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27336 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $FOXO1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27336 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 27336 _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 water protons . . . . ppm 0 na indirect . . . . . . 27336 1 H 1 water protons . . . . ppm 0 na indirect 1.0 . . . . . 27336 1 N 15 water protons . . . . ppm 0 na indirect . . . . . . 27336 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 27336 _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' . . . 27336 1 2 '3D HNCACB' . . . 27336 1 3 '3D HNCA' . . . 27336 1 4 '3D HN(COCA)CB' . . . 27336 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27336 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 14 14 ASN H H 1 8.304 0.021 . 1 . . . . . 14 ASN H . 27336 1 2 . 1 . 1 14 14 ASN CA C 13 53.519 0.009 . 1 . . . . . 14 ASN CA . 27336 1 3 . 1 . 1 14 14 ASN CB C 13 38.599 0.000 . 1 . . . . . 14 ASN CB . 27336 1 4 . 1 . 1 14 14 ASN N N 15 118.769 0.109 . 1 . . . . . 14 ASN N . 27336 1 5 . 1 . 1 15 15 GLU H H 1 8.238 0.028 . 1 . . . . . 15 GLU H . 27336 1 6 . 1 . 1 15 15 GLU CA C 13 56.124 0.000 . 1 . . . . . 15 GLU CA . 27336 1 7 . 1 . 1 15 15 GLU CB C 13 30.425 0.000 . 1 . . . . . 15 GLU CB . 27336 1 8 . 1 . 1 15 15 GLU N N 15 120.301 0.178 . 1 . . . . . 15 GLU N . 27336 1 9 . 1 . 1 16 16 ASN H H 1 8.278 0.036 . 1 . . . . . 16 ASN H . 27336 1 10 . 1 . 1 16 16 ASN CA C 13 53.235 0.000 . 1 . . . . . 16 ASN CA . 27336 1 11 . 1 . 1 16 16 ASN CB C 13 38.616 0.009 . 1 . . . . . 16 ASN CB . 27336 1 12 . 1 . 1 16 16 ASN N N 15 119.618 0.164 . 1 . . . . . 16 ASN N . 27336 1 13 . 1 . 1 17 17 LEU H H 1 7.999 0.025 . 1 . . . . . 17 LEU H . 27336 1 14 . 1 . 1 17 17 LEU CA C 13 55.630 0.000 . 1 . . . . . 17 LEU CA . 27336 1 15 . 1 . 1 17 17 LEU CB C 13 38.573 0.000 . 1 . . . . . 17 LEU CB . 27336 1 16 . 1 . 1 17 17 LEU N N 15 121.864 0.190 . 1 . . . . . 17 LEU N . 27336 1 17 . 1 . 1 18 18 TYR H H 1 8.072 0.028 . 1 . . . . . 18 TYR H . 27336 1 18 . 1 . 1 18 18 TYR CA C 13 57.978 0.014 . 1 . . . . . 18 TYR CA . 27336 1 19 . 1 . 1 18 18 TYR CB C 13 38.486 0.000 . 1 . . . . . 18 TYR CB . 27336 1 20 . 1 . 1 18 18 TYR N N 15 120.189 0.023 . 1 . . . . . 18 TYR N . 27336 1 21 . 1 . 1 19 19 PHE H H 1 7.864 0.037 . 1 . . . . . 19 PHE H . 27336 1 22 . 1 . 1 19 19 PHE CA C 13 39.241 0.000 . 1 . . . . . 19 PHE CA . 27336 1 23 . 1 . 1 19 19 PHE CB C 13 39.236 0.000 . 1 . . . . . 19 PHE CB . 27336 1 24 . 1 . 1 19 19 PHE N N 15 121.482 0.178 . 1 . . . . . 19 PHE N . 27336 1 25 . 1 . 1 20 20 GLN H H 1 8.265 0.030 . 1 . . . . . 20 GLN H . 27336 1 26 . 1 . 1 20 20 GLN CA C 13 53.770 0.000 . 1 . . . . . 20 GLN CA . 27336 1 27 . 1 . 1 20 20 GLN CB C 13 29.185 0.002 . 1 . . . . . 20 GLN CB . 27336 1 28 . 1 . 1 20 20 GLN N N 15 122.082 0.154 . 1 . . . . . 20 GLN N . 27336 1 29 . 1 . 1 21 21 GLY H H 1 7.693 0.001 . 1 . . . . . 21 GLY H . 27336 1 30 . 1 . 1 21 21 GLY CA C 13 45.297 0.018 . 1 . . . . . 21 GLY CA . 27336 1 31 . 1 . 1 21 21 GLY N N 15 109.511 0.071 . 1 . . . . . 21 GLY N . 27336 1 32 . 1 . 1 22 22 MET H H 1 8.110 0.012 . 1 . . . . . 22 MET H . 27336 1 33 . 1 . 1 22 22 MET CA C 13 55.595 0.001 . 1 . . . . . 22 MET CA . 27336 1 34 . 1 . 1 22 22 MET CB C 13 33.342 0.027 . 1 . . . . . 22 MET CB . 27336 1 35 . 1 . 1 22 22 MET N N 15 119.827 0.008 . 1 . . . . . 22 MET N . 27336 1 36 . 1 . 1 23 23 ALA H H 1 8.238 0.032 . 1 . . . . . 23 ALA H . 27336 1 37 . 1 . 1 23 23 ALA CA C 13 52.756 0.086 . 1 . . . . . 23 ALA CA . 27336 1 38 . 1 . 1 23 23 ALA CB C 13 19.361 0.017 . 1 . . . . . 23 ALA CB . 27336 1 39 . 1 . 1 23 23 ALA N N 15 125.226 0.188 . 1 . . . . . 23 ALA N . 27336 1 40 . 1 . 1 24 24 GLU H H 1 8.196 0.037 . 1 . . . . . 24 GLU H . 27336 1 41 . 1 . 1 24 24 GLU CA C 13 55.986 0.000 . 1 . . . . . 24 GLU CA . 27336 1 42 . 1 . 1 24 24 GLU CB C 13 30.567 0.103 . 1 . . . . . 24 GLU CB . 27336 1 43 . 1 . 1 24 24 GLU N N 15 119.930 0.212 . 1 . . . . . 24 GLU N . 27336 1 44 . 1 . 1 25 25 ALA H H 1 8.191 0.034 . 1 . . . . . 25 ALA H . 27336 1 45 . 1 . 1 25 25 ALA CA C 13 50.443 0.000 . 1 . . . . . 25 ALA CA . 27336 1 46 . 1 . 1 25 25 ALA CB C 13 30.371 0.000 . 1 . . . . . 25 ALA CB . 27336 1 47 . 1 . 1 25 25 ALA N N 15 126.387 0.064 . 1 . . . . . 25 ALA N . 27336 1 48 . 1 . 1 27 27 GLN H H 1 8.453 0.008 . 1 . . . . . 27 GLN H . 27336 1 49 . 1 . 1 27 27 GLN CA C 13 29.596 0.000 . 1 . . . . . 27 GLN CA . 27336 1 50 . 1 . 1 27 27 GLN CB C 13 29.596 0.000 . 1 . . . . . 27 GLN CB . 27336 1 51 . 1 . 1 27 27 GLN N N 15 121.481 0.020 . 1 . . . . . 27 GLN N . 27336 1 52 . 1 . 1 28 28 VAL H H 1 8.178 0.028 . 1 . . . . . 28 VAL H . 27336 1 53 . 1 . 1 28 28 VAL CA C 13 62.409 0.000 . 1 . . . . . 28 VAL CA . 27336 1 54 . 1 . 1 28 28 VAL CB C 13 32.903 0.021 . 1 . . . . . 28 VAL CB . 27336 1 55 . 1 . 1 28 28 VAL N N 15 122.576 0.033 . 1 . . . . . 28 VAL N . 27336 1 56 . 1 . 1 29 29 VAL H H 1 8.165 0.030 . 1 . . . . . 29 VAL H . 27336 1 57 . 1 . 1 29 29 VAL CA C 13 62.205 0.042 . 1 . . . . . 29 VAL CA . 27336 1 58 . 1 . 1 29 29 VAL CB C 13 32.760 0.000 . 1 . . . . . 29 VAL CB . 27336 1 59 . 1 . 1 29 29 VAL N N 15 124.884 0.012 . 1 . . . . . 29 VAL N . 27336 1 60 . 1 . 1 30 30 GLU H H 1 8.398 0.034 . 1 . . . . . 30 GLU H . 27336 1 61 . 1 . 1 30 30 GLU CA C 13 56.199 0.052 . 1 . . . . . 30 GLU CA . 27336 1 62 . 1 . 1 30 30 GLU CB C 13 30.579 0.000 . 1 . . . . . 30 GLU CB . 27336 1 63 . 1 . 1 30 30 GLU N N 15 125.578 0.050 . 1 . . . . . 30 GLU N . 27336 1 64 . 1 . 1 31 31 ILE H H 1 8.127 0.039 . 1 . . . . . 31 ILE H . 27336 1 65 . 1 . 1 31 31 ILE CA C 13 56.260 0.000 . 1 . . . . . 31 ILE CA . 27336 1 66 . 1 . 1 31 31 ILE CB C 13 38.978 0.000 . 1 . . . . . 31 ILE CB . 27336 1 67 . 1 . 1 31 31 ILE N N 15 122.411 0.064 . 1 . . . . . 31 ILE N . 27336 1 68 . 1 . 1 32 32 ASP H H 1 8.170 0.036 . 1 . . . . . 32 ASP H . 27336 1 69 . 1 . 1 32 32 ASP CA C 13 55.017 0.027 . 1 . . . . . 32 ASP CA . 27336 1 70 . 1 . 1 32 32 ASP CB C 13 41.075 0.000 . 1 . . . . . 32 ASP CB . 27336 1 71 . 1 . 1 32 32 ASP N N 15 125.296 0.105 . 1 . . . . . 32 ASP N . 27336 1 72 . 1 . 1 34 34 ASP H H 1 8.291 0.034 . 1 . . . . . 34 ASP H . 27336 1 73 . 1 . 1 34 34 ASP CA C 13 54.481 0.000 . 1 . . . . . 34 ASP CA . 27336 1 74 . 1 . 1 34 34 ASP CB C 13 40.830 0.005 . 1 . . . . . 34 ASP CB . 27336 1 75 . 1 . 1 34 34 ASP N N 15 118.916 0.002 . 1 . . . . . 34 ASP N . 27336 1 76 . 1 . 1 35 35 PHE H H 1 7.799 0.009 . 1 . . . . . 35 PHE H . 27336 1 77 . 1 . 1 35 35 PHE CA C 13 58.038 0.009 . 1 . . . . . 35 PHE CA . 27336 1 78 . 1 . 1 35 35 PHE CB C 13 39.971 0.098 . 1 . . . . . 35 PHE CB . 27336 1 79 . 1 . 1 35 35 PHE N N 15 120.243 0.022 . 1 . . . . . 35 PHE N . 27336 1 80 . 1 . 1 36 36 GLU H H 1 7.897 0.036 . 1 . . . . . 36 GLU H . 27336 1 81 . 1 . 1 36 36 GLU CA C 13 53.663 0.019 . 1 . . . . . 36 GLU CA . 27336 1 82 . 1 . 1 36 36 GLU CB C 13 30.353 0.009 . 1 . . . . . 36 GLU CB . 27336 1 83 . 1 . 1 36 36 GLU N N 15 124.677 0.038 . 1 . . . . . 36 GLU N . 27336 1 84 . 1 . 1 38 38 LEU H H 1 8.442 0.008 . 1 . . . . . 38 LEU H . 27336 1 85 . 1 . 1 38 38 LEU CA C 13 51.981 0.011 . 1 . . . . . 38 LEU CA . 27336 1 86 . 1 . 1 38 38 LEU CB C 13 41.408 0.031 . 1 . . . . . 38 LEU CB . 27336 1 87 . 1 . 1 38 38 LEU N N 15 126.245 0.025 . 1 . . . . . 38 LEU N . 27336 1 88 . 1 . 1 40 40 ARG H H 1 8.590 0.036 . 1 . . . . . 40 ARG H . 27336 1 89 . 1 . 1 40 40 ARG CA C 13 54.257 0.028 . 1 . . . . . 40 ARG CA . 27336 1 90 . 1 . 1 40 40 ARG CB C 13 29.391 0.000 . 1 . . . . . 40 ARG CB . 27336 1 91 . 1 . 1 40 40 ARG N N 15 122.403 0.117 . 1 . . . . . 40 ARG N . 27336 1 92 . 1 . 1 42 42 ARG H H 1 8.449 0.010 . 1 . . . . . 42 ARG H . 27336 1 93 . 1 . 1 42 42 ARG CA C 13 56.296 0.027 . 1 . . . . . 42 ARG CA . 27336 1 94 . 1 . 1 42 42 ARG CB C 13 30.812 0.077 . 1 . . . . . 42 ARG CB . 27336 1 95 . 1 . 1 42 42 ARG N N 15 121.736 0.211 . 1 . . . . . 42 ARG N . 27336 1 96 . 1 . 1 43 43 SER H H 1 8.339 0.015 . 1 . . . . . 43 SER H . 27336 1 97 . 1 . 1 43 43 SER CA C 13 58.411 0.000 . 1 . . . . . 43 SER CA . 27336 1 98 . 1 . 1 43 43 SER CB C 13 63.711 0.058 . 1 . . . . . 43 SER CB . 27336 1 99 . 1 . 1 43 43 SER N N 15 116.383 0.172 . 1 . . . . . 43 SER N . 27336 1 100 . 1 . 1 44 44 CYS H H 1 8.292 0.000 . 1 . . . . . 44 CYS H . 27336 1 101 . 1 . 1 44 44 CYS CA C 13 58.427 0.000 . 1 . . . . . 44 CYS CA . 27336 1 102 . 1 . 1 44 44 CYS CB C 13 28.025 0.104 . 1 . . . . . 44 CYS CB . 27336 1 103 . 1 . 1 44 44 CYS N N 15 120.416 0.000 . 1 . . . . . 44 CYS N . 27336 1 104 . 1 . 1 45 45 THR H H 1 8.975 0.002 . 1 . . . . . 45 THR H . 27336 1 105 . 1 . 1 45 45 THR CA C 13 61.681 0.002 . 1 . . . . . 45 THR CA . 27336 1 106 . 1 . 1 45 45 THR CB C 13 69.644 0.000 . 1 . . . . . 45 THR CB . 27336 1 107 . 1 . 1 45 45 THR N N 15 120.049 0.023 . 1 . . . . . 45 THR N . 27336 1 108 . 1 . 1 46 46 TRP H H 1 7.996 0.036 . 1 . . . . . 46 TRP H . 27336 1 109 . 1 . 1 46 46 TRP CA C 13 55.663 0.000 . 1 . . . . . 46 TRP CA . 27336 1 110 . 1 . 1 46 46 TRP CB C 13 29.060 0.000 . 1 . . . . . 46 TRP CB . 27336 1 111 . 1 . 1 46 46 TRP N N 15 124.465 0.114 . 1 . . . . . 46 TRP N . 27336 1 112 . 1 . 1 48 48 LEU H H 1 8.206 0.013 . 1 . . . . . 48 LEU H . 27336 1 113 . 1 . 1 48 48 LEU CA C 13 53.059 0.042 . 1 . . . . . 48 LEU CA . 27336 1 114 . 1 . 1 48 48 LEU CB C 13 41.773 0.002 . 1 . . . . . 48 LEU CB . 27336 1 115 . 1 . 1 48 48 LEU N N 15 123.546 0.133 . 1 . . . . . 48 LEU N . 27336 1 116 . 1 . 1 50 50 ARG H H 1 7.790 0.000 . 1 . . . . . 50 ARG H . 27336 1 117 . 1 . 1 50 50 ARG CA C 13 41.853 0.000 . 1 . . . . . 50 ARG CA . 27336 1 118 . 1 . 1 50 50 ARG CB C 13 52.963 0.000 . 1 . . . . . 50 ARG CB . 27336 1 119 . 1 . 1 50 50 ARG N N 15 122.995 0.035 . 1 . . . . . 50 ARG N . 27336 1 120 . 1 . 1 52 52 GLU H H 1 8.582 0.020 . 1 . . . . . 52 GLU H . 27336 1 121 . 1 . 1 52 52 GLU CA C 13 57.194 0.000 . 1 . . . . . 52 GLU CA . 27336 1 122 . 1 . 1 52 52 GLU CB C 13 30.318 0.000 . 1 . . . . . 52 GLU CB . 27336 1 123 . 1 . 1 52 52 GLU N N 15 120.866 0.216 . 1 . . . . . 52 GLU N . 27336 1 124 . 1 . 1 53 53 PHE H H 1 8.098 0.034 . 1 . . . . . 53 PHE H . 27336 1 125 . 1 . 1 53 53 PHE CA C 13 57.267 0.000 . 1 . . . . . 53 PHE CA . 27336 1 126 . 1 . 1 53 53 PHE CB C 13 39.436 0.000 . 1 . . . . . 53 PHE CB . 27336 1 127 . 1 . 1 53 53 PHE N N 15 120.669 0.056 . 1 . . . . . 53 PHE N . 27336 1 128 . 1 . 1 54 54 SER H H 1 8.051 0.076 . 1 . . . . . 54 SER H . 27336 1 129 . 1 . 1 54 54 SER CA C 13 58.206 0.000 . 1 . . . . . 54 SER CA . 27336 1 130 . 1 . 1 54 54 SER CB C 13 64.133 0.000 . 1 . . . . . 54 SER CB . 27336 1 131 . 1 . 1 54 54 SER N N 15 117.394 0.010 . 1 . . . . . 54 SER N . 27336 1 132 . 1 . 1 55 55 GLN H H 1 8.311 0.039 . 1 . . . . . 55 GLN H . 27336 1 133 . 1 . 1 55 55 GLN CA C 13 55.942 0.000 . 1 . . . . . 55 GLN CA . 27336 1 134 . 1 . 1 55 55 GLN CB C 13 29.758 0.059 . 1 . . . . . 55 GLN CB . 27336 1 135 . 1 . 1 55 55 GLN N N 15 122.405 0.103 . 1 . . . . . 55 GLN N . 27336 1 136 . 1 . 1 56 56 SER H H 1 8.319 0.000 . 1 . . . . . 56 SER H . 27336 1 137 . 1 . 1 56 56 SER CA C 13 58.538 0.000 . 1 . . . . . 56 SER CA . 27336 1 138 . 1 . 1 56 56 SER CB C 13 63.926 0.018 . 1 . . . . . 56 SER CB . 27336 1 139 . 1 . 1 56 56 SER N N 15 116.652 0.061 . 1 . . . . . 56 SER N . 27336 1 140 . 1 . 1 57 57 ASN H H 1 8.392 0.035 . 1 . . . . . 57 ASN H . 27336 1 141 . 1 . 1 57 57 ASN CA C 13 53.161 0.000 . 1 . . . . . 57 ASN CA . 27336 1 142 . 1 . 1 57 57 ASN CB C 13 53.273 0.000 . 1 . . . . . 57 ASN CB . 27336 1 143 . 1 . 1 57 57 ASN N N 15 121.086 0.012 . 1 . . . . . 57 ASN N . 27336 1 144 . 1 . 1 58 58 SER H H 1 8.178 0.001 . 1 . . . . . 58 SER H . 27336 1 145 . 1 . 1 58 58 SER CA C 13 58.477 0.006 . 1 . . . . . 58 SER CA . 27336 1 146 . 1 . 1 58 58 SER CB C 13 63.723 0.036 . 1 . . . . . 58 SER CB . 27336 1 147 . 1 . 1 58 58 SER N N 15 116.162 0.003 . 1 . . . . . 58 SER N . 27336 1 148 . 1 . 1 59 59 ALA H H 1 8.307 0.042 . 1 . . . . . 59 ALA H . 27336 1 149 . 1 . 1 59 59 ALA CA C 13 52.892 0.004 . 1 . . . . . 59 ALA CA . 27336 1 150 . 1 . 1 59 59 ALA CB C 13 19.180 0.009 . 1 . . . . . 59 ALA CB . 27336 1 151 . 1 . 1 59 59 ALA N N 15 125.884 0.068 . 1 . . . . . 59 ALA N . 27336 1 152 . 1 . 1 60 60 THR H H 1 8.006 0.030 . 1 . . . . . 60 THR H . 27336 1 153 . 1 . 1 60 60 THR CA C 13 61.596 0.013 . 1 . . . . . 60 THR CA . 27336 1 154 . 1 . 1 60 60 THR CB C 13 69.854 0.016 . 1 . . . . . 60 THR CB . 27336 1 155 . 1 . 1 60 60 THR N N 15 112.284 0.116 . 1 . . . . . 60 THR N . 27336 1 156 . 1 . 1 61 61 SER H H 1 8.255 0.000 . 1 . . . . . 61 SER H . 27336 1 157 . 1 . 1 61 61 SER CA C 13 58.317 0.004 . 1 . . . . . 61 SER CA . 27336 1 158 . 1 . 1 61 61 SER CB C 13 63.917 0.000 . 1 . . . . . 61 SER CB . 27336 1 159 . 1 . 1 61 61 SER N N 15 117.959 0.062 . 1 . . . . . 61 SER N . 27336 1 160 . 1 . 1 62 62 SER H H 1 8.272 0.039 . 1 . . . . . 62 SER H . 27336 1 161 . 1 . 1 62 62 SER CA C 13 56.462 0.041 . 1 . . . . . 62 SER CA . 27336 1 162 . 1 . 1 62 62 SER CB C 13 63.436 0.085 . 1 . . . . . 62 SER CB . 27336 1 163 . 1 . 1 62 62 SER N N 15 118.905 0.056 . 1 . . . . . 62 SER N . 27336 1 164 . 1 . 1 64 64 ALA H H 1 8.313 0.000 . 1 . . . . . 64 ALA H . 27336 1 165 . 1 . 1 64 64 ALA CA C 13 50.302 0.003 . 1 . . . . . 64 ALA CA . 27336 1 166 . 1 . 1 64 64 ALA CB C 13 18.050 0.021 . 1 . . . . . 64 ALA CB . 27336 1 167 . 1 . 1 64 64 ALA N N 15 125.985 0.023 . 1 . . . . . 64 ALA N . 27336 1 168 . 1 . 1 66 66 SER H H 1 8.332 0.027 . 1 . . . . . 66 SER H . 27336 1 169 . 1 . 1 66 66 SER CA C 13 58.358 0.000 . 1 . . . . . 66 SER CA . 27336 1 170 . 1 . 1 66 66 SER CB C 13 64.412 0.000 . 1 . . . . . 66 SER CB . 27336 1 171 . 1 . 1 66 66 SER N N 15 116.222 0.037 . 1 . . . . . 66 SER N . 27336 1 172 . 1 . 1 67 67 GLY H H 1 7.933 0.032 . 1 . . . . . 67 GLY H . 27336 1 173 . 1 . 1 67 67 GLY CA C 13 46.131 0.071 . 1 . . . . . 67 GLY CA . 27336 1 174 . 1 . 1 67 67 GLY N N 15 116.965 0.103 . 1 . . . . . 67 GLY N . 27336 1 stop_ save_