data_52492 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52492 _Entry.Title ; Sequence-Specific Backbone assignment of the PP2A-binding domain (aa 62-108) of Eya3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-04 _Entry.Accession_date 2024-06-04 _Entry.Last_release_date 2024-06-19 _Entry.Original_release_date 2024-06-19 _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 . _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 Rachel Godek . J. . 0009-0003-9260-9605 52492 2 Wolfgang Peti . . . . 52492 3 Rebecca Page . . . . 52492 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52492 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 52492 '15N chemical shifts' 46 52492 '1H chemical shifts' 46 52492 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-07-05 . original BMRB . 52492 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52492 _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 ; Cryo-EM structures of PP2A:B55-Eya3 and PP2A:B55-p107 define PP2A:B55 substrate recruitment ; _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 Rachel Godek . J. . . 52492 1 2 Sathish Padi . K.R. . . 52492 1 3 Wolfgang Peti . . . . 52492 1 4 Rebecca Page . . . . 52492 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52492 _Assembly.ID 1 _Assembly.Name Eya3 _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 5946.5 _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 Eya3 1 $entity_1 . . yes native no no . . . 52492 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52492 _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 ; HMRSSNDYTSQMYSAKPYAH ILSVPVSETAYPGQTQYQTL QQTQPYAVYEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; N-terminal 'HM' are a cloning artifact C-terminal 'EE' are to improve solubility for expression and purification ; _Entity.Polymer_author_seq_details 'Human Eyes absent homolog 3; residues 62-108; Eya 3 starting with RSSNDY' _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 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation None _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5946.5 _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 'PP2A recruitment domain of Eya3' 52492 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 2 HIS . 52492 1 2 3 MET . 52492 1 3 4 ARG . 52492 1 4 5 SER . 52492 1 5 6 SER . 52492 1 6 7 ASN . 52492 1 7 8 ASP . 52492 1 8 9 TYR . 52492 1 9 10 THR . 52492 1 10 11 SER . 52492 1 11 12 GLN . 52492 1 12 13 MET . 52492 1 13 14 TYR . 52492 1 14 15 SER . 52492 1 15 16 ALA . 52492 1 16 17 LYS . 52492 1 17 18 PRO . 52492 1 18 19 TYR . 52492 1 19 20 ALA . 52492 1 20 21 HIS . 52492 1 21 22 ILE . 52492 1 22 23 LEU . 52492 1 23 24 SER . 52492 1 24 25 VAL . 52492 1 25 26 PRO . 52492 1 26 27 VAL . 52492 1 27 28 SER . 52492 1 28 29 GLU . 52492 1 29 30 THR . 52492 1 30 31 ALA . 52492 1 31 32 TYR . 52492 1 32 33 PRO . 52492 1 33 34 GLY . 52492 1 34 35 GLN . 52492 1 35 36 THR . 52492 1 36 37 GLN . 52492 1 37 38 TYR . 52492 1 38 39 GLN . 52492 1 39 40 THR . 52492 1 40 41 LEU . 52492 1 41 42 GLN . 52492 1 42 43 GLN . 52492 1 43 44 THR . 52492 1 44 45 GLN . 52492 1 45 46 PRO . 52492 1 46 47 TYR . 52492 1 47 48 ALA . 52492 1 48 49 VAL . 52492 1 49 50 TYR . 52492 1 50 51 GLU . 52492 1 51 52 GLU . 52492 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 . HIS 1 1 52492 1 . MET 2 2 52492 1 . ARG 3 3 52492 1 . SER 4 4 52492 1 . SER 5 5 52492 1 . ASN 6 6 52492 1 . ASP 7 7 52492 1 . TYR 8 8 52492 1 . THR 9 9 52492 1 . SER 10 10 52492 1 . GLN 11 11 52492 1 . MET 12 12 52492 1 . TYR 13 13 52492 1 . SER 14 14 52492 1 . ALA 15 15 52492 1 . LYS 16 16 52492 1 . PRO 17 17 52492 1 . TYR 18 18 52492 1 . ALA 19 19 52492 1 . HIS 20 20 52492 1 . ILE 21 21 52492 1 . LEU 22 22 52492 1 . SER 23 23 52492 1 . VAL 24 24 52492 1 . PRO 25 25 52492 1 . VAL 26 26 52492 1 . SER 27 27 52492 1 . GLU 28 28 52492 1 . THR 29 29 52492 1 . ALA 30 30 52492 1 . TYR 31 31 52492 1 . PRO 32 32 52492 1 . GLY 33 33 52492 1 . GLN 34 34 52492 1 . THR 35 35 52492 1 . GLN 36 36 52492 1 . TYR 37 37 52492 1 . GLN 38 38 52492 1 . THR 39 39 52492 1 . LEU 40 40 52492 1 . GLN 41 41 52492 1 . GLN 42 42 52492 1 . THR 43 43 52492 1 . GLN 44 44 52492 1 . PRO 45 45 52492 1 . TYR 46 46 52492 1 . ALA 47 47 52492 1 . VAL 48 48 52492 1 . TYR 49 49 52492 1 . GLU 50 50 52492 1 . GLU 51 51 52492 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 52492 _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 . . . . . . . . . . . . . 52492 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 52492 _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)' . . plasmid . . pTHMT . . 'Thio6His6-MBP-TEV- MCS' 52492 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52492 _Sample.ID 1 _Sample.Name Eya3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.17 mM Eya3, 10 mM Na2HPO4/NaH2PO4 pH 6.5, 200 mM NaCl, 0.5 mM TCEP, 283 K; 800 MHz' _Sample.Aggregate_sample_number 1 _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 Eya3 '[U-99% 15N]' . . 1 $entity_1 . . 170 . . uM . . . . 52492 1 2 Eya3 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 170 . . uM . . . . 52492 1 3 Na2HPO4/NaH2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 52492 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 52492 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 52492 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 52492 _Sample_condition_list.ID 1 _Sample_condition_list.Name Eya3_conditions _Sample_condition_list.Details '0.17 mM Eya3, 10 mM Na2HPO4/NaH2PO4 pH 6.5, 200 mM NaCl, 0.5 mM TCEP, 283 K; 800 MHz' 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' 200 . mM 52492 1 pH 6.5 . pH 52492 1 pressure 1 . atm 52492 1 temperature 283 . K 52492 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52492 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52492 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52492 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52492 2 processing . 52492 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 52492 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer' _NMR_spectrometer.Details Bruker _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52492 _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 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 1 7 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52492 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 52492 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _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 external direct 0.2514495 . . . . . 52492 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 52492 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291 . . . . . 52492 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 52492 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name eya3 _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 1 '3D CBCA(CO)NH' . . . 52492 1 2 '3D HNCA' . . . 52492 1 3 '3D HNCACB' . . . 52492 1 4 '3D HN(CA)CO' . . . 52492 1 5 '3D HNCO' . . . 52492 1 6 '3D HN(CO)CA' . . . 52492 1 7 '2D 1H-15N HSQC' . . . 52492 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 $software_1 . . 52492 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 1 1 HIS C C 13 172.114 0.3 . 1 . . . . . 2 HIS C . 52492 1 2 . 1 . 1 1 1 HIS CA C 13 52.986 0.3 . 1 . . . . . 2 HIS CA . 52492 1 3 . 1 . 1 1 1 HIS CB C 13 27.457 0.3 . 1 . . . . . 2 HIS CB . 52492 1 4 . 1 . 1 2 2 MET H H 1 8.373 0.020 . 1 . . . . . 3 MET H . 52492 1 5 . 1 . 1 2 2 MET C C 13 173.115 0.3 . 1 . . . . . 3 MET C . 52492 1 6 . 1 . 1 2 2 MET CA C 13 52.648 0.3 . 1 . . . . . 3 MET CA . 52492 1 7 . 1 . 1 2 2 MET CB C 13 29.821 0.3 . 1 . . . . . 3 MET CB . 52492 1 8 . 1 . 1 2 2 MET N N 15 122.646 0.3 . 1 . . . . . 3 MET N . 52492 1 9 . 1 . 1 3 3 ARG H H 1 8.426 0.020 . 1 . . . . . 4 ARG H . 52492 1 10 . 1 . 1 3 3 ARG C C 13 173.376 0.3 . 1 . . . . . 4 ARG C . 52492 1 11 . 1 . 1 3 3 ARG CA C 13 53.179 0.3 . 1 . . . . . 4 ARG CA . 52492 1 12 . 1 . 1 3 3 ARG CB C 13 27.891 0.3 . 1 . . . . . 4 ARG CB . 52492 1 13 . 1 . 1 3 3 ARG N N 15 123.411 0.3 . 1 . . . . . 4 ARG N . 52492 1 14 . 1 . 1 4 4 SER H H 1 8.350 0.020 . 1 . . . . . 5 SER H . 52492 1 15 . 1 . 1 4 4 SER C C 13 171.836 0.3 . 1 . . . . . 5 SER C . 52492 1 16 . 1 . 1 4 4 SER CA C 13 55.254 0.3 . 1 . . . . . 5 SER CA . 52492 1 17 . 1 . 1 4 4 SER CB C 13 60.997 0.3 . 1 . . . . . 5 SER CB . 52492 1 18 . 1 . 1 4 4 SER N N 15 117.551 0.3 . 1 . . . . . 5 SER N . 52492 1 19 . 1 . 1 5 5 SER H H 1 8.286 0.020 . 1 . . . . . 6 SER H . 52492 1 20 . 1 . 1 5 5 SER C C 13 171.569 0.3 . 1 . . . . . 6 SER C . 52492 1 21 . 1 . 1 5 5 SER CA C 13 55.640 0.3 . 1 . . . . . 6 SER CA . 52492 1 22 . 1 . 1 5 5 SER CB C 13 60.804 0.3 . 1 . . . . . 6 SER CB . 52492 1 23 . 1 . 1 5 5 SER N N 15 117.772 0.3 . 1 . . . . . 6 SER N . 52492 1 24 . 1 . 1 6 6 ASN H H 1 8.228 0.020 . 1 . . . . . 7 ASN H . 52492 1 25 . 1 . 1 6 6 ASN C C 13 171.831 0.3 . 1 . . . . . 7 ASN C . 52492 1 26 . 1 . 1 6 6 ASN CA C 13 50.409 0.3 . 1 . . . . . 7 ASN CA . 52492 1 27 . 1 . 1 6 6 ASN CB C 13 35.805 0.3 . 1 . . . . . 7 ASN CB . 52492 1 28 . 1 . 1 6 6 ASN N N 15 119.967 0.3 . 1 . . . . . 7 ASN N . 52492 1 29 . 1 . 1 7 7 ASP H H 1 7.910 0.020 . 1 . . . . . 8 ASP H . 52492 1 30 . 1 . 1 7 7 ASP C C 13 173.273 0.3 . 1 . . . . . 8 ASP C . 52492 1 31 . 1 . 1 7 7 ASP CA C 13 51.345 0.3 . 1 . . . . . 8 ASP CA . 52492 1 32 . 1 . 1 7 7 ASP CB C 13 37.881 0.3 . 1 . . . . . 8 ASP CB . 52492 1 33 . 1 . 1 7 7 ASP N N 15 119.943 0.3 . 1 . . . . . 8 ASP N . 52492 1 34 . 1 . 1 8 8 TYR H H 1 7.989 0.020 . 1 . . . . . 9 TYR H . 52492 1 35 . 1 . 1 8 8 TYR C C 13 173.561 0.3 . 1 . . . . . 9 TYR C . 52492 1 36 . 1 . 1 8 8 TYR CA C 13 55.592 0.3 . 1 . . . . . 9 TYR CA . 52492 1 37 . 1 . 1 8 8 TYR CB C 13 35.323 0.3 . 1 . . . . . 9 TYR CB . 52492 1 38 . 1 . 1 8 8 TYR N N 15 120.819 0.3 . 1 . . . . . 9 TYR N . 52492 1 39 . 1 . 1 9 9 THR H H 1 7.869 0.020 . 1 . . . . . 10 THR H . 52492 1 40 . 1 . 1 9 9 THR C C 13 172.081 0.3 . 1 . . . . . 10 THR C . 52492 1 41 . 1 . 1 9 9 THR CA C 13 59.742 0.3 . 1 . . . . . 10 THR CA . 52492 1 42 . 1 . 1 9 9 THR CB C 13 66.836 0.3 . 1 . . . . . 10 THR CB . 52492 1 43 . 1 . 1 9 9 THR N N 15 114.619 0.3 . 1 . . . . . 10 THR N . 52492 1 44 . 1 . 1 10 10 SER H H 1 8.049 0.020 . 1 . . . . . 11 SER H . 52492 1 45 . 1 . 1 10 10 SER C C 13 172.103 0.3 . 1 . . . . . 11 SER C . 52492 1 46 . 1 . 1 10 10 SER CA C 13 56.074 0.3 . 1 . . . . . 11 SER CA . 52492 1 47 . 1 . 1 10 10 SER CB C 13 60.659 0.3 . 1 . . . . . 11 SER CB . 52492 1 48 . 1 . 1 10 10 SER N N 15 117.458 0.3 . 1 . . . . . 11 SER N . 52492 1 49 . 1 . 1 11 11 GLN H H 1 8.117 0.020 . 1 . . . . . 12 GLN H . 52492 1 50 . 1 . 1 11 11 GLN C C 13 173.322 0.3 . 1 . . . . . 12 GLN C . 52492 1 51 . 1 . 1 11 11 GLN CA C 13 53.420 0.3 . 1 . . . . . 12 GLN CA . 52492 1 52 . 1 . 1 11 11 GLN CB C 13 26.057 0.3 . 1 . . . . . 12 GLN CB . 52492 1 53 . 1 . 1 11 11 GLN N N 15 121.594 0.3 . 1 . . . . . 12 GLN N . 52492 1 54 . 1 . 1 12 12 MET H H 1 7.957 0.020 . 1 . . . . . 13 MET H . 52492 1 55 . 1 . 1 12 12 MET C C 13 173.251 0.3 . 1 . . . . . 13 MET C . 52492 1 56 . 1 . 1 12 12 MET CA C 13 52.937 0.3 . 1 . . . . . 13 MET CA . 52492 1 57 . 1 . 1 12 12 MET CB C 13 29.628 0.3 . 1 . . . . . 13 MET CB . 52492 1 58 . 1 . 1 12 12 MET N N 15 120.116 0.3 . 1 . . . . . 13 MET N . 52492 1 59 . 1 . 1 13 13 TYR H H 1 7.914 0.020 . 1 . . . . . 14 TYR H . 52492 1 60 . 1 . 1 13 13 TYR C C 13 172.897 0.3 . 1 . . . . . 14 TYR C . 52492 1 61 . 1 . 1 13 13 TYR CA C 13 55.157 0.3 . 1 . . . . . 14 TYR CA . 52492 1 62 . 1 . 1 13 13 TYR CB C 13 35.468 0.3 . 1 . . . . . 14 TYR CB . 52492 1 63 . 1 . 1 13 13 TYR N N 15 120.409 0.3 . 1 . . . . . 14 TYR N . 52492 1 64 . 1 . 1 14 14 SER H H 1 7.809 0.020 . 1 . . . . . 15 SER H . 52492 1 65 . 1 . 1 14 14 SER C C 13 170.851 0.3 . 1 . . . . . 15 SER C . 52492 1 66 . 1 . 1 14 14 SER CA C 13 55.109 0.3 . 1 . . . . . 15 SER CA . 52492 1 67 . 1 . 1 14 14 SER CB C 13 60.997 0.3 . 1 . . . . . 15 SER CB . 52492 1 68 . 1 . 1 14 14 SER N N 15 117.155 0.3 . 1 . . . . . 15 SER N . 52492 1 69 . 1 . 1 15 15 ALA H H 1 8.044 0.020 . 1 . . . . . 16 ALA H . 52492 1 70 . 1 . 1 15 15 ALA C C 13 174.497 0.3 . 1 . . . . . 16 ALA C . 52492 1 71 . 1 . 1 15 15 ALA CA C 13 49.463 0.3 . 1 . . . . . 16 ALA CA . 52492 1 72 . 1 . 1 15 15 ALA CB C 13 16.261 0.3 . 1 . . . . . 16 ALA CB . 52492 1 73 . 1 . 1 15 15 ALA N N 15 125.783 0.3 . 1 . . . . . 16 ALA N . 52492 1 74 . 1 . 1 16 16 LYS H H 1 7.998 0.020 . 1 . . . . . 17 LYS H . 52492 1 75 . 1 . 1 16 16 LYS C C 13 171.645 0.3 . 1 . . . . . 17 LYS C . 52492 1 76 . 1 . 1 16 16 LYS CA C 13 51.297 0.3 . 1 . . . . . 17 LYS CA . 52492 1 77 . 1 . 1 16 16 LYS CB C 13 29.435 0.3 . 1 . . . . . 17 LYS CB . 52492 1 78 . 1 . 1 16 16 LYS N N 15 121.399 0.3 . 1 . . . . . 17 LYS N . 52492 1 79 . 1 . 1 17 17 PRO C C 13 173.697 0.3 . 1 . . . . . 18 PRO C . 52492 1 80 . 1 . 1 17 17 PRO CA C 13 60.080 0.3 . 1 . . . . . 18 PRO CA . 52492 1 81 . 1 . 1 17 17 PRO CB C 13 28.808 0.3 . 1 . . . . . 18 PRO CB . 52492 1 82 . 1 . 1 18 18 TYR H H 1 7.970 0.020 . 1 . . . . . 19 TYR H . 52492 1 83 . 1 . 1 18 18 TYR C C 13 172.571 0.3 . 1 . . . . . 19 TYR C . 52492 1 84 . 1 . 1 18 18 TYR CA C 13 54.675 0.3 . 1 . . . . . 19 TYR CA . 52492 1 85 . 1 . 1 18 18 TYR CB C 13 35.468 0.3 . 1 . . . . . 19 TYR CB . 52492 1 86 . 1 . 1 18 18 TYR N N 15 119.782 0.3 . 1 . . . . . 19 TYR N . 52492 1 87 . 1 . 1 19 19 ALA H H 1 7.827 0.020 . 1 . . . . . 20 ALA H . 52492 1 88 . 1 . 1 19 19 ALA C C 13 173.986 0.3 . 1 . . . . . 20 ALA C . 52492 1 89 . 1 . 1 19 19 ALA CA C 13 49.414 0.3 . 1 . . . . . 20 ALA CA . 52492 1 90 . 1 . 1 19 19 ALA CB C 13 16.405 0.3 . 1 . . . . . 20 ALA CB . 52492 1 91 . 1 . 1 19 19 ALA N N 15 125.423 0.3 . 1 . . . . . 20 ALA N . 52492 1 92 . 1 . 1 20 20 HIS H H 1 8.065 0.020 . 1 . . . . . 21 HIS H . 52492 1 93 . 1 . 1 20 20 HIS C C 13 171.841 0.3 . 1 . . . . . 21 HIS C . 52492 1 94 . 1 . 1 20 20 HIS CA C 13 52.744 0.3 . 1 . . . . . 21 HIS CA . 52492 1 95 . 1 . 1 20 20 HIS CB C 13 26.926 0.3 . 1 . . . . . 21 HIS CB . 52492 1 96 . 1 . 1 20 20 HIS N N 15 118.443 0.3 . 1 . . . . . 21 HIS N . 52492 1 97 . 1 . 1 21 21 ILE H H 1 7.902 0.020 . 1 . . . . . 22 ILE H . 52492 1 98 . 1 . 1 21 21 ILE C C 13 173.077 0.3 . 1 . . . . . 22 ILE C . 52492 1 99 . 1 . 1 21 21 ILE CA C 13 58.198 0.3 . 1 . . . . . 22 ILE CA . 52492 1 100 . 1 . 1 21 21 ILE CB C 13 35.612 0.3 . 1 . . . . . 22 ILE CB . 52492 1 101 . 1 . 1 21 21 ILE N N 15 122.799 0.3 . 1 . . . . . 22 ILE N . 52492 1 102 . 1 . 1 22 22 LEU H H 1 8.212 0.020 . 1 . . . . . 23 LEU H . 52492 1 103 . 1 . 1 22 22 LEU C C 13 174.225 0.3 . 1 . . . . . 23 LEU C . 52492 1 104 . 1 . 1 22 22 LEU CA C 13 52.069 0.3 . 1 . . . . . 23 LEU CA . 52492 1 105 . 1 . 1 22 22 LEU CB C 13 39.328 0.3 . 1 . . . . . 23 LEU CB . 52492 1 106 . 1 . 1 22 22 LEU N N 15 126.458 0.3 . 1 . . . . . 23 LEU N . 52492 1 107 . 1 . 1 23 23 SER H H 1 8.122 0.020 . 1 . . . . . 24 SER H . 52492 1 108 . 1 . 1 23 23 SER C C 13 170.998 0.3 . 1 . . . . . 24 SER C . 52492 1 109 . 1 . 1 23 23 SER CA C 13 55.254 0.3 . 1 . . . . . 24 SER CA . 52492 1 110 . 1 . 1 23 23 SER CB C 13 60.755 0.3 . 1 . . . . . 24 SER CB . 52492 1 111 . 1 . 1 23 23 SER N N 15 117.337 0.3 . 1 . . . . . 24 SER N . 52492 1 112 . 1 . 1 24 24 VAL H H 1 7.938 0.020 . 1 . . . . . 25 VAL H . 52492 1 113 . 1 . 1 24 24 VAL C C 13 171.379 0.3 . 1 . . . . . 25 VAL C . 52492 1 114 . 1 . 1 24 24 VAL CA C 13 56.846 0.3 . 1 . . . . . 25 VAL CA . 52492 1 115 . 1 . 1 24 24 VAL CB C 13 29.725 0.3 . 1 . . . . . 25 VAL CB . 52492 1 116 . 1 . 1 24 24 VAL N N 15 123.267 0.3 . 1 . . . . . 25 VAL N . 52492 1 117 . 1 . 1 25 25 PRO C C 13 174.029 0.3 . 1 . . . . . 26 PRO C . 52492 1 118 . 1 . 1 25 25 PRO CA C 13 60.106 0.3 . 1 . . . . . 26 PRO CA . 52492 1 119 . 1 . 1 25 25 PRO CB C 13 29.194 0.3 . 1 . . . . . 26 PRO CB . 52492 1 120 . 1 . 1 26 26 VAL H H 1 8.149 0.020 . 1 . . . . . 27 VAL H . 52492 1 121 . 1 . 1 26 26 VAL C C 13 173.544 0.3 . 1 . . . . . 27 VAL C . 52492 1 122 . 1 . 1 26 26 VAL CA C 13 59.790 0.3 . 1 . . . . . 27 VAL CA . 52492 1 123 . 1 . 1 26 26 VAL CB C 13 29.532 0.3 . 1 . . . . . 27 VAL CB . 52492 1 124 . 1 . 1 26 26 VAL N N 15 120.670 0.3 . 1 . . . . . 27 VAL N . 52492 1 125 . 1 . 1 27 27 SER H H 1 8.205 0.020 . 1 . . . . . 28 SER H . 52492 1 126 . 1 . 1 27 27 SER C C 13 171.727 0.3 . 1 . . . . . 28 SER C . 52492 1 127 . 1 . 1 27 27 SER CA C 13 55.350 0.3 . 1 . . . . . 28 SER CA . 52492 1 128 . 1 . 1 27 27 SER CB C 13 60.900 0.3 . 1 . . . . . 28 SER CB . 52492 1 129 . 1 . 1 27 27 SER N N 15 119.068 0.3 . 1 . . . . . 28 SER N . 52492 1 130 . 1 . 1 28 28 GLU H H 1 8.364 0.020 . 1 . . . . . 29 GLU H . 52492 1 131 . 1 . 1 28 28 GLU C C 13 173.654 0.3 . 1 . . . . . 29 GLU C . 52492 1 132 . 1 . 1 28 28 GLU CA C 13 53.854 0.3 . 1 . . . . . 29 GLU CA . 52492 1 133 . 1 . 1 28 28 GLU CB C 13 27.264 0.3 . 1 . . . . . 29 GLU CB . 52492 1 134 . 1 . 1 28 28 GLU N N 15 123.254 0.3 . 1 . . . . . 29 GLU N . 52492 1 135 . 1 . 1 29 29 THR H H 1 7.947 0.020 . 1 . . . . . 30 THR H . 52492 1 136 . 1 . 1 29 29 THR C C 13 170.927 0.3 . 1 . . . . . 30 THR C . 52492 1 137 . 1 . 1 29 29 THR CA C 13 58.970 0.3 . 1 . . . . . 30 THR CA . 52492 1 138 . 1 . 1 29 29 THR CB C 13 66.788 0.3 . 1 . . . . . 30 THR CB . 52492 1 139 . 1 . 1 29 29 THR N N 15 114.966 0.3 . 1 . . . . . 30 THR N . 52492 1 140 . 1 . 1 30 30 ALA H H 1 8.029 0.020 . 1 . . . . . 31 ALA H . 52492 1 141 . 1 . 1 30 30 ALA C C 13 173.975 0.3 . 1 . . . . . 31 ALA C . 52492 1 142 . 1 . 1 30 30 ALA CA C 13 49.318 0.3 . 1 . . . . . 31 ALA CA . 52492 1 143 . 1 . 1 30 30 ALA CB C 13 16.454 0.3 . 1 . . . . . 31 ALA CB . 52492 1 144 . 1 . 1 30 30 ALA N N 15 126.493 0.3 . 1 . . . . . 31 ALA N . 52492 1 145 . 1 . 1 31 31 TYR H H 1 7.912 0.020 . 1 . . . . . 32 TYR H . 52492 1 146 . 1 . 1 31 31 TYR C C 13 171.118 0.3 . 1 . . . . . 32 TYR C . 52492 1 147 . 1 . 1 31 31 TYR CA C 13 52.744 0.3 . 1 . . . . . 32 TYR CA . 52492 1 148 . 1 . 1 31 31 TYR CB C 13 35.371 0.3 . 1 . . . . . 32 TYR CB . 52492 1 149 . 1 . 1 31 31 TYR N N 15 120.068 0.3 . 1 . . . . . 32 TYR N . 52492 1 150 . 1 . 1 32 32 PRO C C 13 174.677 0.3 . 1 . . . . . 33 PRO C . 52492 1 151 . 1 . 1 32 32 PRO CA C 13 60.804 0.3 . 1 . . . . . 33 PRO CA . 52492 1 152 . 1 . 1 32 32 PRO CB C 13 28.856 0.3 . 1 . . . . . 33 PRO CB . 52492 1 153 . 1 . 1 33 33 GLY H H 1 8.133 0.020 . 1 . . . . . 34 GLY H . 52492 1 154 . 1 . 1 33 33 GLY C C 13 171.362 0.3 . 1 . . . . . 34 GLY C . 52492 1 155 . 1 . 1 33 33 GLY CA C 13 42.272 0.3 . 1 . . . . . 34 GLY CA . 52492 1 156 . 1 . 1 33 33 GLY N N 15 109.390 0.3 . 1 . . . . . 34 GLY N . 52492 1 157 . 1 . 1 34 34 GLN H H 1 7.911 0.020 . 1 . . . . . 35 GLN H . 52492 1 158 . 1 . 1 34 34 GLN C C 13 173.605 0.3 . 1 . . . . . 35 GLN C . 52492 1 159 . 1 . 1 34 34 GLN CA C 13 52.889 0.3 . 1 . . . . . 35 GLN CA . 52492 1 160 . 1 . 1 34 34 GLN CB C 13 26.491 0.3 . 1 . . . . . 35 GLN CB . 52492 1 161 . 1 . 1 34 34 GLN N N 15 119.707 0.3 . 1 . . . . . 35 GLN N . 52492 1 162 . 1 . 1 35 35 THR H H 1 8.142 0.020 . 1 . . . . . 36 THR H . 52492 1 163 . 1 . 1 35 35 THR C C 13 171.686 0.3 . 1 . . . . . 36 THR C . 52492 1 164 . 1 . 1 35 35 THR CA C 13 59.597 0.3 . 1 . . . . . 36 THR CA . 52492 1 165 . 1 . 1 35 35 THR CB C 13 66.788 0.3 . 1 . . . . . 36 THR CB . 52492 1 166 . 1 . 1 35 35 THR N N 15 115.966 0.3 . 1 . . . . . 36 THR N . 52492 1 167 . 1 . 1 36 36 GLN H H 1 8.292 0.020 . 1 . . . . . 37 GLN H . 52492 1 168 . 1 . 1 36 36 GLN C C 13 172.854 0.3 . 1 . . . . . 37 GLN C . 52492 1 169 . 1 . 1 36 36 GLN CA C 13 53.179 0.3 . 1 . . . . . 37 GLN CA . 52492 1 170 . 1 . 1 36 36 GLN CB C 13 26.202 0.3 . 1 . . . . . 37 GLN CB . 52492 1 171 . 1 . 1 36 36 GLN N N 15 122.373 0.3 . 1 . . . . . 37 GLN N . 52492 1 172 . 1 . 1 37 37 TYR H H 1 8.013 0.020 . 1 . . . . . 38 TYR H . 52492 1 173 . 1 . 1 37 37 TYR C C 13 172.946 0.3 . 1 . . . . . 38 TYR C . 52492 1 174 . 1 . 1 37 37 TYR CA C 13 55.350 0.3 . 1 . . . . . 38 TYR CA . 52492 1 175 . 1 . 1 37 37 TYR CB C 13 35.612 0.3 . 1 . . . . . 38 TYR CB . 52492 1 176 . 1 . 1 37 37 TYR N N 15 120.885 0.3 . 1 . . . . . 38 TYR N . 52492 1 177 . 1 . 1 38 38 GLN H H 1 8.063 0.020 . 1 . . . . . 39 GLN H . 52492 1 178 . 1 . 1 38 38 GLN C C 13 173.115 0.3 . 1 . . . . . 39 GLN C . 52492 1 179 . 1 . 1 38 38 GLN CA C 13 52.986 0.3 . 1 . . . . . 39 GLN CA . 52492 1 180 . 1 . 1 38 38 GLN CB C 13 26.540 0.3 . 1 . . . . . 39 GLN CB . 52492 1 181 . 1 . 1 38 38 GLN N N 15 121.376 0.3 . 1 . . . . . 39 GLN N . 52492 1 182 . 1 . 1 39 39 THR H H 1 8.010 0.020 . 1 . . . . . 40 THR H . 52492 1 183 . 1 . 1 39 39 THR C C 13 171.852 0.3 . 1 . . . . . 40 THR C . 52492 1 184 . 1 . 1 39 39 THR CA C 13 59.404 0.3 . 1 . . . . . 40 THR CA . 52492 1 185 . 1 . 1 39 39 THR CB C 13 66.836 0.3 . 1 . . . . . 40 THR CB . 52492 1 186 . 1 . 1 39 39 THR N N 15 115.540 0.3 . 1 . . . . . 40 THR N . 52492 1 187 . 1 . 1 40 40 LEU H H 1 8.104 0.020 . 1 . . . . . 41 LEU H . 52492 1 188 . 1 . 1 40 40 LEU C C 13 174.546 0.3 . 1 . . . . . 41 LEU C . 52492 1 189 . 1 . 1 40 40 LEU CA C 13 52.696 0.3 . 1 . . . . . 41 LEU CA . 52492 1 190 . 1 . 1 40 40 LEU CB C 13 39.135 0.3 . 1 . . . . . 41 LEU CB . 52492 1 191 . 1 . 1 40 40 LEU N N 15 124.172 0.3 . 1 . . . . . 41 LEU N . 52492 1 192 . 1 . 1 41 41 GLN H H 1 8.159 0.020 . 1 . . . . . 42 GLN H . 52492 1 193 . 1 . 1 41 41 GLN C C 13 173.215 0.3 . 1 . . . . . 42 GLN C . 52492 1 194 . 1 . 1 41 41 GLN CA C 13 52.937 0.3 . 1 . . . . . 42 GLN CA . 52492 1 195 . 1 . 1 41 41 GLN CB C 13 26.298 0.3 . 1 . . . . . 42 GLN CB . 52492 1 196 . 1 . 1 41 41 GLN N N 15 120.741 0.3 . 1 . . . . . 42 GLN N . 52492 1 197 . 1 . 1 42 42 GLN H H 1 8.171 0.020 . 1 . . . . . 43 GLN H . 52492 1 198 . 1 . 1 42 42 GLN C C 13 173.224 0.3 . 1 . . . . . 43 GLN C . 52492 1 199 . 1 . 1 42 42 GLN CA C 13 52.889 0.3 . 1 . . . . . 43 GLN CA . 52492 1 200 . 1 . 1 42 42 GLN CB C 13 26.491 0.3 . 1 . . . . . 43 GLN CB . 52492 1 201 . 1 . 1 42 42 GLN N N 15 121.118 0.3 . 1 . . . . . 43 GLN N . 52492 1 202 . 1 . 1 43 43 THR H H 1 8.037 0.020 . 1 . . . . . 44 THR H . 52492 1 203 . 1 . 1 43 43 THR C C 13 171.433 0.3 . 1 . . . . . 44 THR C . 52492 1 204 . 1 . 1 43 43 THR CA C 13 59.211 0.3 . 1 . . . . . 44 THR CA . 52492 1 205 . 1 . 1 43 43 THR CB C 13 66.836 0.3 . 1 . . . . . 44 THR CB . 52492 1 206 . 1 . 1 43 43 THR N N 15 115.339 0.3 . 1 . . . . . 44 THR N . 52492 1 207 . 1 . 1 44 44 GLN H H 1 8.210 0.020 . 1 . . . . . 45 GLN H . 52492 1 208 . 1 . 1 44 44 GLN C C 13 171.031 0.3 . 1 . . . . . 45 GLN C . 52492 1 209 . 1 . 1 44 44 GLN CA C 13 50.717 0.3 . 1 . . . . . 45 GLN CA . 52492 1 210 . 1 . 1 44 44 GLN CB C 13 25.816 0.3 . 1 . . . . . 45 GLN CB . 52492 1 211 . 1 . 1 44 44 GLN N N 15 123.453 0.3 . 1 . . . . . 45 GLN N . 52492 1 212 . 1 . 1 45 45 PRO C C 13 173.529 0.3 . 1 . . . . . 46 PRO C . 52492 1 213 . 1 . 1 45 45 PRO CA C 13 60.080 0.3 . 1 . . . . . 46 PRO CA . 52492 1 214 . 1 . 1 45 45 PRO CB C 13 28.904 0.3 . 1 . . . . . 46 PRO CB . 52492 1 215 . 1 . 1 46 46 TYR H H 1 7.900 0.020 . 1 . . . . . 47 TYR H . 52492 1 216 . 1 . 1 46 46 TYR C C 13 172.326 0.3 . 1 . . . . . 47 TYR C . 52492 1 217 . 1 . 1 46 46 TYR CA C 13 54.530 0.3 . 1 . . . . . 47 TYR CA . 52492 1 218 . 1 . 1 46 46 TYR CB C 13 35.612 0.3 . 1 . . . . . 47 TYR CB . 52492 1 219 . 1 . 1 46 46 TYR N N 15 119.656 0.3 . 1 . . . . . 47 TYR N . 52492 1 220 . 1 . 1 47 47 ALA H H 1 7.863 0.020 . 1 . . . . . 48 ALA H . 52492 1 221 . 1 . 1 47 47 ALA C C 13 173.806 0.3 . 1 . . . . . 48 ALA C . 52492 1 222 . 1 . 1 47 47 ALA CA C 13 49.125 0.3 . 1 . . . . . 48 ALA CA . 52492 1 223 . 1 . 1 47 47 ALA CB C 13 16.647 0.3 . 1 . . . . . 48 ALA CB . 52492 1 224 . 1 . 1 47 47 ALA N N 15 125.788 0.3 . 1 . . . . . 48 ALA N . 52492 1 225 . 1 . 1 48 48 VAL H H 1 7.810 0.020 . 1 . . . . . 49 VAL H . 52492 1 226 . 1 . 1 48 48 VAL C C 13 172.685 0.3 . 1 . . . . . 49 VAL C . 52492 1 227 . 1 . 1 48 48 VAL CA C 13 59.163 0.3 . 1 . . . . . 49 VAL CA . 52492 1 228 . 1 . 1 48 48 VAL CB C 13 30.014 0.3 . 1 . . . . . 49 VAL CB . 52492 1 229 . 1 . 1 48 48 VAL N N 15 119.584 0.3 . 1 . . . . . 49 VAL N . 52492 1 230 . 1 . 1 49 49 TYR H H 1 8.160 0.020 . 1 . . . . . 50 TYR H . 52492 1 231 . 1 . 1 49 49 TYR C C 13 172.310 0.3 . 1 . . . . . 50 TYR C . 52492 1 232 . 1 . 1 49 49 TYR CA C 13 54.675 0.3 . 1 . . . . . 50 TYR CA . 52492 1 233 . 1 . 1 49 49 TYR CB C 13 36.143 0.3 . 1 . . . . . 50 TYR CB . 52492 1 234 . 1 . 1 49 49 TYR N N 15 124.670 0.3 . 1 . . . . . 50 TYR N . 52492 1 235 . 1 . 1 50 50 GLU H H 1 8.050 0.020 . 1 . . . . . 51 GLU H . 52492 1 236 . 1 . 1 50 50 GLU C C 13 171.956 0.3 . 1 . . . . . 51 GLU C . 52492 1 237 . 1 . 1 50 50 GLU CA C 13 52.986 0.3 . 1 . . . . . 51 GLU CA . 52492 1 238 . 1 . 1 50 50 GLU CB C 13 27.891 0.3 . 1 . . . . . 51 GLU CB . 52492 1 239 . 1 . 1 50 50 GLU N N 15 124.048 0.3 . 1 . . . . . 51 GLU N . 52492 1 240 . 1 . 1 51 51 GLU H H 1 7.823 0.020 . 1 . . . . . 52 GLU H . 52492 1 241 . 1 . 1 51 51 GLU C C 13 172.244 0.3 . 1 . . . . . 52 GLU C . 52492 1 242 . 1 . 1 51 51 GLU CA C 13 55.157 0.3 . 1 . . . . . 52 GLU CA . 52492 1 243 . 1 . 1 51 51 GLU CB C 13 27.939 0.3 . 1 . . . . . 52 GLU CB . 52492 1 244 . 1 . 1 51 51 GLU N N 15 127.388 0.3 . 1 . . . . . 52 GLU N . 52492 1 stop_ save_