data_27406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27406 _Entry.Title ; Backbone and side chain NMR assignments for heterologously expressed Er-23 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-18 _Entry.Accession_date 2018-02-18 _Entry.Last_release_date 2018-02-19 _Entry.Original_release_date 2018-02-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 David Bowles . P. . . 27406 2 Alexandar Hansen . . . . 27406 3 Calvin Rhoads . . . . 27406 4 Chunhua Yuan . . . . 27406 5 Thomas Magliery . . . . 27406 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Ohio State Chemistry and Biochemistry Department' . 27406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 112 27406 '15N chemical shifts' 56 27406 '1H chemical shifts' 249 27406 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 . . 2019-02-19 2018-02-18 update BMRB 'update entry citation' 27406 1 . . 2018-06-20 2018-02-18 original author 'original release' 27406 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27406 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29876749 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignment of recombinant Euplotes raikovi protein Er-23 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _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 291 _Citation.Page_last 295 _Citation.Year 2018 _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 David Bowles . . . . 27406 1 2 Alexandar Hansen . . . . 27406 1 3 Calvin Rhoads . . . . 27406 1 4 Chunhua Yuan . . . . 27406 1 5 Thomas Magliery . . . . 27406 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Er-23 27406 1 'NMR assignment' 27406 1 Pheromone 27406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27406 _Assembly.ID 1 _Assembly.Name Er-23 _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 Er-23 1 $Er-23 A . yes native no no . . . 27406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Er-23 _Entity.Sf_category entity _Entity.Sf_framecode Er-23 _Entity.Entry_ID 27406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Er-23 _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 ; GSSGECEQCFSDGGDCTTCF NNGTGPCANCLAGYPAGCSN SDCTAFLSQCYGGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Heterologously expressed from E. Coli' _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 'Pheromone of Euplotes raikovi' 27406 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 1 GLY . 27406 1 2 2 SER . 27406 1 3 3 SER . 27406 1 4 4 GLY . 27406 1 5 5 GLU . 27406 1 6 6 CYS . 27406 1 7 7 GLU . 27406 1 8 8 GLN . 27406 1 9 9 CYS . 27406 1 10 10 PHE . 27406 1 11 11 SER . 27406 1 12 12 ASP . 27406 1 13 13 GLY . 27406 1 14 14 GLY . 27406 1 15 15 ASP . 27406 1 16 16 CYS . 27406 1 17 17 THR . 27406 1 18 18 THR . 27406 1 19 19 CYS . 27406 1 20 20 PHE . 27406 1 21 21 ASN . 27406 1 22 22 ASN . 27406 1 23 23 GLY . 27406 1 24 24 THR . 27406 1 25 25 GLY . 27406 1 26 26 PRO . 27406 1 27 27 CYS . 27406 1 28 28 ALA . 27406 1 29 29 ASN . 27406 1 30 30 CYS . 27406 1 31 31 LEU . 27406 1 32 32 ALA . 27406 1 33 33 GLY . 27406 1 34 34 TYR . 27406 1 35 35 PRO . 27406 1 36 36 ALA . 27406 1 37 37 GLY . 27406 1 38 38 CYS . 27406 1 39 39 SER . 27406 1 40 40 ASN . 27406 1 41 41 SER . 27406 1 42 42 ASP . 27406 1 43 43 CYS . 27406 1 44 44 THR . 27406 1 45 45 ALA . 27406 1 46 46 PHE . 27406 1 47 47 LEU . 27406 1 48 48 SER . 27406 1 49 49 GLN . 27406 1 50 50 CYS . 27406 1 51 51 TYR . 27406 1 52 52 GLY . 27406 1 53 53 GLY . 27406 1 54 54 CYS . 27406 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 27406 1 . SER 2 2 27406 1 . SER 3 3 27406 1 . GLY 4 4 27406 1 . GLU 5 5 27406 1 . CYS 6 6 27406 1 . GLU 7 7 27406 1 . GLN 8 8 27406 1 . CYS 9 9 27406 1 . PHE 10 10 27406 1 . SER 11 11 27406 1 . ASP 12 12 27406 1 . GLY 13 13 27406 1 . GLY 14 14 27406 1 . ASP 15 15 27406 1 . CYS 16 16 27406 1 . THR 17 17 27406 1 . THR 18 18 27406 1 . CYS 19 19 27406 1 . PHE 20 20 27406 1 . ASN 21 21 27406 1 . ASN 22 22 27406 1 . GLY 23 23 27406 1 . THR 24 24 27406 1 . GLY 25 25 27406 1 . PRO 26 26 27406 1 . CYS 27 27 27406 1 . ALA 28 28 27406 1 . ASN 29 29 27406 1 . CYS 30 30 27406 1 . LEU 31 31 27406 1 . ALA 32 32 27406 1 . GLY 33 33 27406 1 . TYR 34 34 27406 1 . PRO 35 35 27406 1 . ALA 36 36 27406 1 . GLY 37 37 27406 1 . CYS 38 38 27406 1 . SER 39 39 27406 1 . ASN 40 40 27406 1 . SER 41 41 27406 1 . ASP 42 42 27406 1 . CYS 43 43 27406 1 . THR 44 44 27406 1 . ALA 45 45 27406 1 . PHE 46 46 27406 1 . LEU 47 47 27406 1 . SER 48 48 27406 1 . GLN 49 49 27406 1 . CYS 50 50 27406 1 . TYR 51 51 27406 1 . GLY 52 52 27406 1 . GLY 53 53 27406 1 . CYS 54 54 27406 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 27406 _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 $Er-23 . 5938 organism . 'Euplotes raikovi' 'Euplotes raikovi' . . Eukaryota Ciliophora Euplotes raikovi . . . . . . . . . . . . . 27406 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 27406 _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 $Er-23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHLIC . . . 27406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27406 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Er-23 '[U-100% 13C; U-100% 15N]' . . 1 $Er-23 . . . 1 1.2 mM . . . . 27406 1 2 Tris-HCl 'natural abundance' . . . . . . . 1 50 mM . . . . 27406 1 3 Tris-HCl 'natural abundance' . . . . . . . 1 300 mM . . . . 27406 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 27406 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27406 1 pH 6 . pH 27406 1 pressure 1 . atm 27406 1 temperature 298 . K 27406 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27406 _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 'Bruker Biospin' . . 27406 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27406 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 27406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27406 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Ascend . 700 . . . 27406 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 27406 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 1 8 '3D HNCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27406 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 27406 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27406 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27406 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27406 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 27406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 27406 1 2 '2D 1H-13C HSQC' . . . 27406 1 3 '3D CBCA(CO)NH' . . . 27406 1 4 '3D HNCO' . . . 27406 1 5 '3D HNCA' . . . 27406 1 6 '3D HN(CO)CA' . . . 27406 1 7 '3D HN(CA)CO' . . . 27406 1 8 '3D HNCCH-TOCSY' . . . 27406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 SER HA H 1 4.589 0.03 . 1 . . . . . 2 SER HA . 27406 1 2 . 1 1 2 2 SER HB2 H 1 3.908 0.03 . 2 . . . . . 2 SER HB2 . 27406 1 3 . 1 1 2 2 SER HB3 H 1 3.908 0.03 . 2 . . . . . 2 SER HB3 . 27406 1 4 . 1 1 2 2 SER CA C 13 58.400 0.40 . 1 . . . . . 2 SER CA . 27406 1 5 . 1 1 2 2 SER CB C 13 64.094 0.40 . 1 . . . . . 2 SER CB . 27406 1 6 . 1 1 3 3 SER H H 1 8.579 0.03 . 1 . . . . . 3 SER H . 27406 1 7 . 1 1 3 3 SER HA H 1 4.574 0.03 . 1 . . . . . 3 SER HA . 27406 1 8 . 1 1 3 3 SER HB2 H 1 3.886 0.03 . 2 . . . . . 3 SER HB2 . 27406 1 9 . 1 1 3 3 SER HB3 H 1 3.886 0.03 . 2 . . . . . 3 SER HB3 . 27406 1 10 . 1 1 3 3 SER CA C 13 58.578 0.40 . 1 . . . . . 3 SER CA . 27406 1 11 . 1 1 3 3 SER CB C 13 64.094 0.40 . 1 . . . . . 3 SER CB . 27406 1 12 . 1 1 3 3 SER N N 15 118.011 0.40 . 1 . . . . . 3 SER N . 27406 1 13 . 1 1 4 4 GLY H H 1 8.461 0.03 . 1 . . . . . 4 GLY H . 27406 1 14 . 1 1 4 4 GLY HA2 H 1 4.035 0.03 . 2 . . . . . 4 GLY HA2 . 27406 1 15 . 1 1 4 4 GLY HA3 H 1 3.972 0.03 . 2 . . . . . 4 GLY HA3 . 27406 1 16 . 1 1 4 4 GLY CA C 13 45.548 0.40 . 1 . . . . . 4 GLY CA . 27406 1 17 . 1 1 4 4 GLY N N 15 111.119 0.40 . 1 . . . . . 4 GLY N . 27406 1 18 . 1 1 5 5 GLU H H 1 8.673 0.03 . 1 . . . . . 5 GLU H . 27406 1 19 . 1 1 5 5 GLU HA H 1 4.283 0.03 . 1 . . . . . 5 GLU HA . 27406 1 20 . 1 1 5 5 GLU HB2 H 1 2.144 0.03 . 1 . . . . . 5 GLU HB2 . 27406 1 21 . 1 1 5 5 GLU HB3 H 1 1.963 0.03 . 1 . . . . . 5 GLU HB3 . 27406 1 22 . 1 1 5 5 GLU HG2 H 1 2.319 0.03 . 2 . . . . . 5 GLU HG2 . 27406 1 23 . 1 1 5 5 GLU HG3 H 1 2.319 0.03 . 2 . . . . . 5 GLU HG3 . 27406 1 24 . 1 1 5 5 GLU CA C 13 58.076 0.40 . 1 . . . . . 5 GLU CA . 27406 1 25 . 1 1 5 5 GLU CB C 13 30.148 0.40 . 1 . . . . . 5 GLU CB . 27406 1 26 . 1 1 5 5 GLU CG C 13 36.424 0.40 . 1 . . . . . 5 GLU CG . 27406 1 27 . 1 1 5 5 GLU N N 15 118.781 0.40 . 1 . . . . . 5 GLU N . 27406 1 28 . 1 1 6 6 CYS H H 1 10.609 0.03 . 1 . . . . . 6 CYS H . 27406 1 29 . 1 1 6 6 CYS HA H 1 4.350 0.03 . 1 . . . . . 6 CYS HA . 27406 1 30 . 1 1 6 6 CYS HB2 H 1 3.574 0.03 . 1 . . . . . 6 CYS HB2 . 27406 1 31 . 1 1 6 6 CYS HB3 H 1 2.949 0.03 . 1 . . . . . 6 CYS HB3 . 27406 1 32 . 1 1 6 6 CYS CA C 13 59.062 0.40 . 1 . . . . . 6 CYS CA . 27406 1 33 . 1 1 6 6 CYS CB C 13 38.044 0.40 . 1 . . . . . 6 CYS CB . 27406 1 34 . 1 1 6 6 CYS N N 15 125.055 0.40 . 1 . . . . . 6 CYS N . 27406 1 35 . 1 1 7 7 GLU H H 1 9.286 0.03 . 1 . . . . . 7 GLU H . 27406 1 36 . 1 1 7 7 GLU HA H 1 4.212 0.03 . 1 . . . . . 7 GLU HA . 27406 1 37 . 1 1 7 7 GLU HB2 H 1 2.208 0.03 . 1 . . . . . 7 GLU HB2 . 27406 1 38 . 1 1 7 7 GLU HB3 H 1 2.095 0.03 . 1 . . . . . 7 GLU HB3 . 27406 1 39 . 1 1 7 7 GLU HG2 H 1 2.537 0.03 . 1 . . . . . 7 GLU HG2 . 27406 1 40 . 1 1 7 7 GLU HG3 H 1 2.278 0.03 . 1 . . . . . 7 GLU HG3 . 27406 1 41 . 1 1 7 7 GLU CA C 13 60.576 0.40 . 1 . . . . . 7 GLU CA . 27406 1 42 . 1 1 7 7 GLU CB C 13 29.379 0.40 . 1 . . . . . 7 GLU CB . 27406 1 43 . 1 1 7 7 GLU CG C 13 37.079 0.40 . 1 . . . . . 7 GLU CG . 27406 1 44 . 1 1 7 7 GLU N N 15 123.009 0.40 . 1 . . . . . 7 GLU N . 27406 1 45 . 1 1 8 8 GLN H H 1 8.608 0.03 . 1 . . . . . 8 GLN H . 27406 1 46 . 1 1 8 8 GLN HA H 1 3.910 0.03 . 1 . . . . . 8 GLN HA . 27406 1 47 . 1 1 8 8 GLN HB2 H 1 2.189 0.03 . 1 . . . . . 8 GLN HB2 . 27406 1 48 . 1 1 8 8 GLN HB3 H 1 1.925 0.03 . 1 . . . . . 8 GLN HB3 . 27406 1 49 . 1 1 8 8 GLN HG2 H 1 2.397 0.03 . 2 . . . . . 8 GLN HG2 . 27406 1 50 . 1 1 8 8 GLN HG3 H 1 2.397 0.03 . 2 . . . . . 8 GLN HG3 . 27406 1 51 . 1 1 8 8 GLN HE21 H 1 7.802 0.03 . 1 . . . . . 8 GLN HE21 . 27406 1 52 . 1 1 8 8 GLN HE22 H 1 6.821 0.03 . 1 . . . . . 8 GLN HE22 . 27406 1 53 . 1 1 8 8 GLN CA C 13 58.384 0.40 . 1 . . . . . 8 GLN CA . 27406 1 54 . 1 1 8 8 GLN CB C 13 28.543 0.40 . 1 . . . . . 8 GLN CB . 27406 1 55 . 1 1 8 8 GLN CG C 13 33.518 0.40 . 1 . . . . . 8 GLN CG . 27406 1 56 . 1 1 8 8 GLN N N 15 118.656 0.40 . 1 . . . . . 8 GLN N . 27406 1 57 . 1 1 8 8 GLN NE2 N 15 114.674 0.40 . 1 . . . . . 8 GLN NE2 . 27406 1 58 . 1 1 9 9 CYS H H 1 7.614 0.03 . 1 . . . . . 9 CYS H . 27406 1 59 . 1 1 9 9 CYS HA H 1 4.214 0.03 . 1 . . . . . 9 CYS HA . 27406 1 60 . 1 1 9 9 CYS HB2 H 1 3.589 0.03 . 1 . . . . . 9 CYS HB2 . 27406 1 61 . 1 1 9 9 CYS HB3 H 1 3.376 0.03 . 1 . . . . . 9 CYS HB3 . 27406 1 62 . 1 1 9 9 CYS CA C 13 61.155 0.40 . 1 . . . . . 9 CYS CA . 27406 1 63 . 1 1 9 9 CYS CB C 13 42.905 0.40 . 1 . . . . . 9 CYS CB . 27406 1 64 . 1 1 9 9 CYS N N 15 118.240 0.40 . 1 . . . . . 9 CYS N . 27406 1 65 . 1 1 10 10 PHE H H 1 7.850 0.03 . 1 . . . . . 10 PHE H . 27406 1 66 . 1 1 10 10 PHE HA H 1 4.063 0.03 . 1 . . . . . 10 PHE HA . 27406 1 67 . 1 1 10 10 PHE HB2 H 1 3.208 0.03 . 1 . . . . . 10 PHE HB2 . 27406 1 68 . 1 1 10 10 PHE HB3 H 1 3.113 0.03 . 1 . . . . . 10 PHE HB3 . 27406 1 69 . 1 1 10 10 PHE CA C 13 62.168 0.40 . 1 . . . . . 10 PHE CA . 27406 1 70 . 1 1 10 10 PHE CB C 13 39.282 0.40 . 1 . . . . . 10 PHE CB . 27406 1 71 . 1 1 10 10 PHE N N 15 119.937 0.40 . 1 . . . . . 10 PHE N . 27406 1 72 . 1 1 11 11 SER H H 1 8.864 0.03 . 1 . . . . . 11 SER H . 27406 1 73 . 1 1 11 11 SER HA H 1 4.275 0.03 . 1 . . . . . 11 SER HA . 27406 1 74 . 1 1 11 11 SER HB2 H 1 3.999 0.03 . 1 . . . . . 11 SER HB2 . 27406 1 75 . 1 1 11 11 SER HB3 H 1 3.999 0.03 . 1 . . . . . 11 SER HB3 . 27406 1 76 . 1 1 11 11 SER CA C 13 61.751 0.40 . 1 . . . . . 11 SER CA . 27406 1 77 . 1 1 11 11 SER CB C 13 63.557 0.40 . 1 . . . . . 11 SER CB . 27406 1 78 . 1 1 11 11 SER N N 15 119.474 0.40 . 1 . . . . . 11 SER N . 27406 1 79 . 1 1 12 12 ASP H H 1 8.053 0.03 . 1 . . . . . 12 ASP H . 27406 1 80 . 1 1 12 12 ASP HA H 1 4.266 0.03 . 1 . . . . . 12 ASP HA . 27406 1 81 . 1 1 12 12 ASP HB2 H 1 3.040 0.03 . 1 . . . . . 12 ASP HB2 . 27406 1 82 . 1 1 12 12 ASP HB3 H 1 2.675 0.03 . 1 . . . . . 12 ASP HB3 . 27406 1 83 . 1 1 12 12 ASP CA C 13 54.602 0.40 . 1 . . . . . 12 ASP CA . 27406 1 84 . 1 1 12 12 ASP CB C 13 37.794 0.40 . 1 . . . . . 12 ASP CB . 27406 1 85 . 1 1 12 12 ASP N N 15 119.181 0.40 . 1 . . . . . 12 ASP N . 27406 1 86 . 1 1 13 13 GLY H H 1 5.727 0.03 . 1 . . . . . 13 GLY H . 27406 1 87 . 1 1 13 13 GLY HA2 H 1 4.394 0.03 . 1 . . . . . 13 GLY HA2 . 27406 1 88 . 1 1 13 13 GLY HA3 H 1 3.805 0.03 . 1 . . . . . 13 GLY HA3 . 27406 1 89 . 1 1 13 13 GLY CA C 13 45.320 0.40 . 1 . . . . . 13 GLY CA . 27406 1 90 . 1 1 13 13 GLY N N 15 103.050 0.40 . 1 . . . . . 13 GLY N . 27406 1 91 . 1 1 14 14 GLY H H 1 8.009 0.03 . 1 . . . . . 14 GLY H . 27406 1 92 . 1 1 14 14 GLY HA2 H 1 3.907 0.03 . 1 . . . . . 14 GLY HA2 . 27406 1 93 . 1 1 14 14 GLY HA3 H 1 3.416 0.03 . 1 . . . . . 14 GLY HA3 . 27406 1 94 . 1 1 14 14 GLY CA C 13 44.931 0.40 . 1 . . . . . 14 GLY CA . 27406 1 95 . 1 1 14 14 GLY N N 15 108.879 0.40 . 1 . . . . . 14 GLY N . 27406 1 96 . 1 1 15 15 ASP H H 1 7.594 0.03 . 1 . . . . . 15 ASP H . 27406 1 97 . 1 1 15 15 ASP HA H 1 4.781 0.03 . 1 . . . . . 15 ASP HA . 27406 1 98 . 1 1 15 15 ASP HB2 H 1 3.182 0.03 . 1 . . . . . 15 ASP HB2 . 27406 1 99 . 1 1 15 15 ASP HB3 H 1 2.758 0.03 . 1 . . . . . 15 ASP HB3 . 27406 1 100 . 1 1 15 15 ASP CA C 13 52.518 0.40 . 1 . . . . . 15 ASP CA . 27406 1 101 . 1 1 15 15 ASP CB C 13 43.001 0.40 . 1 . . . . . 15 ASP CB . 27406 1 102 . 1 1 15 15 ASP N N 15 116.899 0.40 . 1 . . . . . 15 ASP N . 27406 1 103 . 1 1 16 16 CYS H H 1 8.566 0.03 . 1 . . . . . 16 CYS H . 27406 1 104 . 1 1 16 16 CYS HA H 1 4.526 0.03 . 1 . . . . . 16 CYS HA . 27406 1 105 . 1 1 16 16 CYS HB2 H 1 3.009 0.03 . 2 . . . . . 16 CYS HB2 . 27406 1 106 . 1 1 16 16 CYS HB3 H 1 3.103 0.03 . 2 . . . . . 16 CYS HB3 . 27406 1 107 . 1 1 16 16 CYS CA C 13 59.496 0.40 . 1 . . . . . 16 CYS CA . 27406 1 108 . 1 1 16 16 CYS CB C 13 39.025 0.40 . 1 . . . . . 16 CYS CB . 27406 1 109 . 1 1 16 16 CYS N N 15 115.557 0.40 . 1 . . . . . 16 CYS N . 27406 1 110 . 1 1 17 17 THR H H 1 8.422 0.03 . 1 . . . . . 17 THR H . 27406 1 111 . 1 1 17 17 THR HA H 1 4.295 0.03 . 1 . . . . . 17 THR HA . 27406 1 112 . 1 1 17 17 THR HB H 1 4.461 0.03 . 1 . . . . . 17 THR HB . 27406 1 113 . 1 1 17 17 THR HG21 H 1 1.311 0.03 . 1 . . . . . 17 THR HG1 . 27406 1 114 . 1 1 17 17 THR HG22 H 1 1.311 0.03 . 1 . . . . . 17 THR HG1 . 27406 1 115 . 1 1 17 17 THR HG23 H 1 1.311 0.03 . 1 . . . . . 17 THR HG1 . 27406 1 116 . 1 1 17 17 THR CA C 13 66.501 0.40 . 1 . . . . . 17 THR CA . 27406 1 117 . 1 1 17 17 THR CB C 13 68.693 0.40 . 1 . . . . . 17 THR CB . 27406 1 118 . 1 1 17 17 THR CG2 C 13 21.800 0.40 . 1 . . . . . 17 THR CG2 . 27406 1 119 . 1 1 17 17 THR N N 15 115.881 0.40 . 1 . . . . . 17 THR N . 27406 1 120 . 1 1 18 18 THR H H 1 9.401 0.03 . 1 . . . . . 18 THR H . 27406 1 121 . 1 1 18 18 THR HA H 1 4.215 0.03 . 1 . . . . . 18 THR HA . 27406 1 122 . 1 1 18 18 THR HB H 1 4.173 0.03 . 1 . . . . . 18 THR HB . 27406 1 123 . 1 1 18 18 THR HG21 H 1 1.328 0.03 . 1 . . . . . 18 THR HG1 . 27406 1 124 . 1 1 18 18 THR HG22 H 1 1.328 0.03 . 1 . . . . . 18 THR HG1 . 27406 1 125 . 1 1 18 18 THR HG23 H 1 1.328 0.03 . 1 . . . . . 18 THR HG1 . 27406 1 126 . 1 1 18 18 THR CA C 13 65.703 0.40 . 1 . . . . . 18 THR CA . 27406 1 127 . 1 1 18 18 THR CB C 13 68.473 0.40 . 1 . . . . . 18 THR CB . 27406 1 128 . 1 1 18 18 THR CG2 C 13 21.848 0.40 . 1 . . . . . 18 THR CG2 . 27406 1 129 . 1 1 18 18 THR N N 15 119.178 0.40 . 1 . . . . . 18 THR N . 27406 1 130 . 1 1 19 19 CYS H H 1 8.541 0.03 . 1 . . . . . 19 CYS H . 27406 1 131 . 1 1 19 19 CYS HA H 1 4.694 0.03 . 1 . . . . . 19 CYS HA . 27406 1 132 . 1 1 19 19 CYS HB2 H 1 3.001 0.03 . 1 . . . . . 19 CYS HB2 . 27406 1 133 . 1 1 19 19 CYS HB3 H 1 2.593 0.03 . 1 . . . . . 19 CYS HB3 . 27406 1 134 . 1 1 19 19 CYS CA C 13 55.905 0.40 . 1 . . . . . 19 CYS CA . 27406 1 135 . 1 1 19 19 CYS CB C 13 40.344 0.40 . 1 . . . . . 19 CYS CB . 27406 1 136 . 1 1 19 19 CYS N N 15 116.571 0.40 . 1 . . . . . 19 CYS N . 27406 1 137 . 1 1 20 20 PHE H H 1 7.728 0.03 . 1 . . . . . 20 PHE H . 27406 1 138 . 1 1 20 20 PHE HA H 1 4.384 0.03 . 1 . . . . . 20 PHE HA . 27406 1 139 . 1 1 20 20 PHE HB2 H 1 3.482 0.03 . 2 . . . . . 20 PHE HB2 . 27406 1 140 . 1 1 20 20 PHE HB3 H 1 3.482 0.03 . 2 . . . . . 20 PHE HB3 . 27406 1 141 . 1 1 20 20 PHE CA C 13 60.302 0.40 . 1 . . . . . 20 PHE CA . 27406 1 142 . 1 1 20 20 PHE CB C 13 41.266 0.40 . 1 . . . . . 20 PHE CB . 27406 1 143 . 1 1 20 20 PHE N N 15 120.768 0.40 . 1 . . . . . 20 PHE N . 27406 1 144 . 1 1 21 21 ASN H H 1 8.733 0.03 . 1 . . . . . 21 ASN H . 27406 1 145 . 1 1 21 21 ASN HA H 1 4.438 0.03 . 1 . . . . . 21 ASN HA . 27406 1 146 . 1 1 21 21 ASN HB2 H 1 2.872 0.03 . 1 . . . . . 21 ASN HB2 . 27406 1 147 . 1 1 21 21 ASN HB3 H 1 2.592 0.03 . 1 . . . . . 21 ASN HB3 . 27406 1 148 . 1 1 21 21 ASN HD21 H 1 7.332 0.03 . 1 . . . . . 21 ASN HD21 . 27406 1 149 . 1 1 21 21 ASN HD22 H 1 6.7332 0.03 . 1 . . . . . 21 ASN HD22 . 27406 1 150 . 1 1 21 21 ASN CA C 13 53.403 0.40 . 1 . . . . . 21 ASN CA . 27406 1 151 . 1 1 21 21 ASN CB C 13 37.378 0.40 . 1 . . . . . 21 ASN CB . 27406 1 152 . 1 1 21 21 ASN N N 15 122.050 0.40 . 1 . . . . . 21 ASN N . 27406 1 153 . 1 1 21 21 ASN ND2 N 15 111.088 0.40 . 1 . . . . . 21 ASN ND2 . 27406 1 154 . 1 1 22 22 ASN H H 1 9.395 0.03 . 1 . . . . . 22 ASN H . 27406 1 155 . 1 1 22 22 ASN HA H 1 4.741 0.03 . 1 . . . . . 22 ASN HA . 27406 1 156 . 1 1 22 22 ASN HB2 H 1 2.650 0.03 . 1 . . . . . 22 ASN HB2 . 27406 1 157 . 1 1 22 22 ASN HB3 H 1 2.931 0.03 . 1 . . . . . 22 ASN HB3 . 27406 1 158 . 1 1 22 22 ASN HD21 H 1 7.553 0.03 . 1 . . . . . 22 ASN HD21 . 27406 1 159 . 1 1 22 22 ASN HD22 H 1 6.892 0.03 . 1 . . . . . 22 ASN HD22 . 27406 1 160 . 1 1 22 22 ASN CA C 13 54.688 0.40 . 1 . . . . . 22 ASN CA . 27406 1 161 . 1 1 22 22 ASN CB C 13 40.674 0.40 . 1 . . . . . 22 ASN CB . 27406 1 162 . 1 1 22 22 ASN N N 15 116.073 0.40 . 1 . . . . . 22 ASN N . 27406 1 163 . 1 1 22 22 ASN ND2 N 15 113.462 0.40 . 1 . . . . . 22 ASN ND2 . 27406 1 164 . 1 1 23 23 GLY H H 1 7.839 0.03 . 1 . . . . . 23 GLY H . 27406 1 165 . 1 1 23 23 GLY HA2 H 1 2.814 0.03 . 1 . . . . . 23 GLY HA2 . 27406 1 166 . 1 1 23 23 GLY HA3 H 1 4.338 0.03 . 1 . . . . . 23 GLY HA3 . 27406 1 167 . 1 1 23 23 GLY CA C 13 45.245 0.40 . 1 . . . . . 23 GLY CA . 27406 1 168 . 1 1 23 23 GLY N N 15 106.827 0.40 . 1 . . . . . 23 GLY N . 27406 1 169 . 1 1 24 24 THR H H 1 7.482 0.03 . 1 . . . . . 24 THR H . 27406 1 170 . 1 1 24 24 THR HA H 1 4.588 0.03 . 1 . . . . . 24 THR HA . 27406 1 171 . 1 1 24 24 THR HB H 1 4.404 0.03 . 1 . . . . . 24 THR HB . 27406 1 172 . 1 1 24 24 THR HG21 H 1 1.045 0.03 . 1 . . . . . 24 THR HG1 . 27406 1 173 . 1 1 24 24 THR HG22 H 1 1.045 0.03 . 1 . . . . . 24 THR HG1 . 27406 1 174 . 1 1 24 24 THR HG23 H 1 1.045 0.03 . 1 . . . . . 24 THR HG1 . 27406 1 175 . 1 1 24 24 THR CA C 13 61.076 0.40 . 1 . . . . . 24 THR CA . 27406 1 176 . 1 1 24 24 THR CB C 13 70.096 0.40 . 1 . . . . . 24 THR CB . 27406 1 177 . 1 1 24 24 THR CG2 C 13 20.956 0.40 . 1 . . . . . 24 THR CG2 . 27406 1 178 . 1 1 24 24 THR N N 15 108.355 0.40 . 1 . . . . . 24 THR N . 27406 1 179 . 1 1 25 25 GLY H H 1 7.770 0.03 . 1 . . . . . 25 GLY H . 27406 1 180 . 1 1 25 25 GLY N N 15 108.693 0.40 . 1 . . . . . 25 GLY N . 27406 1 181 . 1 1 26 26 PRO HA H 1 4.454 0.03 . 1 . . . . . 26 PRO HA . 27406 1 182 . 1 1 26 26 PRO HB2 H 1 2.375 0.03 . 1 . . . . . 26 PRO HB2 . 27406 1 183 . 1 1 26 26 PRO HB3 H 1 1.712 0.03 . 1 . . . . . 26 PRO HB3 . 27406 1 184 . 1 1 26 26 PRO HG2 H 1 2.196 0.03 . 1 . . . . . 26 PRO HG2 . 27406 1 185 . 1 1 26 26 PRO HG3 H 1 2.057 0.03 . 1 . . . . . 26 PRO HG3 . 27406 1 186 . 1 1 26 26 PRO HD2 H 1 3.752 0.03 . 2 . . . . . 26 PRO HD2 . 27406 1 187 . 1 1 26 26 PRO HD3 H 1 3.816 0.03 . 2 . . . . . 26 PRO HD3 . 27406 1 188 . 1 1 26 26 PRO CA C 13 64.747 0.40 . 1 . . . . . 26 PRO CA . 27406 1 189 . 1 1 26 26 PRO CB C 13 33.092 0.40 . 1 . . . . . 26 PRO CB . 27406 1 190 . 1 1 26 26 PRO CG C 13 28.395 0.40 . 1 . . . . . 26 PRO CG . 27406 1 191 . 1 1 26 26 PRO CD C 13 50.519 0.40 . 1 . . . . . 26 PRO CD . 27406 1 192 . 1 1 27 27 CYS H H 1 7.690 0.03 . 1 . . . . . 27 CYS H . 27406 1 193 . 1 1 27 27 CYS HA H 1 4.508 0.03 . 1 . . . . . 27 CYS HA . 27406 1 194 . 1 1 27 27 CYS HB2 H 1 1.304 0.03 . 1 . . . . . 27 CYS HB2 . 27406 1 195 . 1 1 27 27 CYS HB3 H 1 1.712 0.03 . 1 . . . . . 27 CYS HB3 . 27406 1 196 . 1 1 27 27 CYS CA C 13 54.820 0.40 . 1 . . . . . 27 CYS CA . 27406 1 197 . 1 1 27 27 CYS CB C 13 41.190 0.40 . 1 . . . . . 27 CYS CB . 27406 1 198 . 1 1 27 27 CYS N N 15 110.657 0.40 . 1 . . . . . 27 CYS N . 27406 1 199 . 1 1 28 28 ALA H H 1 7.856 0.03 . 1 . . . . . 28 ALA H . 27406 1 200 . 1 1 28 28 ALA HA H 1 4.114 0.03 . 1 . . . . . 28 ALA HA . 27406 1 201 . 1 1 28 28 ALA HB1 H 1 1.272 0.03 . 1 . . . . . 28 ALA MB . 27406 1 202 . 1 1 28 28 ALA HB2 H 1 1.272 0.03 . 1 . . . . . 28 ALA MB . 27406 1 203 . 1 1 28 28 ALA HB3 H 1 1.272 0.03 . 1 . . . . . 28 ALA MB . 27406 1 204 . 1 1 28 28 ALA CA C 13 56.818 0.40 . 1 . . . . . 28 ALA CA . 27406 1 205 . 1 1 28 28 ALA CB C 13 18.444 0.40 . 1 . . . . . 28 ALA CB . 27406 1 206 . 1 1 28 28 ALA N N 15 123.489 0.40 . 1 . . . . . 28 ALA N . 27406 1 207 . 1 1 29 29 ASN H H 1 8.824 0.03 . 1 . . . . . 29 ASN H . 27406 1 208 . 1 1 29 29 ASN HA H 1 4.540 0.03 . 1 . . . . . 29 ASN HA . 27406 1 209 . 1 1 29 29 ASN HB2 H 1 2.828 0.03 . 2 . . . . . 29 ASN HB2 . 27406 1 210 . 1 1 29 29 ASN HB3 H 1 2.828 0.03 . 2 . . . . . 29 ASN HB3 . 27406 1 211 . 1 1 29 29 ASN HD21 H 1 7.567 0.03 . 1 . . . . . 29 ASN HD21 . 27406 1 212 . 1 1 29 29 ASN HD22 H 1 6.884 0.03 . 1 . . . . . 29 ASN HD22 . 27406 1 213 . 1 1 29 29 ASN CA C 13 55.811 0.40 . 1 . . . . . 29 ASN CA . 27406 1 214 . 1 1 29 29 ASN CB C 13 37.949 0.40 . 1 . . . . . 29 ASN CB . 27406 1 215 . 1 1 29 29 ASN N N 15 114.400 0.40 . 1 . . . . . 29 ASN N . 27406 1 216 . 1 1 29 29 ASN ND2 N 15 112.923 0.40 . 1 . . . . . 29 ASN ND2 . 27406 1 217 . 1 1 30 30 CYS H H 1 7.833 0.03 . 1 . . . . . 30 CYS H . 27406 1 218 . 1 1 30 30 CYS HA H 1 4.620 0.03 . 1 . . . . . 30 CYS HA . 27406 1 219 . 1 1 30 30 CYS HB2 H 1 3.423 0.03 . 1 . . . . . 30 CYS HB2 . 27406 1 220 . 1 1 30 30 CYS HB3 H 1 3.041 0.03 . 1 . . . . . 30 CYS HB3 . 27406 1 221 . 1 1 30 30 CYS CA C 13 55.811 0.03 . 1 . . . . . 30 CYS CA . 27406 1 222 . 1 1 30 30 CYS CB C 13 37.949 0.03 . 1 . . . . . 30 CYS CB . 27406 1 223 . 1 1 30 30 CYS N N 15 116.910 0.40 . 1 . . . . . 30 CYS N . 27406 1 224 . 1 1 31 31 LEU H H 1 7.581 0.03 . 1 . . . . . 31 LEU H . 27406 1 225 . 1 1 31 31 LEU HA H 1 4.243 0.03 . 1 . . . . . 31 LEU HA . 27406 1 226 . 1 1 31 31 LEU HB2 H 1 1.626 0.03 . 2 . . . . . 31 LEU HB2 . 27406 1 227 . 1 1 31 31 LEU HB3 H 1 1.695 0.03 . 2 . . . . . 31 LEU HB3 . 27406 1 228 . 1 1 31 31 LEU HG H 1 1.385 0.03 . 1 . . . . . 31 LEU HG . 27406 1 229 . 1 1 31 31 LEU HD11 H 1 0.483 0.03 . 1 . . . . . 31 LEU MD1 . 27406 1 230 . 1 1 31 31 LEU HD12 H 1 0.483 0.03 . 1 . . . . . 31 LEU MD1 . 27406 1 231 . 1 1 31 31 LEU HD13 H 1 0.483 0.03 . 1 . . . . . 31 LEU MD1 . 27406 1 232 . 1 1 31 31 LEU HD21 H 1 0.131 0.03 . 1 . . . . . 31 LEU MD2 . 27406 1 233 . 1 1 31 31 LEU HD22 H 1 0.131 0.03 . 1 . . . . . 31 LEU MD2 . 27406 1 234 . 1 1 31 31 LEU HD23 H 1 0.131 0.03 . 1 . . . . . 31 LEU MD2 . 27406 1 235 . 1 1 31 31 LEU CA C 13 55.479 0.40 . 1 . . . . . 31 LEU CA . 27406 1 236 . 1 1 31 31 LEU CB C 13 43.047 0.40 . 1 . . . . . 31 LEU CB . 27406 1 237 . 1 1 31 31 LEU CG C 13 27.981 0.40 . 1 . . . . . 31 LEU CG . 27406 1 238 . 1 1 31 31 LEU CD1 C 13 24.966 0.40 . 1 . . . . . 31 LEU CD1 . 27406 1 239 . 1 1 31 31 LEU CD2 C 13 22.965 0.40 . 1 . . . . . 31 LEU CD2 . 27406 1 240 . 1 1 31 31 LEU N N 15 118.292 0.40 . 1 . . . . . 31 LEU N . 27406 1 241 . 1 1 32 32 ALA H H 1 7.393 0.03 . 1 . . . . . 32 ALA H . 27406 1 242 . 1 1 32 32 ALA HA H 1 4.323 0.03 . 1 . . . . . 32 ALA HA . 27406 1 243 . 1 1 32 32 ALA HB1 H 1 1.495 0.03 . 1 . . . . . 32 ALA MB . 27406 1 244 . 1 1 32 32 ALA HB2 H 1 1.495 0.03 . 1 . . . . . 32 ALA MB . 27406 1 245 . 1 1 32 32 ALA HB3 H 1 1.495 0.03 . 1 . . . . . 32 ALA MB . 27406 1 246 . 1 1 32 32 ALA CA C 13 53.385 0.40 . 1 . . . . . 32 ALA CA . 27406 1 247 . 1 1 32 32 ALA CB C 13 18.117 0.40 . 1 . . . . . 32 ALA CB . 27406 1 248 . 1 1 32 32 ALA N N 15 124.016 0.40 . 1 . . . . . 32 ALA N . 27406 1 249 . 1 1 33 33 GLY H H 1 9.339 0.03 . 1 . . . . . 33 GLY H . 27406 1 250 . 1 1 33 33 GLY HA2 H 1 3.959 0.03 . 2 . . . . . 33 GLY HA2 . 27406 1 251 . 1 1 33 33 GLY HA3 H 1 3.862 0.03 . 2 . . . . . 33 GLY HA3 . 27406 1 252 . 1 1 33 33 GLY CA C 13 47.035 0.40 . 1 . . . . . 33 GLY CA . 27406 1 253 . 1 1 33 33 GLY N N 15 114.920 0.40 . 1 . . . . . 33 GLY N . 27406 1 254 . 1 1 34 34 TYR H H 1 7.408 0.03 . 1 . . . . . 34 TYR H . 27406 1 255 . 1 1 34 34 TYR N N 15 122.786 0.40 . 1 . . . . . 34 TYR N . 27406 1 256 . 1 1 35 35 PRO HA H 1 3.338 0.03 . 1 . . . . . 35 PRO HA . 27406 1 257 . 1 1 35 35 PRO HB2 H 1 2.135 0.03 . 1 . . . . . 35 PRO HB2 . 27406 1 258 . 1 1 35 35 PRO HB3 H 1 0.923 0.03 . 1 . . . . . 35 PRO HB3 . 27406 1 259 . 1 1 35 35 PRO HG2 H 1 1.730 0.03 . 1 . . . . . 35 PRO HG2 . 27406 1 260 . 1 1 35 35 PRO HG3 H 1 0.923 0.03 . 1 . . . . . 35 PRO HG3 . 27406 1 261 . 1 1 35 35 PRO HD2 H 1 3.338 0.03 . 2 . . . . . 35 PRO HD2 . 27406 1 262 . 1 1 35 35 PRO HD3 H 1 3.338 0.03 . 2 . . . . . 35 PRO HD3 . 27406 1 263 . 1 1 35 35 PRO CA C 13 64.137 0.40 . 1 . . . . . 35 PRO CA . 27406 1 264 . 1 1 35 35 PRO CB C 13 32.298 0.40 . 1 . . . . . 35 PRO CB . 27406 1 265 . 1 1 35 35 PRO CG C 13 24.228 0.40 . 1 . . . . . 35 PRO CG . 27406 1 266 . 1 1 35 35 PRO CD C 13 49.634 0.40 . 1 . . . . . 35 PRO CD . 27406 1 267 . 1 1 36 36 ALA H H 1 9.254 0.03 . 1 . . . . . 36 ALA H . 27406 1 268 . 1 1 36 36 ALA HA H 1 3.987 0.03 . 1 . . . . . 36 ALA HA . 27406 1 269 . 1 1 36 36 ALA HB1 H 1 1.419 0.03 . 1 . . . . . 36 ALA MB . 27406 1 270 . 1 1 36 36 ALA HB2 H 1 1.419 0.03 . 1 . . . . . 36 ALA MB . 27406 1 271 . 1 1 36 36 ALA HB3 H 1 1.419 0.03 . 1 . . . . . 36 ALA MB . 27406 1 272 . 1 1 36 36 ALA CA C 13 56.457 0.40 . 1 . . . . . 36 ALA CA . 27406 1 273 . 1 1 36 36 ALA CB C 13 18.485 0.40 . 1 . . . . . 36 ALA CB . 27406 1 274 . 1 1 36 36 ALA N N 15 132.538 0.40 . 1 . . . . . 36 ALA N . 27406 1 275 . 1 1 37 37 GLY H H 1 9.555 0.03 . 1 . . . . . 37 GLY H . 27406 1 276 . 1 1 37 37 GLY HA2 H 1 4.018 0.03 . 1 . . . . . 37 GLY HA2 . 27406 1 277 . 1 1 37 37 GLY HA3 H 1 3.394 0.03 . 1 . . . . . 37 GLY HA3 . 27406 1 278 . 1 1 37 37 GLY CA C 13 46.426 0.40 . 1 . . . . . 37 GLY CA . 27406 1 279 . 1 1 37 37 GLY N N 15 105.548 0.40 . 1 . . . . . 37 GLY N . 27406 1 280 . 1 1 38 38 CYS H H 1 7.901 0.03 . 1 . . . . . 38 CYS H . 27406 1 281 . 1 1 38 38 CYS HA H 1 4.288 0.03 . 1 . . . . . 38 CYS HA . 27406 1 282 . 1 1 38 38 CYS HB2 H 1 2.981 0.03 . 1 . . . . . 38 CYS HB2 . 27406 1 283 . 1 1 38 38 CYS HB3 H 1 3.084 0.03 . 1 . . . . . 38 CYS HB3 . 27406 1 284 . 1 1 38 38 CYS CA C 13 57.742 0.40 . 1 . . . . . 38 CYS CA . 27406 1 285 . 1 1 38 38 CYS CB C 13 37.858 0.40 . 1 . . . . . 38 CYS CB . 27406 1 286 . 1 1 38 38 CYS N N 15 117.277 0.40 . 1 . . . . . 38 CYS N . 27406 1 287 . 1 1 39 39 SER H H 1 7.700 0.03 . 1 . . . . . 39 SER H . 27406 1 288 . 1 1 39 39 SER HA H 1 4.483 0.03 . 1 . . . . . 39 SER HA . 27406 1 289 . 1 1 39 39 SER HB2 H 1 3.972 0.03 . 2 . . . . . 39 SER HB2 . 27406 1 290 . 1 1 39 39 SER HB3 H 1 3.972 0.03 . 2 . . . . . 39 SER HB3 . 27406 1 291 . 1 1 39 39 SER CA C 13 58.688 0.40 . 1 . . . . . 39 SER CA . 27406 1 292 . 1 1 39 39 SER CB C 13 63.596 0.40 . 1 . . . . . 39 SER CB . 27406 1 293 . 1 1 39 39 SER N N 15 112.941 0.40 . 1 . . . . . 39 SER N . 27406 1 294 . 1 1 40 40 ASN H H 1 7.644 0.03 . 1 . . . . . 40 ASN H . 27406 1 295 . 1 1 40 40 ASN HA H 1 4.928 0.03 . 1 . . . . . 40 ASN HA . 27406 1 296 . 1 1 40 40 ASN HB2 H 1 2.811 0.03 . 1 . . . . . 40 ASN HB2 . 27406 1 297 . 1 1 40 40 ASN HB3 H 1 3.208 0.03 . 1 . . . . . 40 ASN HB3 . 27406 1 298 . 1 1 40 40 ASN HD21 H 1 7.751 0.03 . 1 . . . . . 40 ASN HD21 . 27406 1 299 . 1 1 40 40 ASN HD22 H 1 7.227 0.03 . 1 . . . . . 40 ASN HD22 . 27406 1 300 . 1 1 40 40 ASN CA C 13 51.513 0.40 . 1 . . . . . 40 ASN CA . 27406 1 301 . 1 1 40 40 ASN CB C 13 39.144 0.40 . 1 . . . . . 40 ASN CB . 27406 1 302 . 1 1 40 40 ASN N N 15 115.447 0.40 . 1 . . . . . 40 ASN N . 27406 1 303 . 1 1 40 40 ASN ND2 N 15 112.200 0.40 . 1 . . . . . 40 ASN ND2 . 27406 1 304 . 1 1 41 41 SER H H 1 9.245 0.03 . 1 . . . . . 41 SER H . 27406 1 305 . 1 1 41 41 SER HA H 1 4.029 0.03 . 1 . . . . . 41 SER HA . 27406 1 306 . 1 1 41 41 SER HB2 H 1 4.336 0.03 . 1 . . . . . 41 SER HB2 . 27406 1 307 . 1 1 41 41 SER HB3 H 1 4.114 0.03 . 1 . . . . . 41 SER HB3 . 27406 1 308 . 1 1 41 41 SER CA C 13 55.609 0.40 . 1 . . . . . 41 SER CA . 27406 1 309 . 1 1 41 41 SER CB C 13 61.540 0.40 . 1 . . . . . 41 SER CB . 27406 1 310 . 1 1 41 41 SER N N 15 123.575 0.40 . 1 . . . . . 41 SER N . 27406 1 311 . 1 1 42 42 ASP H H 1 8.458 0.03 . 1 . . . . . 42 ASP H . 27406 1 312 . 1 1 42 42 ASP HA H 1 4.919 0.03 . 1 . . . . . 42 ASP HA . 27406 1 313 . 1 1 42 42 ASP HB2 H 1 2.677 0.03 . 1 . . . . . 42 ASP HB2 . 27406 1 314 . 1 1 42 42 ASP HB3 H 1 2.556 0.03 . 1 . . . . . 42 ASP HB3 . 27406 1 315 . 1 1 42 42 ASP CA C 13 55.641 0.40 . 1 . . . . . 42 ASP CA . 27406 1 316 . 1 1 42 42 ASP CB C 13 42.921 0.40 . 1 . . . . . 42 ASP CB . 27406 1 317 . 1 1 42 42 ASP N N 15 120.717 0.40 . 1 . . . . . 42 ASP N . 27406 1 318 . 1 1 43 43 CYS H H 1 8.431 0.03 . 1 . . . . . 43 CYS H . 27406 1 319 . 1 1 43 43 CYS HA H 1 5.083 0.03 . 1 . . . . . 43 CYS HA . 27406 1 320 . 1 1 43 43 CYS HB2 H 1 2.996 0.03 . 1 . . . . . 43 CYS HB2 . 27406 1 321 . 1 1 43 43 CYS HB3 H 1 3.564 0.03 . 1 . . . . . 43 CYS HB3 . 27406 1 322 . 1 1 43 43 CYS CA C 13 54.811 0.40 . 1 . . . . . 43 CYS CA . 27406 1 323 . 1 1 43 43 CYS CB C 13 41.373 0.40 . 1 . . . . . 43 CYS CB . 27406 1 324 . 1 1 43 43 CYS N N 15 112.680 0.40 . 1 . . . . . 43 CYS N . 27406 1 325 . 1 1 44 44 THR H H 1 7.774 0.03 . 1 . . . . . 44 THR H . 27406 1 326 . 1 1 44 44 THR HA H 1 3.794 0.03 . 1 . . . . . 44 THR HA . 27406 1 327 . 1 1 44 44 THR HB H 1 4.075 0.03 . 1 . . . . . 44 THR HB . 27406 1 328 . 1 1 44 44 THR HG21 H 1 1.336 0.03 . 1 . . . . . 44 THR MG . 27406 1 329 . 1 1 44 44 THR HG22 H 1 1.336 0.03 . 1 . . . . . 44 THR MG . 27406 1 330 . 1 1 44 44 THR HG23 H 1 1.336 0.03 . 1 . . . . . 44 THR MG . 27406 1 331 . 1 1 44 44 THR CA C 13 67.905 0.40 . 1 . . . . . 44 THR CA . 27406 1 332 . 1 1 44 44 THR CB C 13 69.024 0.40 . 1 . . . . . 44 THR CB . 27406 1 333 . 1 1 44 44 THR CG2 C 13 22.405 0.40 . 1 . . . . . 44 THR CG2 . 27406 1 334 . 1 1 44 44 THR N N 15 116.153 0.40 . 1 . . . . . 44 THR N . 27406 1 335 . 1 1 45 45 ALA H H 1 8.735 0.03 . 1 . . . . . 45 ALA H . 27406 1 336 . 1 1 45 45 ALA HA H 1 3.765 0.03 . 1 . . . . . 45 ALA HA . 27406 1 337 . 1 1 45 45 ALA HB1 H 1 1.284 0.03 . 1 . . . . . 45 ALA MB . 27406 1 338 . 1 1 45 45 ALA HB2 H 1 1.284 0.03 . 1 . . . . . 45 ALA MB . 27406 1 339 . 1 1 45 45 ALA HB3 H 1 1.284 0.03 . 1 . . . . . 45 ALA MB . 27406 1 340 . 1 1 45 45 ALA CA C 13 55.858 0.40 . 1 . . . . . 45 ALA CA . 27406 1 341 . 1 1 45 45 ALA CB C 13 17.356 0.40 . 1 . . . . . 45 ALA CB . 27406 1 342 . 1 1 45 45 ALA N N 15 124.939 0.40 . 1 . . . . . 45 ALA N . 27406 1 343 . 1 1 46 46 PHE H H 1 8.379 0.03 . 1 . . . . . 46 PHE H . 27406 1 344 . 1 1 46 46 PHE HA H 1 3.765 0.03 . 1 . . . . . 46 PHE HA . 27406 1 345 . 1 1 46 46 PHE HB2 H 1 3.011 0.03 . 1 . . . . . 46 PHE HB2 . 27406 1 346 . 1 1 46 46 PHE HB3 H 1 3.227 0.03 . 1 . . . . . 46 PHE HB3 . 27406 1 347 . 1 1 46 46 PHE CA C 13 60.611 0.40 . 1 . . . . . 46 PHE CA . 27406 1 348 . 1 1 46 46 PHE CB C 13 39.879 0.40 . 1 . . . . . 46 PHE CB . 27406 1 349 . 1 1 46 46 PHE N N 15 119.839 0.40 . 1 . . . . . 46 PHE N . 27406 1 350 . 1 1 47 47 LEU H H 1 8.732 0.03 . 1 . . . . . 47 LEU H . 27406 1 351 . 1 1 47 47 LEU HA H 1 3.731 0.03 . 1 . . . . . 47 LEU HA . 27406 1 352 . 1 1 47 47 LEU HB2 H 1 1.308 0.03 . 1 . . . . . 47 LEU HB2 . 27406 1 353 . 1 1 47 47 LEU HB3 H 1 2.123 0.03 . 1 . . . . . 47 LEU HB3 . 27406 1 354 . 1 1 47 47 LEU HG H 1 1.962 0.03 . 1 . . . . . 47 LEU HG . 27406 1 355 . 1 1 47 47 LEU HD11 H 1 0.914 0.03 . 1 . . . . . 47 LEU MD1 . 27406 1 356 . 1 1 47 47 LEU HD12 H 1 0.914 0.03 . 1 . . . . . 47 LEU MD1 . 27406 1 357 . 1 1 47 47 LEU HD13 H 1 0.914 0.03 . 1 . . . . . 47 LEU MD1 . 27406 1 358 . 1 1 47 47 LEU HD21 H 1 0.779 0.03 . 1 . . . . . 47 LEU MD2 . 27406 1 359 . 1 1 47 47 LEU HD22 H 1 0.779 0.03 . 1 . . . . . 47 LEU MD2 . 27406 1 360 . 1 1 47 47 LEU HD23 H 1 0.779 0.03 . 1 . . . . . 47 LEU MD2 . 27406 1 361 . 1 1 47 47 LEU CA C 13 58.003 0.40 . 1 . . . . . 47 LEU CA . 27406 1 362 . 1 1 47 47 LEU CB C 13 43.371 0.40 . 1 . . . . . 47 LEU CB . 27406 1 363 . 1 1 47 47 LEU CG C 13 27.513 0.40 . 1 . . . . . 47 LEU CG . 27406 1 364 . 1 1 47 47 LEU CD1 C 13 25.294 0.40 . 1 . . . . . 47 LEU CD1 . 27406 1 365 . 1 1 47 47 LEU CD2 C 13 22.678 0.40 . 1 . . . . . 47 LEU CD2 . 27406 1 366 . 1 1 47 47 LEU N N 15 118.724 0.40 . 1 . . . . . 47 LEU N . 27406 1 367 . 1 1 48 48 SER H H 1 8.377 0.03 . 1 . . . . . 48 SER H . 27406 1 368 . 1 1 48 48 SER HA H 1 4.377 0.03 . 1 . . . . . 48 SER HA . 27406 1 369 . 1 1 48 48 SER HB2 H 1 3.922 0.03 . 2 . . . . . 48 SER HB . 27406 1 370 . 1 1 48 48 SER HB3 H 1 3.922 0.03 . 2 . . . . . 48 SER HB . 27406 1 371 . 1 1 48 48 SER CA C 13 61.487 0.40 . 1 . . . . . 48 SER CA . 27406 1 372 . 1 1 48 48 SER CB C 13 63.276 0.40 . 1 . . . . . 48 SER CB . 27406 1 373 . 1 1 48 48 SER N N 15 115.282 0.40 . 1 . . . . . 48 SER N . 27406 1 374 . 1 1 49 49 GLN H H 1 8.587 0.03 . 1 . . . . . 49 GLN H . 27406 1 375 . 1 1 49 49 GLN HA H 1 4.103 0.03 . 1 . . . . . 49 GLN HA . 27406 1 376 . 1 1 49 49 GLN HB2 H 1 1.993 0.03 . 1 . . . . . 49 GLN HB2 . 27406 1 377 . 1 1 49 49 GLN HB3 H 1 2.093 0.03 . 1 . . . . . 49 GLN HB3 . 27406 1 378 . 1 1 49 49 GLN HG2 H 1 2.282 0.03 . 1 . . . . . 49 GLN HG2 . 27406 1 379 . 1 1 49 49 GLN HG3 H 1 2.415 0.03 . 1 . . . . . 49 GLN HG3 . 27406 1 380 . 1 1 49 49 GLN HE21 H 1 7.133 0.03 . 1 . . . . . 49 GLN HE21 . 27406 1 381 . 1 1 49 49 GLN HE22 H 1 6.738 0.03 . 1 . . . . . 49 GLN HE22 . 27406 1 382 . 1 1 49 49 GLN CA C 13 58.477 0.40 . 1 . . . . . 49 GLN CA . 27406 1 383 . 1 1 49 49 GLN CB C 13 29.233 0.40 . 1 . . . . . 49 GLN CB . 27406 1 384 . 1 1 49 49 GLN CG C 13 34.440 0.40 . 1 . . . . . 49 GLN CG . 27406 1 385 . 1 1 49 49 GLN N N 15 118.643 0.40 . 1 . . . . . 49 GLN N . 27406 1 386 . 1 1 49 49 GLN NE2 N 15 110.831 0.40 . 1 . . . . . 49 GLN NE2 . 27406 1 387 . 1 1 50 50 CYS H H 1 8.149 0.03 . 1 . . . . . 50 CYS H . 27406 1 388 . 1 1 50 50 CYS HA H 1 4.506 0.03 . 1 . . . . . 50 CYS HA . 27406 1 389 . 1 1 50 50 CYS HB2 H 1 2.051 0.03 . 1 . . . . . 50 CYS HB2 . 27406 1 390 . 1 1 50 50 CYS HB3 H 1 2.372 0.03 . 1 . . . . . 50 CYS HB3 . 27406 1 391 . 1 1 50 50 CYS CA C 13 54.590 0.40 . 1 . . . . . 50 CYS CA . 27406 1 392 . 1 1 50 50 CYS CB C 13 38.044 0.40 . 1 . . . . . 50 CYS CB . 27406 1 393 . 1 1 50 50 CYS N N 15 113.585 0.40 . 1 . . . . . 50 CYS N . 27406 1 394 . 1 1 51 51 TYR H H 1 6.983 0.03 . 1 . . . . . 51 TYR H . 27406 1 395 . 1 1 51 51 TYR HA H 1 4.396 0.03 . 1 . . . . . 51 TYR HA . 27406 1 396 . 1 1 51 51 TYR HB2 H 1 2.443 0.03 . 1 . . . . . 51 TYR HB2 . 27406 1 397 . 1 1 51 51 TYR HB3 H 1 3.023 0.03 . 1 . . . . . 51 TYR HB3 . 27406 1 398 . 1 1 51 51 TYR CA C 13 58.738 0.40 . 1 . . . . . 51 TYR CA . 27406 1 399 . 1 1 51 51 TYR CB C 13 40.405 0.40 . 1 . . . . . 51 TYR CB . 27406 1 400 . 1 1 51 51 TYR N N 15 116.235 0.40 . 1 . . . . . 51 TYR N . 27406 1 401 . 1 1 52 52 GLY H H 1 7.569 0.03 . 1 . . . . . 52 GLY H . 27406 1 402 . 1 1 52 52 GLY HA2 H 1 3.962 0.03 . 2 . . . . . 52 GLY HA2 . 27406 1 403 . 1 1 52 52 GLY HA3 H 1 3.962 0.03 . 2 . . . . . 52 GLY HA3 . 27406 1 404 . 1 1 52 52 GLY CA C 13 46.473 0.40 . 1 . . . . . 52 GLY CA . 27406 1 405 . 1 1 52 52 GLY N N 15 109.370 0.40 . 1 . . . . . 52 GLY N . 27406 1 406 . 1 1 53 53 GLY H H 1 7.897 0.03 . 1 . . . . . 53 GLY H . 27406 1 407 . 1 1 53 53 GLY HA2 H 1 4.121 0.03 . 1 . . . . . 53 GLY HA2 . 27406 1 408 . 1 1 53 53 GLY HA3 H 1 3.789 0.03 . 1 . . . . . 53 GLY HA3 . 27406 1 409 . 1 1 53 53 GLY CA C 13 44.773 0.40 . 1 . . . . . 53 GLY CA . 27406 1 410 . 1 1 53 53 GLY N N 15 106.730 0.40 . 1 . . . . . 53 GLY N . 27406 1 411 . 1 1 54 54 CYS H H 1 8.040 0.03 . 1 . . . . . 54 CYS H . 27406 1 412 . 1 1 54 54 CYS HA H 1 4.354 0.03 . 1 . . . . . 54 CYS HA . 27406 1 413 . 1 1 54 54 CYS HB2 H 1 3.345 0.03 . 1 . . . . . 54 CYS HB2 . 27406 1 414 . 1 1 54 54 CYS HB3 H 1 3.010 0.03 . 1 . . . . . 54 CYS HB3 . 27406 1 415 . 1 1 54 54 CYS CA C 13 55.651 0.40 . 1 . . . . . 54 CYS CA . 27406 1 416 . 1 1 54 54 CYS CB C 13 37.853 0.40 . 1 . . . . . 54 CYS CB . 27406 1 417 . 1 1 54 54 CYS N N 15 116.146 0.40 . 1 . . . . . 54 CYS N . 27406 1 stop_ save_