data_25864 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25864 _Entry.Title ; Solution Structure of the rNedd4 WW1 Domain by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-27 _Entry.Accession_date 2015-10-27 _Entry.Last_release_date 2016-02-22 _Entry.Original_release_date 2016-02-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Gaelle Spagnol . . . . 25864 2 Fabien Kieken . . . . 25864 3 Paul Sorgen . L. . . 25864 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25864 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'rNedd4 WW1' . 25864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 128 25864 '15N chemical shifts' 36 25864 '1H chemical shifts' 244 25864 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 . . 2016-07-08 2015-10-27 update BMRB 'update entry citation' 25864 1 . . 2016-02-22 2015-10-27 original author 'original release' 25864 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25865 'rNedd4 WW2 Domain-Cx43CT Peptide Complex' 25864 BMRB 25866 'rNedd4 WW2 Domain' 25864 BMRB 26698 'rNedd4 WW3 Domain' 25864 PDB 2N8S 'BMRB Entry Tracking System' 25864 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 25864 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26841867 _Citation.Full_citation . _Citation.Title ; Structural Studies of the Nedd4 WW Domains and their Selectivity for the Cx43 Carboxyl-terminus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 14 _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 7637 _Citation.Page_last 7650 _Citation.Year 2016 _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 Gaelle Spagnol . . . . 25864 1 2 Fabien Kieken . . . . 25864 1 3 Jennifer Kopanic . L. . . 25864 1 4 Hanjun Li . . . . 25864 1 5 Sydney Zach . . . . 25864 1 6 Kelly Stauch . L. . . 25864 1 7 Rosslyn Grosely . . . . 25864 1 8 Paul Sorgen . L. . . 25864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25864 _Assembly.ID 1 _Assembly.Name 'rNedd4 WW1 Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'rNedd4 WW1 Domain' 1 $Nedd4_WW1 A . yes native no no . . . 25864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nedd4_WW1 _Entity.Sf_category entity _Entity.Sf_framecode Nedd4_WW1 _Entity.Entry_ID 25864 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nedd4_WW1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPSPLPPGWEERQDVLGRT YYVNHESRTTQWKRPSPED ; _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment WW1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4559.967 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25864 1 2 . SER . 25864 1 3 . PRO . 25864 1 4 . SER . 25864 1 5 . PRO . 25864 1 6 . LEU . 25864 1 7 . PRO . 25864 1 8 . PRO . 25864 1 9 . GLY . 25864 1 10 . TRP . 25864 1 11 . GLU . 25864 1 12 . GLU . 25864 1 13 . ARG . 25864 1 14 . GLN . 25864 1 15 . ASP . 25864 1 16 . VAL . 25864 1 17 . LEU . 25864 1 18 . GLY . 25864 1 19 . ARG . 25864 1 20 . THR . 25864 1 21 . TYR . 25864 1 22 . TYR . 25864 1 23 . VAL . 25864 1 24 . ASN . 25864 1 25 . HIS . 25864 1 26 . GLU . 25864 1 27 . SER . 25864 1 28 . ARG . 25864 1 29 . THR . 25864 1 30 . THR . 25864 1 31 . GLN . 25864 1 32 . TRP . 25864 1 33 . LYS . 25864 1 34 . ARG . 25864 1 35 . PRO . 25864 1 36 . SER . 25864 1 37 . PRO . 25864 1 38 . GLU . 25864 1 39 . ASP . 25864 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 25864 1 . SER 2 2 25864 1 . PRO 3 3 25864 1 . SER 4 4 25864 1 . PRO 5 5 25864 1 . LEU 6 6 25864 1 . PRO 7 7 25864 1 . PRO 8 8 25864 1 . GLY 9 9 25864 1 . TRP 10 10 25864 1 . GLU 11 11 25864 1 . GLU 12 12 25864 1 . ARG 13 13 25864 1 . GLN 14 14 25864 1 . ASP 15 15 25864 1 . VAL 16 16 25864 1 . LEU 17 17 25864 1 . GLY 18 18 25864 1 . ARG 19 19 25864 1 . THR 20 20 25864 1 . TYR 21 21 25864 1 . TYR 22 22 25864 1 . VAL 23 23 25864 1 . ASN 24 24 25864 1 . HIS 25 25 25864 1 . GLU 26 26 25864 1 . SER 27 27 25864 1 . ARG 28 28 25864 1 . THR 29 29 25864 1 . THR 30 30 25864 1 . GLN 31 31 25864 1 . TRP 32 32 25864 1 . LYS 33 33 25864 1 . ARG 34 34 25864 1 . PRO 35 35 25864 1 . SER 36 36 25864 1 . PRO 37 37 25864 1 . GLU 38 38 25864 1 . ASP 39 39 25864 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 25864 _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 $Nedd4_WW1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 25864 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 25864 _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 $Nedd4_WW1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-KT . . . 25864 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25864 _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 'Nedd4 WW1' '[U-98% 13C; U-98% 15N]' . . 1 $Nedd4_WW1 . . 1 . . mM . . . . 25864 1 2 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 25864 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25864 1 4 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 25864 1 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25864 1 6 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25864 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 25864 _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' 156 . mM 25864 1 pH 7.5 . pH 25864 1 pressure 1 . atm 25864 1 temperature 298 . K 25864 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25864 _Software.ID 1 _Software.Name ARIA _Software.Version 1.1 _Software.Details 'ARIA 1.1 is using CNS 1.1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 25864 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25864 1 refinement 25864 1 'structure solution' 25864 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25864 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 25864 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25864 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25864 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25864 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25864 3 'data analysis' 25864 3 'peak picking' 25864 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25864 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 25864 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25864 4 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 25864 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25864 _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 Varian INOVA . 600 Cryoprobe . . 25864 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 25864 _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 . . . . . . . . . . . . . . . . 25864 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25864 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 25864 _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 water protons . . . . ppm 46 internal indirect 0.251449530 . . . . . 25864 1 H 1 water protons . . . . ppm 4.758 internal direct 1.0 . . . . . 25864 1 N 15 water protons . . . . ppm 120 internal indirect 0.101329118 . . . . . 25864 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 25864 _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' . . . 25864 1 2 '2D 1H-13C HSQC aliphatic' . . . 25864 1 4 '3D HNCACB' . . . 25864 1 5 '3D CBCA(CO)NH' . . . 25864 1 6 '3D 1H-15N NOESY' . . . 25864 1 7 '3D 1H-13C NOESY aliphatic' . . . 25864 1 8 '3D 1H-13C NOESY aromatic' . . . 25864 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER H H 1 8.4830 0.05 . 1 . . . A 4 SER H . 25864 1 2 . 1 1 4 4 SER HA H 1 4.7580 0.05 . 1 . . . A 4 SER HA . 25864 1 3 . 1 1 4 4 SER HB2 H 1 3.8600 0.05 . 2 . . . A 4 SER HB2 . 25864 1 4 . 1 1 4 4 SER HB3 H 1 3.7700 0.05 . 2 . . . A 4 SER HB3 . 25864 1 5 . 1 1 4 4 SER CA C 13 56.5700 0.3 . 1 . . . A 4 SER CA . 25864 1 6 . 1 1 4 4 SER CB C 13 62.7300 0.3 . 1 . . . A 4 SER CB . 25864 1 7 . 1 1 4 4 SER N N 15 119.6000 0.3 . 1 . . . A 4 SER N . 25864 1 8 . 1 1 5 5 PRO HA H 1 4.4000 0.05 . 1 . . . A 5 PRO HA . 25864 1 9 . 1 1 5 5 PRO HB2 H 1 2.2800 0.05 . 2 . . . A 5 PRO HB2 . 25864 1 10 . 1 1 5 5 PRO HB3 H 1 1.8600 0.05 . 2 . . . A 5 PRO HB3 . 25864 1 11 . 1 1 5 5 PRO HG2 H 1 2.0000 0.05 . 2 . . . A 5 PRO HG2 . 25864 1 12 . 1 1 5 5 PRO HG3 H 1 2.0000 0.05 . 2 . . . A 5 PRO HG3 . 25864 1 13 . 1 1 5 5 PRO CA C 13 62.9000 0.3 . 1 . . . A 5 PRO CA . 25864 1 14 . 1 1 5 5 PRO CB C 13 32.1600 0.3 . 1 . . . A 5 PRO CB . 25864 1 15 . 1 1 5 5 PRO CG C 13 27.6000 0.3 . 1 . . . A 5 PRO CG . 25864 1 16 . 1 1 6 6 LEU H H 1 8.5620 0.05 . 1 . . . A 6 LEU H . 25864 1 17 . 1 1 6 6 LEU HA H 1 4.3400 0.05 . 1 . . . A 6 LEU HA . 25864 1 18 . 1 1 6 6 LEU HB2 H 1 1.7340 0.05 . 2 . . . A 6 LEU HB2 . 25864 1 19 . 1 1 6 6 LEU HB3 H 1 1.3850 0.05 . 2 . . . A 6 LEU HB3 . 25864 1 20 . 1 1 6 6 LEU HG H 1 1.8200 0.05 . 1 . . . A 6 LEU HG . 25864 1 21 . 1 1 6 6 LEU HD11 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD11 . 25864 1 22 . 1 1 6 6 LEU HD12 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD12 . 25864 1 23 . 1 1 6 6 LEU HD13 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD13 . 25864 1 24 . 1 1 6 6 LEU HD21 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD21 . 25864 1 25 . 1 1 6 6 LEU HD22 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD22 . 25864 1 26 . 1 1 6 6 LEU HD23 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD23 . 25864 1 27 . 1 1 6 6 LEU CA C 13 52.6600 0.3 . 1 . . . A 6 LEU CA . 25864 1 28 . 1 1 6 6 LEU CB C 13 41.6550 0.3 . 1 . . . A 6 LEU CB . 25864 1 29 . 1 1 6 6 LEU CG C 13 26.8000 0.3 . 1 . . . A 6 LEU CG . 25864 1 30 . 1 1 6 6 LEU CD1 C 13 26.4400 0.3 . 1 . . . A 6 LEU CD1 . 25864 1 31 . 1 1 6 6 LEU CD2 C 13 24.0000 0.3 . 1 . . . A 6 LEU CD2 . 25864 1 32 . 1 1 6 6 LEU N N 15 124.4960 0.3 . 1 . . . A 6 LEU N . 25864 1 33 . 1 1 7 7 PRO HA H 1 4.8080 0.05 . 1 . . . A 7 PRO HA . 25864 1 34 . 1 1 7 7 PRO HB2 H 1 2.4930 0.05 . 2 . . . A 7 PRO HB2 . 25864 1 35 . 1 1 7 7 PRO HB3 H 1 2.0040 0.05 . 2 . . . A 7 PRO HB3 . 25864 1 36 . 1 1 7 7 PRO HG2 H 1 1.6500 0.05 . 2 . . . A 7 PRO HG2 . 25864 1 37 . 1 1 7 7 PRO HG3 H 1 1.6300 0.05 . 2 . . . A 7 PRO HG3 . 25864 1 38 . 1 1 7 7 PRO HD2 H 1 3.5100 0.05 . 2 . . . A 7 PRO HD2 . 25864 1 39 . 1 1 7 7 PRO HD3 H 1 2.9200 0.05 . 2 . . . A 7 PRO HD3 . 25864 1 40 . 1 1 7 7 PRO CA C 13 61.2000 0.3 . 1 . . . A 7 PRO CA . 25864 1 41 . 1 1 7 7 PRO CB C 13 30.1000 0.3 . 1 . . . A 7 PRO CB . 25864 1 42 . 1 1 7 7 PRO CG C 13 27.6000 0.3 . 1 . . . A 7 PRO CG . 25864 1 43 . 1 1 7 7 PRO CD C 13 50.1000 0.3 . 1 . . . A 7 PRO CD . 25864 1 44 . 1 1 8 8 PRO HA H 1 4.3970 0.05 . 1 . . . A 8 PRO HA . 25864 1 45 . 1 1 8 8 PRO HB2 H 1 2.3100 0.05 . 2 . . . A 8 PRO HB2 . 25864 1 46 . 1 1 8 8 PRO HB3 H 1 1.9000 0.05 . 2 . . . A 8 PRO HB3 . 25864 1 47 . 1 1 8 8 PRO HG2 H 1 2.1100 0.05 . 2 . . . A 8 PRO HG2 . 25864 1 48 . 1 1 8 8 PRO HG3 H 1 1.9900 0.05 . 2 . . . A 8 PRO HG3 . 25864 1 49 . 1 1 8 8 PRO HD2 H 1 3.8500 0.05 . 2 . . . A 8 PRO HD2 . 25864 1 50 . 1 1 8 8 PRO HD3 H 1 3.6300 0.05 . 2 . . . A 8 PRO HD3 . 25864 1 51 . 1 1 8 8 PRO CA C 13 64.0200 0.3 . 1 . . . A 8 PRO CA . 25864 1 52 . 1 1 8 8 PRO CB C 13 32.0300 0.3 . 1 . . . A 8 PRO CB . 25864 1 53 . 1 1 8 8 PRO CG C 13 26.7000 0.3 . 1 . . . A 8 PRO CG . 25864 1 54 . 1 1 8 8 PRO CD C 13 50.6000 0.3 . 1 . . . A 8 PRO CD . 25864 1 55 . 1 1 9 9 GLY H H 1 8.7230 0.05 . 1 . . . A 9 GLY H . 25864 1 56 . 1 1 9 9 GLY HA2 H 1 4.1830 0.05 . 2 . . . A 9 GLY HA2 . 25864 1 57 . 1 1 9 9 GLY HA3 H 1 3.5990 0.05 . 2 . . . A 9 GLY HA3 . 25864 1 58 . 1 1 9 9 GLY CA C 13 45.0000 0.3 . 1 . . . A 9 GLY CA . 25864 1 59 . 1 1 9 9 GLY N N 15 112.1600 0.3 . 1 . . . A 9 GLY N . 25864 1 60 . 1 1 10 10 TRP H H 1 7.4030 0.05 . 1 . . . A 10 TRP H . 25864 1 61 . 1 1 10 10 TRP HA H 1 5.2900 0.05 . 1 . . . A 10 TRP HA . 25864 1 62 . 1 1 10 10 TRP HB2 H 1 3.1400 0.05 . 2 . . . A 10 TRP HB2 . 25864 1 63 . 1 1 10 10 TRP HB3 H 1 2.9440 0.05 . 2 . . . A 10 TRP HB3 . 25864 1 64 . 1 1 10 10 TRP HD1 H 1 7.0000 0.05 . 1 . . . A 10 TRP HD1 . 25864 1 65 . 1 1 10 10 TRP HE1 H 1 10.5700 0.05 . 1 . . . A 10 TRP HE1 . 25864 1 66 . 1 1 10 10 TRP HE3 H 1 7.3200 0.05 . 1 . . . A 10 TRP HE3 . 25864 1 67 . 1 1 10 10 TRP HZ2 H 1 7.4590 0.05 . 1 . . . A 10 TRP HZ2 . 25864 1 68 . 1 1 10 10 TRP HZ3 H 1 6.7700 0.05 . 1 . . . A 10 TRP HZ3 . 25864 1 69 . 1 1 10 10 TRP HH2 H 1 6.9720 0.05 . 1 . . . A 10 TRP HH2 . 25864 1 70 . 1 1 10 10 TRP CA C 13 56.4000 0.3 . 1 . . . A 10 TRP CA . 25864 1 71 . 1 1 10 10 TRP CB C 13 32.5000 0.3 . 1 . . . A 10 TRP CB . 25864 1 72 . 1 1 10 10 TRP CD1 C 13 124.2000 0.3 . 1 . . . A 10 TRP CD1 . 25864 1 73 . 1 1 10 10 TRP CE3 C 13 116.6000 0.3 . 1 . . . A 10 TRP CE3 . 25864 1 74 . 1 1 10 10 TRP CZ2 C 13 111.4000 0.3 . 1 . . . A 10 TRP CZ2 . 25864 1 75 . 1 1 10 10 TRP CZ3 C 13 118.6000 0.3 . 1 . . . A 10 TRP CZ3 . 25864 1 76 . 1 1 10 10 TRP CH2 C 13 121.2000 0.3 . 1 . . . A 10 TRP CH2 . 25864 1 77 . 1 1 10 10 TRP N N 15 119.1030 0.3 . 1 . . . A 10 TRP N . 25864 1 78 . 1 1 10 10 TRP NE1 N 15 130.8930 0.3 . 1 . . . A 10 TRP NE1 . 25864 1 79 . 1 1 11 11 GLU H H 1 9.2940 0.05 . 1 . . . A 11 GLU H . 25864 1 80 . 1 1 11 11 GLU HA H 1 4.7280 0.05 . 1 . . . A 11 GLU HA . 25864 1 81 . 1 1 11 11 GLU HB2 H 1 2.0000 0.05 . 2 . . . A 11 GLU HB2 . 25864 1 82 . 1 1 11 11 GLU HB3 H 1 1.9000 0.05 . 2 . . . A 11 GLU HB3 . 25864 1 83 . 1 1 11 11 GLU HG2 H 1 2.2300 0.05 . 2 . . . A 11 GLU HG2 . 25864 1 84 . 1 1 11 11 GLU HG3 H 1 2.2200 0.05 . 2 . . . A 11 GLU HG3 . 25864 1 85 . 1 1 11 11 GLU CA C 13 54.9100 0.3 . 1 . . . A 11 GLU CA . 25864 1 86 . 1 1 11 11 GLU CB C 13 34.4000 0.3 . 1 . . . A 11 GLU CB . 25864 1 87 . 1 1 11 11 GLU CG C 13 36.6700 0.3 . 1 . . . A 11 GLU CG . 25864 1 88 . 1 1 11 11 GLU N N 15 121.8750 0.3 . 1 . . . A 11 GLU N . 25864 1 89 . 1 1 12 12 GLU H H 1 8.7530 0.05 . 1 . . . A 12 GLU H . 25864 1 90 . 1 1 12 12 GLU HA H 1 4.4920 0.05 . 1 . . . A 12 GLU HA . 25864 1 91 . 1 1 12 12 GLU HB2 H 1 1.9230 0.05 . 2 . . . A 12 GLU HB2 . 25864 1 92 . 1 1 12 12 GLU HB3 H 1 1.9100 0.05 . 2 . . . A 12 GLU HB3 . 25864 1 93 . 1 1 12 12 GLU HG2 H 1 1.9200 0.05 . 2 . . . A 12 GLU HG2 . 25864 1 94 . 1 1 12 12 GLU HG3 H 1 1.9000 0.05 . 2 . . . A 12 GLU HG3 . 25864 1 95 . 1 1 12 12 GLU CA C 13 55.2000 0.3 . 1 . . . A 12 GLU CA . 25864 1 96 . 1 1 12 12 GLU CB C 13 32.1000 0.3 . 1 . . . A 12 GLU CB . 25864 1 97 . 1 1 12 12 GLU CG C 13 36.6700 0.3 . 1 . . . A 12 GLU CG . 25864 1 98 . 1 1 12 12 GLU N N 15 126.0470 0.3 . 1 . . . A 12 GLU N . 25864 1 99 . 1 1 13 13 ARG H H 1 8.5210 0.05 . 1 . . . A 13 ARG H . 25864 1 100 . 1 1 13 13 ARG HA H 1 4.3980 0.05 . 1 . . . A 13 ARG HA . 25864 1 101 . 1 1 13 13 ARG HB2 H 1 1.2860 0.05 . 2 . . . A 13 ARG HB2 . 25864 1 102 . 1 1 13 13 ARG HB3 H 1 0.0440 0.05 . 2 . . . A 13 ARG HB3 . 25864 1 103 . 1 1 13 13 ARG HG2 H 1 1.2370 0.05 . 2 . . . A 13 ARG HG2 . 25864 1 104 . 1 1 13 13 ARG HG3 H 1 1.1300 0.05 . 2 . . . A 13 ARG HG3 . 25864 1 105 . 1 1 13 13 ARG HD2 H 1 3.1000 0.05 . 2 . . . A 13 ARG HD2 . 25864 1 106 . 1 1 13 13 ARG HD3 H 1 2.9400 0.05 . 2 . . . A 13 ARG HD3 . 25864 1 107 . 1 1 13 13 ARG CA C 13 53.7000 0.3 . 1 . . . A 13 ARG CA . 25864 1 108 . 1 1 13 13 ARG CB C 13 34.4500 0.3 . 1 . . . A 13 ARG CB . 25864 1 109 . 1 1 13 13 ARG CG C 13 27.2000 0.3 . 1 . . . A 13 ARG CG . 25864 1 110 . 1 1 13 13 ARG CD C 13 43.2000 0.3 . 1 . . . A 13 ARG CD . 25864 1 111 . 1 1 13 13 ARG N N 15 127.2390 0.3 . 1 . . . A 13 ARG N . 25864 1 112 . 1 1 14 14 GLN H H 1 7.9170 0.05 . 1 . . . A 14 GLN H . 25864 1 113 . 1 1 14 14 GLN HA H 1 5.3880 0.05 . 1 . . . A 14 GLN HA . 25864 1 114 . 1 1 14 14 GLN HB2 H 1 1.9020 0.05 . 2 . . . A 14 GLN HB2 . 25864 1 115 . 1 1 14 14 GLN HB3 H 1 1.8070 0.05 . 2 . . . A 14 GLN HB3 . 25864 1 116 . 1 1 14 14 GLN HG2 H 1 2.2500 0.05 . 2 . . . A 14 GLN HG2 . 25864 1 117 . 1 1 14 14 GLN HG3 H 1 2.1170 0.05 . 2 . . . A 14 GLN HG3 . 25864 1 118 . 1 1 14 14 GLN HE21 H 1 7.3800 0.05 . 2 . . . A 14 GLN HE21 . 25864 1 119 . 1 1 14 14 GLN HE22 H 1 6.8100 0.05 . 2 . . . A 14 GLN HE22 . 25864 1 120 . 1 1 14 14 GLN CA C 13 54.5000 0.3 . 1 . . . A 14 GLN CA . 25864 1 121 . 1 1 14 14 GLN CB C 13 32.5000 0.3 . 1 . . . A 14 GLN CB . 25864 1 122 . 1 1 14 14 GLN CG C 13 34.6300 0.3 . 1 . . . A 14 GLN CG . 25864 1 123 . 1 1 14 14 GLN N N 15 116.9200 0.3 . 1 . . . A 14 GLN N . 25864 1 124 . 1 1 14 14 GLN NE2 N 15 113.4000 0.3 . 1 . . . A 14 GLN NE2 . 25864 1 125 . 1 1 15 15 ASP H H 1 9.0400 0.05 . 1 . . . A 15 ASP H . 25864 1 126 . 1 1 15 15 ASP HA H 1 4.9240 0.05 . 1 . . . A 15 ASP HA . 25864 1 127 . 1 1 15 15 ASP HB2 H 1 3.5200 0.05 . 2 . . . A 15 ASP HB2 . 25864 1 128 . 1 1 15 15 ASP HB3 H 1 2.7750 0.05 . 2 . . . A 15 ASP HB3 . 25864 1 129 . 1 1 15 15 ASP CA C 13 52.2000 0.3 . 1 . . . A 15 ASP CA . 25864 1 130 . 1 1 15 15 ASP CB C 13 41.6000 0.3 . 1 . . . A 15 ASP CB . 25864 1 131 . 1 1 15 15 ASP N N 15 124.7570 0.3 . 1 . . . A 15 ASP N . 25864 1 132 . 1 1 16 16 VAL H H 1 8.0600 0.05 . 1 . . . A 16 VAL H . 25864 1 133 . 1 1 16 16 VAL HA H 1 4.0600 0.05 . 1 . . . A 16 VAL HA . 25864 1 134 . 1 1 16 16 VAL HB H 1 2.2900 0.05 . 1 . . . A 16 VAL HB . 25864 1 135 . 1 1 16 16 VAL HG11 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG11 . 25864 1 136 . 1 1 16 16 VAL HG12 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG12 . 25864 1 137 . 1 1 16 16 VAL HG13 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG13 . 25864 1 138 . 1 1 16 16 VAL HG21 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG21 . 25864 1 139 . 1 1 16 16 VAL HG22 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG22 . 25864 1 140 . 1 1 16 16 VAL HG23 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG23 . 25864 1 141 . 1 1 16 16 VAL CA C 13 64.4000 0.3 . 1 . . . A 16 VAL CA . 25864 1 142 . 1 1 16 16 VAL CB C 13 31.7000 0.3 . 1 . . . A 16 VAL CB . 25864 1 143 . 1 1 16 16 VAL CG1 C 13 20.7000 0.3 . 1 . . . A 16 VAL CG1 . 25864 1 144 . 1 1 16 16 VAL CG2 C 13 31.7000 0.3 . 1 . . . A 16 VAL CG2 . 25864 1 145 . 1 1 16 16 VAL N N 15 116.2000 0.3 . 1 . . . A 16 VAL N . 25864 1 146 . 1 1 17 17 LEU H H 1 7.8360 0.05 . 1 . . . A 17 LEU H . 25864 1 147 . 1 1 17 17 LEU HA H 1 4.4600 0.05 . 1 . . . A 17 LEU HA . 25864 1 148 . 1 1 17 17 LEU HB2 H 1 1.8650 0.05 . 2 . . . A 17 LEU HB2 . 25864 1 149 . 1 1 17 17 LEU HB3 H 1 1.7000 0.05 . 2 . . . A 17 LEU HB3 . 25864 1 150 . 1 1 17 17 LEU HG H 1 1.5750 0.05 . 1 . . . A 17 LEU HG . 25864 1 151 . 1 1 17 17 LEU HD11 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD11 . 25864 1 152 . 1 1 17 17 LEU HD12 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD12 . 25864 1 153 . 1 1 17 17 LEU HD13 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD13 . 25864 1 154 . 1 1 17 17 LEU HD21 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD21 . 25864 1 155 . 1 1 17 17 LEU HD22 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD22 . 25864 1 156 . 1 1 17 17 LEU HD23 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD23 . 25864 1 157 . 1 1 17 17 LEU CA C 13 54.5000 0.3 . 1 . . . A 17 LEU CA . 25864 1 158 . 1 1 17 17 LEU CB C 13 42.0000 0.3 . 1 . . . A 17 LEU CB . 25864 1 159 . 1 1 17 17 LEU CG C 13 27.2000 0.3 . 1 . . . A 17 LEU CG . 25864 1 160 . 1 1 17 17 LEU CD1 C 13 24.8000 0.3 . 1 . . . A 17 LEU CD1 . 25864 1 161 . 1 1 17 17 LEU CD2 C 13 22.7500 0.3 . 1 . . . A 17 LEU CD2 . 25864 1 162 . 1 1 17 17 LEU N N 15 122.2000 0.3 . 1 . . . A 17 LEU N . 25864 1 163 . 1 1 18 18 GLY H H 1 8.3000 0.05 . 1 . . . A 18 GLY H . 25864 1 164 . 1 1 18 18 GLY HA2 H 1 4.2150 0.05 . 2 . . . A 18 GLY HA2 . 25864 1 165 . 1 1 18 18 GLY HA3 H 1 3.6680 0.05 . 2 . . . A 18 GLY HA3 . 25864 1 166 . 1 1 18 18 GLY CA C 13 45.4000 0.3 . 1 . . . A 18 GLY CA . 25864 1 167 . 1 1 18 18 GLY N N 15 110.1150 0.3 . 1 . . . A 18 GLY N . 25864 1 168 . 1 1 19 19 ARG H H 1 8.7650 0.05 . 1 . . . A 19 ARG H . 25864 1 169 . 1 1 19 19 ARG HA H 1 4.4800 0.05 . 1 . . . A 19 ARG HA . 25864 1 170 . 1 1 19 19 ARG HB2 H 1 2.2600 0.05 . 2 . . . A 19 ARG HB2 . 25864 1 171 . 1 1 19 19 ARG HB3 H 1 1.9500 0.05 . 2 . . . A 19 ARG HB3 . 25864 1 172 . 1 1 19 19 ARG HG2 H 1 1.6600 0.05 . 2 . . . A 19 ARG HG2 . 25864 1 173 . 1 1 19 19 ARG HG3 H 1 1.6500 0.05 . 2 . . . A 19 ARG HG3 . 25864 1 174 . 1 1 19 19 ARG HD2 H 1 3.1260 0.05 . 2 . . . A 19 ARG HD2 . 25864 1 175 . 1 1 19 19 ARG HD3 H 1 2.8800 0.05 . 2 . . . A 19 ARG HD3 . 25864 1 176 . 1 1 19 19 ARG CA C 13 56.1000 0.3 . 1 . . . A 19 ARG CA . 25864 1 177 . 1 1 19 19 ARG CB C 13 31.0000 0.3 . 1 . . . A 19 ARG CB . 25864 1 178 . 1 1 19 19 ARG CG C 13 26.8500 0.3 . 1 . . . A 19 ARG CG . 25864 1 179 . 1 1 19 19 ARG CD C 13 43.6000 0.3 . 1 . . . A 19 ARG CD . 25864 1 180 . 1 1 19 19 ARG N N 15 124.1760 0.3 . 1 . . . A 19 ARG N . 25864 1 181 . 1 1 20 20 THR H H 1 8.6750 0.05 . 1 . . . A 20 THR H . 25864 1 182 . 1 1 20 20 THR HA H 1 4.9230 0.05 . 1 . . . A 20 THR HA . 25864 1 183 . 1 1 20 20 THR HB H 1 3.9660 0.05 . 1 . . . A 20 THR HB . 25864 1 184 . 1 1 20 20 THR HG21 H 1 0.9800 0.05 . 1 . . . A 20 THR HG21 . 25864 1 185 . 1 1 20 20 THR HG22 H 1 0.9800 0.05 . 1 . . . A 20 THR HG22 . 25864 1 186 . 1 1 20 20 THR HG23 H 1 0.9800 0.05 . 1 . . . A 20 THR HG23 . 25864 1 187 . 1 1 20 20 THR CA C 13 63.3000 0.3 . 1 . . . A 20 THR CA . 25864 1 188 . 1 1 20 20 THR CB C 13 70.1000 0.3 . 1 . . . A 20 THR CB . 25864 1 189 . 1 1 20 20 THR CG2 C 13 21.9000 0.3 . 1 . . . A 20 THR CG2 . 25864 1 190 . 1 1 20 20 THR N N 15 122.8840 0.3 . 1 . . . A 20 THR N . 25864 1 191 . 1 1 21 21 TYR H H 1 8.7730 0.05 . 1 . . . A 21 TYR H . 25864 1 192 . 1 1 21 21 TYR HA H 1 4.6000 0.05 . 1 . . . A 21 TYR HA . 25864 1 193 . 1 1 21 21 TYR HB2 H 1 2.2770 0.05 . 2 . . . A 21 TYR HB2 . 25864 1 194 . 1 1 21 21 TYR HB3 H 1 2.1530 0.05 . 2 . . . A 21 TYR HB3 . 25864 1 195 . 1 1 21 21 TYR HD1 H 1 6.6900 0.05 . 3 . . . A 21 TYR HD1 . 25864 1 196 . 1 1 21 21 TYR HD2 H 1 6.6900 0.05 . 3 . . . A 21 TYR HD2 . 25864 1 197 . 1 1 21 21 TYR HE1 H 1 6.2800 0.05 . 3 . . . A 21 TYR HE1 . 25864 1 198 . 1 1 21 21 TYR HE2 H 1 6.2800 0.05 . 3 . . . A 21 TYR HE2 . 25864 1 199 . 1 1 21 21 TYR CA C 13 55.3000 0.3 . 1 . . . A 21 TYR CA . 25864 1 200 . 1 1 21 21 TYR CB C 13 38.9900 0.3 . 1 . . . A 21 TYR CB . 25864 1 201 . 1 1 21 21 TYR CD1 C 13 130.4000 0.3 . 3 . . . A 21 TYR CD1 . 25864 1 202 . 1 1 21 21 TYR CD2 C 13 130.4000 0.3 . 3 . . . A 21 TYR CD2 . 25864 1 203 . 1 1 21 21 TYR CE1 C 13 113.5000 0.3 . 3 . . . A 21 TYR CE1 . 25864 1 204 . 1 1 21 21 TYR CE2 C 13 113.5000 0.3 . 3 . . . A 21 TYR CE2 . 25864 1 205 . 1 1 21 21 TYR N N 15 124.9500 0.3 . 1 . . . A 21 TYR N . 25864 1 206 . 1 1 22 22 TYR H H 1 8.6330 0.05 . 1 . . . A 22 TYR H . 25864 1 207 . 1 1 22 22 TYR HA H 1 5.3900 0.05 . 1 . . . A 22 TYR HA . 25864 1 208 . 1 1 22 22 TYR HB2 H 1 2.9650 0.05 . 2 . . . A 22 TYR HB2 . 25864 1 209 . 1 1 22 22 TYR HB3 H 1 2.6220 0.05 . 2 . . . A 22 TYR HB3 . 25864 1 210 . 1 1 22 22 TYR HD1 H 1 6.7850 0.05 . 3 . . . A 22 TYR HD1 . 25864 1 211 . 1 1 22 22 TYR HD2 H 1 6.7850 0.05 . 3 . . . A 22 TYR HD2 . 25864 1 212 . 1 1 22 22 TYR HE1 H 1 6.7800 0.05 . 3 . . . A 22 TYR HE1 . 25864 1 213 . 1 1 22 22 TYR HE2 H 1 6.7800 0.05 . 3 . . . A 22 TYR HE2 . 25864 1 214 . 1 1 22 22 TYR CA C 13 56.8000 0.3 . 1 . . . A 22 TYR CA . 25864 1 215 . 1 1 22 22 TYR CB C 13 42.0000 0.3 . 1 . . . A 22 TYR CB . 25864 1 216 . 1 1 22 22 TYR CD1 C 13 130.4000 0.3 . 3 . . . A 22 TYR CD1 . 25864 1 217 . 1 1 22 22 TYR CD2 C 13 130.4000 0.3 . 3 . . . A 22 TYR CD2 . 25864 1 218 . 1 1 22 22 TYR CE1 C 13 113.5000 0.3 . 3 . . . A 22 TYR CE1 . 25864 1 219 . 1 1 22 22 TYR CE2 C 13 113.5000 0.3 . 3 . . . A 22 TYR CE2 . 25864 1 220 . 1 1 22 22 TYR N N 15 117.1710 0.3 . 1 . . . A 22 TYR N . 25864 1 221 . 1 1 23 23 VAL H H 1 9.0600 0.05 . 1 . . . A 23 VAL H . 25864 1 222 . 1 1 23 23 VAL HA H 1 5.1600 0.05 . 1 . . . A 23 VAL HA . 25864 1 223 . 1 1 23 23 VAL HB H 1 1.7750 0.05 . 1 . . . A 23 VAL HB . 25864 1 224 . 1 1 23 23 VAL HG11 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG11 . 25864 1 225 . 1 1 23 23 VAL HG12 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG12 . 25864 1 226 . 1 1 23 23 VAL HG13 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG13 . 25864 1 227 . 1 1 23 23 VAL HG21 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG21 . 25864 1 228 . 1 1 23 23 VAL HG22 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG22 . 25864 1 229 . 1 1 23 23 VAL HG23 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG23 . 25864 1 230 . 1 1 23 23 VAL CA C 13 59.4700 0.3 . 1 . . . A 23 VAL CA . 25864 1 231 . 1 1 23 23 VAL CB C 13 35.9600 0.3 . 1 . . . A 23 VAL CB . 25864 1 232 . 1 1 23 23 VAL CG1 C 13 21.1000 0.3 . 1 . . . A 23 VAL CG1 . 25864 1 233 . 1 1 23 23 VAL CG2 C 13 20.3000 0.3 . 1 . . . A 23 VAL CG2 . 25864 1 234 . 1 1 23 23 VAL N N 15 121.0940 0.3 . 1 . . . A 23 VAL N . 25864 1 235 . 1 1 24 24 ASN H H 1 8.3000 0.05 . 1 . . . A 24 ASN H . 25864 1 236 . 1 1 24 24 ASN HA H 1 4.5000 0.05 . 1 . . . A 24 ASN HA . 25864 1 237 . 1 1 24 24 ASN HB2 H 1 1.9870 0.05 . 2 . . . A 24 ASN HB2 . 25864 1 238 . 1 1 24 24 ASN HB3 H 1 -0.3900 0.05 . 2 . . . A 24 ASN HB3 . 25864 1 239 . 1 1 24 24 ASN HD21 H 1 6.6900 0.05 . 2 . . . A 24 ASN HD21 . 25864 1 240 . 1 1 24 24 ASN HD22 H 1 4.2500 0.05 . 2 . . . A 24 ASN HD22 . 25864 1 241 . 1 1 24 24 ASN CA C 13 51.1000 0.3 . 1 . . . A 24 ASN CA . 25864 1 242 . 1 1 24 24 ASN CB C 13 37.9000 0.3 . 1 . . . A 24 ASN CB . 25864 1 243 . 1 1 24 24 ASN N N 15 127.6150 0.3 . 1 . . . A 24 ASN N . 25864 1 244 . 1 1 24 24 ASN ND2 N 15 110.1600 0.3 . 1 . . . A 24 ASN ND2 . 25864 1 245 . 1 1 25 25 HIS H H 1 8.3380 0.05 . 1 . . . A 25 HIS H . 25864 1 246 . 1 1 25 25 HIS HA H 1 4.1830 0.05 . 1 . . . A 25 HIS HA . 25864 1 247 . 1 1 25 25 HIS HB2 H 1 3.0090 0.05 . 2 . . . A 25 HIS HB2 . 25864 1 248 . 1 1 25 25 HIS HB3 H 1 3.0100 0.05 . 2 . . . A 25 HIS HB3 . 25864 1 249 . 1 1 25 25 HIS HD2 H 1 6.9200 0.05 . 1 . . . A 25 HIS HD2 . 25864 1 250 . 1 1 25 25 HIS HE1 H 1 7.6500 0.05 . 1 . . . A 25 HIS HE1 . 25864 1 251 . 1 1 25 25 HIS CA C 13 59.2000 0.3 . 1 . . . A 25 HIS CA . 25864 1 252 . 1 1 25 25 HIS CB C 13 30.6400 0.3 . 1 . . . A 25 HIS CB . 25864 1 253 . 1 1 25 25 HIS CD2 C 13 115.5000 0.3 . 1 . . . A 25 HIS CD2 . 25864 1 254 . 1 1 25 25 HIS CE1 C 13 135.5000 0.3 . 1 . . . A 25 HIS CE1 . 25864 1 255 . 1 1 25 25 HIS N N 15 125.6500 0.3 . 1 . . . A 25 HIS N . 25864 1 256 . 1 1 26 26 GLU H H 1 8.4620 0.05 . 1 . . . A 26 GLU H . 25864 1 257 . 1 1 26 26 GLU HA H 1 4.0400 0.05 . 1 . . . A 26 GLU HA . 25864 1 258 . 1 1 26 26 GLU HB2 H 1 2.0080 0.05 . 2 . . . A 26 GLU HB2 . 25864 1 259 . 1 1 26 26 GLU HB3 H 1 2.0080 0.05 . 2 . . . A 26 GLU HB3 . 25864 1 260 . 1 1 26 26 GLU HG2 H 1 2.2020 0.05 . 2 . . . A 26 GLU HG2 . 25864 1 261 . 1 1 26 26 GLU CA C 13 58.7800 0.3 . 1 . . . A 26 GLU CA . 25864 1 262 . 1 1 26 26 GLU CB C 13 29.5000 0.3 . 1 . . . A 26 GLU CB . 25864 1 263 . 1 1 26 26 GLU CG C 13 36.2000 0.3 . 1 . . . A 26 GLU CG . 25864 1 264 . 1 1 26 26 GLU N N 15 121.0830 0.3 . 1 . . . A 26 GLU N . 25864 1 265 . 1 1 27 27 SER H H 1 7.8360 0.05 . 1 . . . A 27 SER H . 25864 1 266 . 1 1 27 27 SER HA H 1 4.3400 0.05 . 1 . . . A 27 SER HA . 25864 1 267 . 1 1 27 27 SER HB2 H 1 3.8130 0.05 . 2 . . . A 27 SER HB2 . 25864 1 268 . 1 1 27 27 SER HB3 H 1 3.5950 0.05 . 2 . . . A 27 SER HB3 . 25864 1 269 . 1 1 27 27 SER CA C 13 58.0000 0.3 . 1 . . . A 27 SER CA . 25864 1 270 . 1 1 27 27 SER CB C 13 64.0000 0.3 . 1 . . . A 27 SER CB . 25864 1 271 . 1 1 27 27 SER N N 15 113.1870 0.3 . 1 . . . A 27 SER N . 25864 1 272 . 1 1 28 28 ARG H H 1 7.8430 0.05 . 1 . . . A 28 ARG H . 25864 1 273 . 1 1 28 28 ARG HA H 1 3.8300 0.05 . 1 . . . A 28 ARG HA . 25864 1 274 . 1 1 28 28 ARG HB2 H 1 2.0420 0.05 . 2 . . . A 28 ARG HB2 . 25864 1 275 . 1 1 28 28 ARG HB3 H 1 1.8740 0.05 . 2 . . . A 28 ARG HB3 . 25864 1 276 . 1 1 28 28 ARG HG2 H 1 1.4900 0.05 . 2 . . . A 28 ARG HG2 . 25864 1 277 . 1 1 28 28 ARG HG3 H 1 1.4900 0.05 . 2 . . . A 28 ARG HG3 . 25864 1 278 . 1 1 28 28 ARG HD2 H 1 3.1500 0.05 . 2 . . . A 28 ARG HD2 . 25864 1 279 . 1 1 28 28 ARG HD3 H 1 3.1000 0.05 . 2 . . . A 28 ARG HD3 . 25864 1 280 . 1 1 28 28 ARG CA C 13 57.0000 0.3 . 1 . . . A 28 ARG CA . 25864 1 281 . 1 1 28 28 ARG CB C 13 26.5000 0.3 . 1 . . . A 28 ARG CB . 25864 1 282 . 1 1 28 28 ARG CG C 13 26.9000 0.3 . 1 . . . A 28 ARG CG . 25864 1 283 . 1 1 28 28 ARG CD C 13 43.2200 0.3 . 1 . . . A 28 ARG CD . 25864 1 284 . 1 1 28 28 ARG N N 15 120.5150 0.3 . 1 . . . A 28 ARG N . 25864 1 285 . 1 1 29 29 THR H H 1 7.5750 0.05 . 1 . . . A 29 THR H . 25864 1 286 . 1 1 29 29 THR HA H 1 4.5600 0.05 . 1 . . . A 29 THR HA . 25864 1 287 . 1 1 29 29 THR HB H 1 3.7700 0.05 . 1 . . . A 29 THR HB . 25864 1 288 . 1 1 29 29 THR HG21 H 1 1.2600 0.05 . 1 . . . A 29 THR HG21 . 25864 1 289 . 1 1 29 29 THR HG22 H 1 1.2600 0.05 . 1 . . . A 29 THR HG22 . 25864 1 290 . 1 1 29 29 THR HG23 H 1 1.2600 0.05 . 1 . . . A 29 THR HG23 . 25864 1 291 . 1 1 29 29 THR CA C 13 61.7000 0.3 . 1 . . . A 29 THR CA . 25864 1 292 . 1 1 29 29 THR CB C 13 70.8700 0.3 . 1 . . . A 29 THR CB . 25864 1 293 . 1 1 29 29 THR CG2 C 13 21.9000 0.3 . 1 . . . A 29 THR CG2 . 25864 1 294 . 1 1 29 29 THR N N 15 114.6780 0.3 . 1 . . . A 29 THR N . 25864 1 295 . 1 1 30 30 THR H H 1 8.3990 0.05 . 1 . . . A 30 THR H . 25864 1 296 . 1 1 30 30 THR HA H 1 5.4600 0.05 . 1 . . . A 30 THR HA . 25864 1 297 . 1 1 30 30 THR HB H 1 3.8920 0.05 . 1 . . . A 30 THR HB . 25864 1 298 . 1 1 30 30 THR HG21 H 1 1.0000 0.05 . 1 . . . A 30 THR HG21 . 25864 1 299 . 1 1 30 30 THR HG22 H 1 1.0000 0.05 . 1 . . . A 30 THR HG22 . 25864 1 300 . 1 1 30 30 THR HG23 H 1 1.0000 0.05 . 1 . . . A 30 THR HG23 . 25864 1 301 . 1 1 30 30 THR CA C 13 60.6000 0.3 . 1 . . . A 30 THR CA . 25864 1 302 . 1 1 30 30 THR CB C 13 71.2500 0.3 . 1 . . . A 30 THR CB . 25864 1 303 . 1 1 30 30 THR CG2 C 13 21.9000 0.3 . 1 . . . A 30 THR CG2 . 25864 1 304 . 1 1 30 30 THR N N 15 120.0590 0.3 . 1 . . . A 30 THR N . 25864 1 305 . 1 1 31 31 GLN H H 1 9.3670 0.05 . 1 . . . A 31 GLN H . 25864 1 306 . 1 1 31 31 GLN HA H 1 4.8800 0.05 . 1 . . . A 31 GLN HA . 25864 1 307 . 1 1 31 31 GLN HB2 H 1 2.2600 0.05 . 2 . . . A 31 GLN HB2 . 25864 1 308 . 1 1 31 31 GLN HB3 H 1 2.1500 0.05 . 2 . . . A 31 GLN HB3 . 25864 1 309 . 1 1 31 31 GLN HG2 H 1 2.5350 0.05 . 2 . . . A 31 GLN HG2 . 25864 1 310 . 1 1 31 31 GLN HG3 H 1 2.4130 0.05 . 2 . . . A 31 GLN HG3 . 25864 1 311 . 1 1 31 31 GLN HE21 H 1 7.3900 0.05 . 2 . . . A 31 GLN HE21 . 25864 1 312 . 1 1 31 31 GLN HE22 H 1 6.7500 0.05 . 2 . . . A 31 GLN HE22 . 25864 1 313 . 1 1 31 31 GLN CA C 13 54.5000 0.3 . 1 . . . A 31 GLN CA . 25864 1 314 . 1 1 31 31 GLN CB C 13 32.3000 0.3 . 1 . . . A 31 GLN CB . 25864 1 315 . 1 1 31 31 GLN CG C 13 32.3000 0.3 . 1 . . . A 31 GLN CG . 25864 1 316 . 1 1 31 31 GLN N N 15 120.5130 0.3 . 1 . . . A 31 GLN N . 25864 1 317 . 1 1 31 31 GLN NE2 N 15 113.8000 0.3 . 1 . . . A 31 GLN NE2 . 25864 1 318 . 1 1 32 32 TRP H H 1 8.4800 0.05 . 1 . . . A 32 TRP H . 25864 1 319 . 1 1 32 32 TRP HA H 1 4.8800 0.05 . 1 . . . A 32 TRP HA . 25864 1 320 . 1 1 32 32 TRP HB2 H 1 3.5880 0.05 . 2 . . . A 32 TRP HB2 . 25864 1 321 . 1 1 32 32 TRP HB3 H 1 3.1200 0.05 . 2 . . . A 32 TRP HB3 . 25864 1 322 . 1 1 32 32 TRP HD1 H 1 7.3680 0.05 . 1 . . . A 32 TRP HD1 . 25864 1 323 . 1 1 32 32 TRP HE1 H 1 10.0830 0.05 . 1 . . . A 32 TRP HE1 . 25864 1 324 . 1 1 32 32 TRP HE3 H 1 8.0270 0.05 . 1 . . . A 32 TRP HE3 . 25864 1 325 . 1 1 32 32 TRP HZ2 H 1 7.2700 0.05 . 1 . . . A 32 TRP HZ2 . 25864 1 326 . 1 1 32 32 TRP HZ3 H 1 6.8800 0.05 . 1 . . . A 32 TRP HZ3 . 25864 1 327 . 1 1 32 32 TRP HH2 H 1 7.1080 0.05 . 1 . . . A 32 TRP HH2 . 25864 1 328 . 1 1 32 32 TRP CA C 13 58.7000 0.3 . 1 . . . A 32 TRP CA . 25864 1 329 . 1 1 32 32 TRP CB C 13 30.2000 0.3 . 1 . . . A 32 TRP CB . 25864 1 330 . 1 1 32 32 TRP CD1 C 13 124.2000 0.3 . 1 . . . A 32 TRP CD1 . 25864 1 331 . 1 1 32 32 TRP CE3 C 13 118.1000 0.3 . 1 . . . A 32 TRP CE3 . 25864 1 332 . 1 1 32 32 TRP CZ2 C 13 110.4000 0.3 . 1 . . . A 32 TRP CZ2 . 25864 1 333 . 1 1 32 32 TRP CZ3 C 13 118.6000 0.3 . 1 . . . A 32 TRP CZ3 . 25864 1 334 . 1 1 32 32 TRP CH2 C 13 121.2000 0.3 . 1 . . . A 32 TRP CH2 . 25864 1 335 . 1 1 32 32 TRP N N 15 121.7330 0.3 . 1 . . . A 32 TRP N . 25864 1 336 . 1 1 32 32 TRP NE1 N 15 129.9600 0.3 . 1 . . . A 32 TRP NE1 . 25864 1 337 . 1 1 33 33 LYS H H 1 7.5410 0.05 . 1 . . . A 33 LYS H . 25864 1 338 . 1 1 33 33 LYS HA H 1 4.3400 0.05 . 1 . . . A 33 LYS HA . 25864 1 339 . 1 1 33 33 LYS HB2 H 1 1.6800 0.05 . 2 . . . A 33 LYS HB2 . 25864 1 340 . 1 1 33 33 LYS HB3 H 1 1.5800 0.05 . 2 . . . A 33 LYS HB3 . 25864 1 341 . 1 1 33 33 LYS HG2 H 1 1.3300 0.05 . 2 . . . A 33 LYS HG2 . 25864 1 342 . 1 1 33 33 LYS HG3 H 1 1.2700 0.05 . 2 . . . A 33 LYS HG3 . 25864 1 343 . 1 1 33 33 LYS HD2 H 1 2.9300 0.05 . 2 . . . A 33 LYS HD2 . 25864 1 344 . 1 1 33 33 LYS HD3 H 1 2.9200 0.05 . 2 . . . A 33 LYS HD3 . 25864 1 345 . 1 1 33 33 LYS CA C 13 55.3000 0.3 . 1 . . . A 33 LYS CA . 25864 1 346 . 1 1 33 33 LYS CB C 13 33.6800 0.3 . 1 . . . A 33 LYS CB . 25864 1 347 . 1 1 33 33 LYS CG C 13 24.3000 0.3 . 1 . . . A 33 LYS CG . 25864 1 348 . 1 1 33 33 LYS CD C 13 42.0000 0.3 . 1 . . . A 33 LYS CD . 25864 1 349 . 1 1 33 33 LYS N N 15 120.3870 0.3 . 1 . . . A 33 LYS N . 25864 1 350 . 1 1 34 34 ARG H H 1 8.5290 0.05 . 1 . . . A 34 ARG H . 25864 1 351 . 1 1 34 34 ARG HA H 1 2.7200 0.05 . 1 . . . A 34 ARG HA . 25864 1 352 . 1 1 34 34 ARG HB2 H 1 1.3800 0.05 . 2 . . . A 34 ARG HB2 . 25864 1 353 . 1 1 34 34 ARG HB3 H 1 1.3600 0.05 . 2 . . . A 34 ARG HB3 . 25864 1 354 . 1 1 34 34 ARG HG2 H 1 1.1800 0.05 . 2 . . . A 34 ARG HG2 . 25864 1 355 . 1 1 34 34 ARG HG3 H 1 0.8550 0.05 . 2 . . . A 34 ARG HG3 . 25864 1 356 . 1 1 34 34 ARG HD2 H 1 3.0200 0.05 . 2 . . . A 34 ARG HD2 . 25864 1 357 . 1 1 34 34 ARG HD3 H 1 3.0200 0.05 . 2 . . . A 34 ARG HD3 . 25864 1 358 . 1 1 34 34 ARG CA C 13 54.5000 0.3 . 1 . . . A 34 ARG CA . 25864 1 359 . 1 1 34 34 ARG CB C 13 30.0000 0.3 . 1 . . . A 34 ARG CB . 25864 1 360 . 1 1 34 34 ARG CG C 13 27.6000 0.3 . 1 . . . A 34 ARG CG . 25864 1 361 . 1 1 34 34 ARG CD C 13 43.6000 0.3 . 1 . . . A 34 ARG CD . 25864 1 362 . 1 1 34 34 ARG N N 15 129.0600 0.3 . 1 . . . A 34 ARG N . 25864 1 363 . 1 1 35 35 PRO HA H 1 3.8400 0.05 . 1 . . . A 35 PRO HA . 25864 1 364 . 1 1 35 35 PRO HB2 H 1 0.7100 0.05 . 2 . . . A 35 PRO HB2 . 25864 1 365 . 1 1 35 35 PRO HB3 H 1 0.7000 0.05 . 2 . . . A 35 PRO HB3 . 25864 1 366 . 1 1 35 35 PRO HG2 H 1 0.5090 0.05 . 2 . . . A 35 PRO HG2 . 25864 1 367 . 1 1 35 35 PRO HG3 H 1 0.0150 0.05 . 2 . . . A 35 PRO HG3 . 25864 1 368 . 1 1 35 35 PRO HD2 H 1 2.5120 0.05 . 2 . . . A 35 PRO HD2 . 25864 1 369 . 1 1 35 35 PRO HD3 H 1 2.2020 0.05 . 2 . . . A 35 PRO HD3 . 25864 1 370 . 1 1 35 35 PRO CA C 13 62.0600 0.3 . 1 . . . A 35 PRO CA . 25864 1 371 . 1 1 35 35 PRO CB C 13 30.9400 0.3 . 1 . . . A 35 PRO CB . 25864 1 372 . 1 1 35 35 PRO CG C 13 26.0000 0.3 . 1 . . . A 35 PRO CG . 25864 1 373 . 1 1 35 35 PRO CD C 13 50.1800 0.3 . 1 . . . A 35 PRO CD . 25864 1 374 . 1 1 36 36 SER H H 1 8.1940 0.05 . 1 . . . A 36 SER H . 25864 1 375 . 1 1 36 36 SER HA H 1 4.6570 0.05 . 1 . . . A 36 SER HA . 25864 1 376 . 1 1 36 36 SER HB2 H 1 3.7800 0.05 . 2 . . . A 36 SER HB2 . 25864 1 377 . 1 1 36 36 SER HB3 H 1 3.7200 0.05 . 2 . . . A 36 SER HB3 . 25864 1 378 . 1 1 36 36 SER CA C 13 56.1000 0.3 . 1 . . . A 36 SER CA . 25864 1 379 . 1 1 36 36 SER CB C 13 64.0000 0.3 . 1 . . . A 36 SER CB . 25864 1 380 . 1 1 36 36 SER N N 15 119.0370 0.3 . 1 . . . A 36 SER N . 25864 1 381 . 1 1 37 37 PRO HA H 1 4.3000 0.05 . 1 . . . A 37 PRO HA . 25864 1 382 . 1 1 37 37 PRO HB2 H 1 2.3000 0.05 . 2 . . . A 37 PRO HB2 . 25864 1 383 . 1 1 37 37 PRO HB3 H 1 1.9400 0.05 . 2 . . . A 37 PRO HB3 . 25864 1 384 . 1 1 37 37 PRO HG2 H 1 2.0500 0.05 . 2 . . . A 37 PRO HG2 . 25864 1 385 . 1 1 37 37 PRO HG3 H 1 1.9300 0.05 . 2 . . . A 37 PRO HG3 . 25864 1 386 . 1 1 37 37 PRO HD2 H 1 3.7800 0.05 . 2 . . . A 37 PRO HD2 . 25864 1 387 . 1 1 37 37 PRO HD3 H 1 3.7200 0.05 . 2 . . . A 37 PRO HD3 . 25864 1 388 . 1 1 37 37 PRO CA C 13 64.0500 0.3 . 1 . . . A 37 PRO CA . 25864 1 389 . 1 1 37 37 PRO CB C 13 32.1500 0.3 . 1 . . . A 37 PRO CB . 25864 1 390 . 1 1 37 37 PRO CG C 13 27.6000 0.3 . 1 . . . A 37 PRO CG . 25864 1 391 . 1 1 37 37 PRO CD C 13 50.6000 0.3 . 1 . . . A 37 PRO CD . 25864 1 392 . 1 1 38 38 GLU H H 1 8.2920 0.05 . 1 . . . A 38 GLU H . 25864 1 393 . 1 1 38 38 GLU HA H 1 4.2900 0.05 . 1 . . . A 38 GLU HA . 25864 1 394 . 1 1 38 38 GLU HB2 H 1 2.1100 0.05 . 2 . . . A 38 GLU HB2 . 25864 1 395 . 1 1 38 38 GLU HB3 H 1 1.8400 0.05 . 2 . . . A 38 GLU HB3 . 25864 1 396 . 1 1 38 38 GLU HG2 H 1 2.2300 0.05 . 2 . . . A 38 GLU HG2 . 25864 1 397 . 1 1 38 38 GLU HG3 H 1 2.2300 0.05 . 2 . . . A 38 GLU HG3 . 25864 1 398 . 1 1 38 38 GLU CA C 13 56.4400 0.3 . 1 . . . A 38 GLU CA . 25864 1 399 . 1 1 38 38 GLU CB C 13 30.2700 0.3 . 1 . . . A 38 GLU CB . 25864 1 400 . 1 1 38 38 GLU CG C 13 36.6000 0.3 . 1 . . . A 38 GLU CG . 25864 1 401 . 1 1 38 38 GLU N N 15 119.6170 0.3 . 1 . . . A 38 GLU N . 25864 1 402 . 1 1 39 39 ASP H H 1 7.6400 0.05 . 1 . . . A 39 ASP H . 25864 1 403 . 1 1 39 39 ASP HA H 1 4.3300 0.05 . 1 . . . A 39 ASP HA . 25864 1 404 . 1 1 39 39 ASP HB2 H 1 2.7000 0.05 . 2 . . . A 39 ASP HB2 . 25864 1 405 . 1 1 39 39 ASP HB3 H 1 2.5670 0.05 . 2 . . . A 39 ASP HB3 . 25864 1 406 . 1 1 39 39 ASP CA C 13 56.4400 0.3 . 1 . . . A 39 ASP CA . 25864 1 407 . 1 1 39 39 ASP CB C 13 42.0000 0.3 . 1 . . . A 39 ASP CB . 25864 1 408 . 1 1 39 39 ASP N N 15 127.8400 0.3 . 1 . . . A 39 ASP N . 25864 1 stop_ save_