data_26698 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26698 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain ; _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 _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 . . . . 26698 2 Fabien Kieken . . . . 26698 3 Paul Sorgen . L. . . 26698 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sorgen group, Biochemistry and Molecular Biology Department, UNMC' . 26698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 26698 '15N chemical shifts' 38 26698 '1H chemical shifts' 240 26698 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' 26698 1 . . 2016-02-22 2015-10-27 original author 'original release' 26698 stop_ save_ ############### # Citations # ############### save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 26698 _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 . . . . 26698 1 2 Fabien Kieken . . . . 26698 1 3 Jennifer Kopanic . L. . . 26698 1 4 Hanjun Li . . . . 26698 1 5 Sydney Zach . L. . . 26698 1 6 Kelly Stauch . . . . 26698 1 7 Rosslyn Grosely . L. . . 26698 1 8 Paul Sorgen . . . . 26698 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cx43 26698 1 NMR 26698 1 Nedd4 26698 1 'WW domains' 26698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_my_system _Assembly.Sf_category assembly _Assembly.Sf_framecode my_system _Assembly.Entry_ID 26698 _Assembly.ID 1 _Assembly.Name 'rNedd4 WW3 Domain' _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 'rNedd4 WW3 Domain' 1 $Nedd4_WW3 A . yes native no no . . . 26698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nedd4_WW3 _Entity.Sf_category entity _Entity.Sf_framecode Nedd4_WW3 _Entity.Entry_ID 26698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nedd4_WW3 _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 ; GSLGPLPPGWEERTHTDGRV FFINHNIKKTQWEDPRMQN ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment WW3 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Substrate recognition domain of a ubiquitin ligase' 26698 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 . 26698 1 2 2 SER . 26698 1 3 3 LEU . 26698 1 4 4 GLY . 26698 1 5 5 PRO . 26698 1 6 6 LEU . 26698 1 7 7 PRO . 26698 1 8 8 PRO . 26698 1 9 9 GLY . 26698 1 10 10 TRP . 26698 1 11 11 GLU . 26698 1 12 12 GLU . 26698 1 13 13 ARG . 26698 1 14 14 THR . 26698 1 15 15 HIS . 26698 1 16 16 THR . 26698 1 17 17 ASP . 26698 1 18 18 GLY . 26698 1 19 19 ARG . 26698 1 20 20 VAL . 26698 1 21 21 PHE . 26698 1 22 22 PHE . 26698 1 23 23 ILE . 26698 1 24 24 ASN . 26698 1 25 25 HIS . 26698 1 26 26 ASN . 26698 1 27 27 ILE . 26698 1 28 28 LYS . 26698 1 29 29 LYS . 26698 1 30 30 THR . 26698 1 31 31 GLN . 26698 1 32 32 TRP . 26698 1 33 33 GLU . 26698 1 34 34 ASP . 26698 1 35 35 PRO . 26698 1 36 36 ARG . 26698 1 37 37 MET . 26698 1 38 38 GLN . 26698 1 39 39 ASN . 26698 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 26698 1 . SER 2 2 26698 1 . LEU 3 3 26698 1 . GLY 4 4 26698 1 . PRO 5 5 26698 1 . LEU 6 6 26698 1 . PRO 7 7 26698 1 . PRO 8 8 26698 1 . GLY 9 9 26698 1 . TRP 10 10 26698 1 . GLU 11 11 26698 1 . GLU 12 12 26698 1 . ARG 13 13 26698 1 . THR 14 14 26698 1 . HIS 15 15 26698 1 . THR 16 16 26698 1 . ASP 17 17 26698 1 . GLY 18 18 26698 1 . ARG 19 19 26698 1 . VAL 20 20 26698 1 . PHE 21 21 26698 1 . PHE 22 22 26698 1 . ILE 23 23 26698 1 . ASN 24 24 26698 1 . HIS 25 25 26698 1 . ASN 26 26 26698 1 . ILE 27 27 26698 1 . LYS 28 28 26698 1 . LYS 29 29 26698 1 . THR 30 30 26698 1 . GLN 31 31 26698 1 . TRP 32 32 26698 1 . GLU 33 33 26698 1 . ASP 34 34 26698 1 . PRO 35 35 26698 1 . ARG 36 36 26698 1 . MET 37 37 26698 1 . GLN 38 38 26698 1 . ASN 39 39 26698 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 26698 _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_WW3 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26698 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 26698 _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_WW3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-KT . . . 26698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26698 _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 WW3' '[U-98% 13C; U-98% 15N]' . . 1 $Nedd4_WW3 . . 1 . . mM . . . . 26698 1 2 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 26698 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26698 1 4 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 26698 1 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26698 1 6 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26698 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26698 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26698 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 26698 _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 26698 1 pH 7.5 . pH 26698 1 pressure 1 . atm 26698 1 temperature 273 . K 26698 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe_1 _Software.Sf_category software _Software.Sf_framecode NMRPipe_1 _Software.Entry_ID 26698 _Software.ID 1 _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' . . 26698 1 'Johnson, One Moon Scientific' . . 26698 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26698 1 'data analysis' 26698 1 'peak picking' 26698 1 processing 26698 1 stop_ save_ save_NMRPipe_2 _Software.Sf_category software _Software.Sf_framecode NMRPipe_2 _Software.Entry_ID 26698 _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' . . 26698 2 'Johnson, One Moon Scientific' . . 26698 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26698 2 'data analysis' 26698 2 'peak picking' 26698 2 processing 26698 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26698 _Software.ID 3 _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' . . 26698 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26698 3 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 26698 _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 26698 _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 . . 26698 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 26698 _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 . . . . . . . . . . . . . . . . 26698 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26698 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 26698 _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 . . . . . 26698 1 H 1 water protons . . . . ppm 4.758 internal direct 1.0 . . . . . 26698 1 N 15 water protons . . . . ppm 120 internal indirect 0.101329118 . . . . . 26698 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 26698 _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 'Derived from the file: /usr/lab/people/fkieken/ww3/run20/data/aro/aro.ppm' _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' . . . 26698 1 2 '2D 1H-13C HSQC aliphatic' . . . 26698 1 4 '3D HNCACB' . . . 26698 1 5 '3D CBCA(CO)NH' . . . 26698 1 6 '3D 1H-15N NOESY' . . . 26698 1 7 '3D 1H-13C NOESY aliphatic' . . . 26698 1 8 '3D 1H-13C NOESY aromatic' . . . 26698 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 2 2 SER HA H 1 4.505 . . 1 . . . . 2 SER HA . 26698 1 2 . 1 1 2 2 SER HB2 H 1 3.840 . . 2 . . . . 2 SER HB1 . 26698 1 3 . 1 1 2 2 SER HB3 H 1 3.840 . . 2 . . . . 2 SER HB2 . 26698 1 4 . 1 1 2 2 SER CA C 13 58.300 . . 1 . . . . 2 SER CA . 26698 1 5 . 1 1 2 2 SER CB C 13 63.800 . . 1 . . . . 2 SER CB . 26698 1 6 . 1 1 3 3 LEU H H 1 8.257 . . 1 . . . . 3 LEU HN . 26698 1 7 . 1 1 3 3 LEU HA H 1 4.380 . . 1 . . . . 3 LEU HA . 26698 1 8 . 1 1 3 3 LEU HB2 H 1 1.450 . . 2 . . . . 3 LEU HB1 . 26698 1 9 . 1 1 3 3 LEU HB3 H 1 1.506 . . 2 . . . . 3 LEU HB2 . 26698 1 10 . 1 1 3 3 LEU HG H 1 1.600 . . 1 . . . . 3 LEU HG . 26698 1 11 . 1 1 3 3 LEU HD11 H 1 0.820 . . 2 . . . . 3 LEU HD11 . 26698 1 12 . 1 1 3 3 LEU HD12 H 1 0.820 . . 2 . . . . 3 LEU HD11 . 26698 1 13 . 1 1 3 3 LEU HD13 H 1 0.820 . . 2 . . . . 3 LEU HD11 . 26698 1 14 . 1 1 3 3 LEU HD21 H 1 0.855 . . 2 . . . . 3 LEU HD21 . 26698 1 15 . 1 1 3 3 LEU HD22 H 1 0.855 . . 2 . . . . 3 LEU HD21 . 26698 1 16 . 1 1 3 3 LEU HD23 H 1 0.855 . . 2 . . . . 3 LEU HD21 . 26698 1 17 . 1 1 3 3 LEU CA C 13 55.300 . . 1 . . . . 3 LEU CA . 26698 1 18 . 1 1 3 3 LEU CB C 13 42.900 . . 1 . . . . 3 LEU CB . 26698 1 19 . 1 1 3 3 LEU CG C 13 27.600 . . 1 . . . . 3 LEU CG . 26698 1 20 . 1 1 3 3 LEU CD1 C 13 24.000 . . 1 . . . . 3 LEU CD1 . 26698 1 21 . 1 1 3 3 LEU CD2 C 13 24.000 . . 1 . . . . 3 LEU CD2 . 26698 1 22 . 1 1 3 3 LEU N N 15 125.080 . . 1 . . . . 3 LEU N . 26698 1 23 . 1 1 4 4 GLY H H 1 8.170 . . 1 . . . . 4 GLY HN . 26698 1 24 . 1 1 4 4 GLY HA2 H 1 4.010 . . 2 . . . . 4 GLY HA1 . 26698 1 25 . 1 1 4 4 GLY HA3 H 1 4.030 . . 2 . . . . 4 GLY HA2 . 26698 1 26 . 1 1 4 4 GLY CA C 13 44.200 . . 1 . . . . 4 GLY CA . 26698 1 27 . 1 1 4 4 GLY N N 15 109.800 . . 1 . . . . 4 GLY N . 26698 1 28 . 1 1 5 5 PRO HA H 1 4.474 . . 1 . . . . 5 PRO HA . 26698 1 29 . 1 1 5 5 PRO HB2 H 1 1.905 . . 2 . . . . 5 PRO HB1 . 26698 1 30 . 1 1 5 5 PRO HB3 H 1 2.254 . . 2 . . . . 5 PRO HB2 . 26698 1 31 . 1 1 5 5 PRO HG2 H 1 1.920 . . 2 . . . . 5 PRO HG1 . 26698 1 32 . 1 1 5 5 PRO HG3 H 1 1.980 . . 2 . . . . 5 PRO HG2 . 26698 1 33 . 1 1 5 5 PRO HD2 H 1 3.550 . . 2 . . . . 5 PRO HD1 . 26698 1 34 . 1 1 5 5 PRO HD3 H 1 3.550 . . 2 . . . . 5 PRO HD2 . 26698 1 35 . 1 1 5 5 PRO CA C 13 62.400 . . 1 . . . . 5 PRO CA . 26698 1 36 . 1 1 5 5 PRO CB C 13 32.100 . . 1 . . . . 5 PRO CB . 26698 1 37 . 1 1 5 5 PRO CG C 13 27.200 . . 1 . . . . 5 PRO CG . 26698 1 38 . 1 1 5 5 PRO CD C 13 49.300 . . 1 . . . . 5 PRO CD . 26698 1 39 . 1 1 6 6 LEU H H 1 8.683 . . 1 . . . . 6 LEU HN . 26698 1 40 . 1 1 6 6 LEU HA H 1 4.120 . . 1 . . . . 6 LEU HA . 26698 1 41 . 1 1 6 6 LEU HB2 H 1 1.430 . . 2 . . . . 6 LEU HB1 . 26698 1 42 . 1 1 6 6 LEU HB3 H 1 1.759 . . 2 . . . . 6 LEU HB2 . 26698 1 43 . 1 1 6 6 LEU HG H 1 1.780 . . 1 . . . . 6 LEU HG . 26698 1 44 . 1 1 6 6 LEU HD11 H 1 1.064 . . 2 . . . . 6 LEU HD11 . 26698 1 45 . 1 1 6 6 LEU HD12 H 1 1.064 . . 2 . . . . 6 LEU HD11 . 26698 1 46 . 1 1 6 6 LEU HD13 H 1 1.064 . . 2 . . . . 6 LEU HD11 . 26698 1 47 . 1 1 6 6 LEU HD21 H 1 0.760 . . 2 . . . . 6 LEU HD21 . 26698 1 48 . 1 1 6 6 LEU HD22 H 1 0.760 . . 2 . . . . 6 LEU HD21 . 26698 1 49 . 1 1 6 6 LEU HD23 H 1 0.760 . . 2 . . . . 6 LEU HD21 . 26698 1 50 . 1 1 6 6 LEU CA C 13 53.400 . . 1 . . . . 6 LEU CA . 26698 1 51 . 1 1 6 6 LEU CB C 13 41.400 . . 1 . . . . 6 LEU CB . 26698 1 52 . 1 1 6 6 LEU CG C 13 27.200 . . 1 . . . . 6 LEU CG . 26698 1 53 . 1 1 6 6 LEU CD1 C 13 26.400 . . 1 . . . . 6 LEU CD1 . 26698 1 54 . 1 1 6 6 LEU CD2 C 13 24.000 . . 1 . . . . 6 LEU CD2 . 26698 1 55 . 1 1 6 6 LEU N N 15 123.920 . . 1 . . . . 6 LEU N . 26698 1 56 . 1 1 7 7 PRO HA H 1 4.530 . . 1 . . . . 7 PRO HA . 26698 1 57 . 1 1 7 7 PRO HB2 H 1 1.960 . . 2 . . . . 7 PRO HB1 . 26698 1 58 . 1 1 7 7 PRO HB3 H 1 2.540 . . 2 . . . . 7 PRO HB2 . 26698 1 59 . 1 1 7 7 PRO HG2 H 1 1.590 . . 2 . . . . 7 PRO HG1 . 26698 1 60 . 1 1 7 7 PRO HG3 H 1 1.820 . . 2 . . . . 7 PRO HG2 . 26698 1 61 . 1 1 7 7 PRO HD2 H 1 2.910 . . 2 . . . . 7 PRO HD1 . 26698 1 62 . 1 1 7 7 PRO HD3 H 1 3.420 . . 2 . . . . 7 PRO HD2 . 26698 1 63 . 1 1 7 7 PRO CA C 13 61.200 . . 1 . . . . 7 PRO CA . 26698 1 64 . 1 1 7 7 PRO CB C 13 29.700 . . 1 . . . . 7 PRO CB . 26698 1 65 . 1 1 7 7 PRO CG C 13 27.260 . . 1 . . . . 7 PRO CG . 26698 1 66 . 1 1 7 7 PRO CD C 13 50.180 . . 1 . . . . 7 PRO CD . 26698 1 67 . 1 1 8 8 PRO HA H 1 4.360 . . 1 . . . . 8 PRO HA . 26698 1 68 . 1 1 8 8 PRO HB2 H 1 1.900 . . 2 . . . . 8 PRO HB1 . 26698 1 69 . 1 1 8 8 PRO HB3 H 1 2.310 . . 2 . . . . 8 PRO HB2 . 26698 1 70 . 1 1 8 8 PRO HG2 H 1 2.020 . . 2 . . . . 8 PRO HG1 . 26698 1 71 . 1 1 8 8 PRO HG3 H 1 2.120 . . 2 . . . . 8 PRO HG2 . 26698 1 72 . 1 1 8 8 PRO HD2 H 1 3.610 . . 2 . . . . 8 PRO HD1 . 26698 1 73 . 1 1 8 8 PRO HD3 H 1 3.860 . . 2 . . . . 8 PRO HD2 . 26698 1 74 . 1 1 8 8 PRO CA C 13 64.000 . . 1 . . . . 8 PRO CA . 26698 1 75 . 1 1 8 8 PRO CB C 13 32.080 . . 1 . . . . 8 PRO CB . 26698 1 76 . 1 1 8 8 PRO CG C 13 27.600 . . 1 . . . . 8 PRO CG . 26698 1 77 . 1 1 8 8 PRO CD C 13 50.180 . . 1 . . . . 8 PRO CD . 26698 1 78 . 1 1 9 9 GLY H H 1 8.788 . . 1 . . . . 9 GLY HN . 26698 1 79 . 1 1 9 9 GLY HA2 H 1 3.616 . . 2 . . . . 9 GLY HA1 . 26698 1 80 . 1 1 9 9 GLY HA3 H 1 4.159 . . 2 . . . . 9 GLY HA2 . 26698 1 81 . 1 1 9 9 GLY CA C 13 45.300 . . 1 . . . . 9 GLY CA . 26698 1 82 . 1 1 9 9 GLY N N 15 113.500 . . 1 . . . . 9 GLY N . 26698 1 83 . 1 1 10 10 TRP H H 1 7.644 . . 1 . . . . 10 TRP HN . 26698 1 84 . 1 1 10 10 TRP HA H 1 5.395 . . 1 . . . . 10 TRP HA . 26698 1 85 . 1 1 10 10 TRP HB2 H 1 3.030 . . 2 . . . . 10 TRP HB1 . 26698 1 86 . 1 1 10 10 TRP HB3 H 1 3.300 . . 2 . . . . 10 TRP HB2 . 26698 1 87 . 1 1 10 10 TRP HE1 H 1 10.600 . . 1 . . . . 10 TRP HE1 . 26698 1 88 . 1 1 10 10 TRP CA C 13 56.700 . . 1 . . . . 10 TRP CA . 26698 1 89 . 1 1 10 10 TRP CB C 13 32.000 . . 1 . . . . 10 TRP CB . 26698 1 90 . 1 1 10 10 TRP CD1 C 13 123.770 . . 1 . . . . 10 TRP CD1 . 26698 1 91 . 1 1 10 10 TRP CE3 C 13 116.600 . . 1 . . . . 10 TRP CE3 . 26698 1 92 . 1 1 10 10 TRP CZ2 C 13 111.400 . . 1 . . . . 10 TRP CZ2 . 26698 1 93 . 1 1 10 10 TRP CZ3 C 13 118.600 . . 1 . . . . 10 TRP CZ3 . 26698 1 94 . 1 1 10 10 TRP CH2 C 13 121.200 . . 1 . . . . 10 TRP CH2 . 26698 1 95 . 1 1 10 10 TRP N N 15 119.410 . . 1 . . . . 10 TRP N . 26698 1 96 . 1 1 10 10 TRP NE1 N 15 130.670 . . 1 . . . . 10 TRP NE1 . 26698 1 97 . 1 1 11 11 GLU H H 1 9.383 . . 1 . . . . 11 GLU HN . 26698 1 98 . 1 1 11 11 GLU HA H 1 4.707 . . 1 . . . . 11 GLU HA . 26698 1 99 . 1 1 11 11 GLU HB2 H 1 1.960 . . 2 . . . . 11 GLU HB1 . 26698 1 100 . 1 1 11 11 GLU HB3 H 1 2.030 . . 2 . . . . 11 GLU HB2 . 26698 1 101 . 1 1 11 11 GLU HG2 H 1 2.200 . . 2 . . . . 11 GLU HG1 . 26698 1 102 . 1 1 11 11 GLU HG3 H 1 2.250 . . 2 . . . . 11 GLU HG2 . 26698 1 103 . 1 1 11 11 GLU CA C 13 55.000 . . 1 . . . . 11 GLU CA . 26698 1 104 . 1 1 11 11 GLU CB C 13 34.600 . . 1 . . . . 11 GLU CB . 26698 1 105 . 1 1 11 11 GLU CG C 13 36.200 . . 1 . . . . 11 GLU CG . 26698 1 106 . 1 1 11 11 GLU N N 15 122.300 . . 1 . . . . 11 GLU N . 26698 1 107 . 1 1 12 12 GLU H H 1 8.688 . . 1 . . . . 12 GLU HN . 26698 1 108 . 1 1 12 12 GLU HA H 1 4.580 . . 1 . . . . 12 GLU HA . 26698 1 109 . 1 1 12 12 GLU HB2 H 1 1.880 . . 2 . . . . 12 GLU HB1 . 26698 1 110 . 1 1 12 12 GLU HB3 H 1 1.870 . . 2 . . . . 12 GLU HB2 . 26698 1 111 . 1 1 12 12 GLU HG2 H 1 1.850 . . 2 . . . . 12 GLU HG1 . 26698 1 112 . 1 1 12 12 GLU HG3 H 1 1.850 . . 2 . . . . 12 GLU HG2 . 26698 1 113 . 1 1 12 12 GLU CA C 13 55.100 . . 1 . . . . 12 GLU CA . 26698 1 114 . 1 1 12 12 GLU CB C 13 32.500 . . 1 . . . . 12 GLU CB . 26698 1 115 . 1 1 12 12 GLU CG C 13 36.700 . . 1 . . . . 12 GLU CG . 26698 1 116 . 1 1 12 12 GLU N N 15 125.847 . . 1 . . . . 12 GLU N . 26698 1 117 . 1 1 13 13 ARG H H 1 8.504 . . 1 . . . . 13 ARG HN . 26698 1 118 . 1 1 13 13 ARG HA H 1 4.360 . . 1 . . . . 13 ARG HA . 26698 1 119 . 1 1 13 13 ARG HB2 H 1 0.028 . . 2 . . . . 13 ARG HB1 . 26698 1 120 . 1 1 13 13 ARG HB3 H 1 1.040 . . 2 . . . . 13 ARG HB2 . 26698 1 121 . 1 1 13 13 ARG HG2 H 1 1.170 . . 2 . . . . 13 ARG HG1 . 26698 1 122 . 1 1 13 13 ARG HG3 H 1 1.170 . . 2 . . . . 13 ARG HG2 . 26698 1 123 . 1 1 13 13 ARG HD2 H 1 2.940 . . 2 . . . . 13 ARG HD1 . 26698 1 124 . 1 1 13 13 ARG HD3 H 1 3.140 . . 2 . . . . 13 ARG HD2 . 26698 1 125 . 1 1 13 13 ARG CA C 13 53.700 . . 1 . . . . 13 ARG CA . 26698 1 126 . 1 1 13 13 ARG CB C 13 34.100 . . 1 . . . . 13 ARG CB . 26698 1 127 . 1 1 13 13 ARG CG C 13 26.800 . . 1 . . . . 13 ARG CG . 26698 1 128 . 1 1 13 13 ARG CD C 13 43.000 . . 1 . . . . 13 ARG CD . 26698 1 129 . 1 1 13 13 ARG N N 15 127.130 . . 1 . . . . 13 ARG N . 26698 1 130 . 1 1 14 14 THR H H 1 8.080 . . 1 . . . . 14 THR HN . 26698 1 131 . 1 1 14 14 THR HA H 1 4.760 . . 1 . . . . 14 THR HA . 26698 1 132 . 1 1 14 14 THR HB H 1 3.900 . . 1 . . . . 14 THR HB . 26698 1 133 . 1 1 14 14 THR HG21 H 1 1.220 . . 1 . . . . 14 THR HG21 . 26698 1 134 . 1 1 14 14 THR HG22 H 1 1.220 . . 1 . . . . 14 THR HG21 . 26698 1 135 . 1 1 14 14 THR HG23 H 1 1.220 . . 1 . . . . 14 THR HG21 . 26698 1 136 . 1 1 14 14 THR CA C 13 61.700 . . 1 . . . . 14 THR CA . 26698 1 137 . 1 1 14 14 THR CB C 13 70.100 . . 1 . . . . 14 THR CB . 26698 1 138 . 1 1 14 14 THR CG2 C 13 21.530 . . 1 . . . . 14 THR CG2 . 26698 1 139 . 1 1 14 14 THR N N 15 114.815 . . 1 . . . . 14 THR N . 26698 1 140 . 1 1 15 15 HIS H H 1 9.710 . . 1 . . . . 15 HIS HN . 26698 1 141 . 1 1 15 15 HIS HA H 1 5.019 . . 1 . . . . 15 HIS HA . 26698 1 142 . 1 1 15 15 HIS HB2 H 1 3.300 . . 2 . . . . 15 HIS HB1 . 26698 1 143 . 1 1 15 15 HIS HB3 H 1 3.680 . . 2 . . . . 15 HIS HB2 . 26698 1 144 . 1 1 15 15 HIS CA C 13 55.700 . . 1 . . . . 15 HIS CA . 26698 1 145 . 1 1 15 15 HIS CB C 13 32.170 . . 1 . . . . 15 HIS CB . 26698 1 146 . 1 1 15 15 HIS CD2 C 13 115.200 . . 1 . . . . 15 HIS CD2 . 26698 1 147 . 1 1 15 15 HIS N N 15 128.550 . . 1 . . . . 15 HIS N . 26698 1 148 . 1 1 16 16 THR HA H 1 3.950 . . 1 . . . . 16 THR HA . 26698 1 149 . 1 1 16 16 THR HB H 1 4.100 . . 1 . . . . 16 THR HB . 26698 1 150 . 1 1 16 16 THR HG21 H 1 1.210 . . 1 . . . . 16 THR HG21 . 26698 1 151 . 1 1 16 16 THR HG22 H 1 1.210 . . 1 . . . . 16 THR HG21 . 26698 1 152 . 1 1 16 16 THR HG23 H 1 1.210 . . 1 . . . . 16 THR HG21 . 26698 1 153 . 1 1 16 16 THR CA C 13 64.800 . . 1 . . . . 16 THR CA . 26698 1 154 . 1 1 16 16 THR CB C 13 68.500 . . 1 . . . . 16 THR CB . 26698 1 155 . 1 1 16 16 THR CG2 C 13 21.900 . . 1 . . . . 16 THR CG2 . 26698 1 156 . 1 1 17 17 ASP H H 1 8.490 . . 1 . . . . 17 ASP HN . 26698 1 157 . 1 1 17 17 ASP HA H 1 4.550 . . 1 . . . . 17 ASP HA . 26698 1 158 . 1 1 17 17 ASP HB2 H 1 2.570 . . 2 . . . . 17 ASP HB1 . 26698 1 159 . 1 1 17 17 ASP HB3 H 1 3.091 . . 2 . . . . 17 ASP HB2 . 26698 1 160 . 1 1 17 17 ASP CA C 13 53.450 . . 1 . . . . 17 ASP CA . 26698 1 161 . 1 1 17 17 ASP CB C 13 40.500 . . 1 . . . . 17 ASP CB . 26698 1 162 . 1 1 17 17 ASP N N 15 121.150 . . 1 . . . . 17 ASP N . 26698 1 163 . 1 1 18 18 GLY H H 1 8.162 . . 1 . . . . 18 GLY HN . 26698 1 164 . 1 1 18 18 GLY HA2 H 1 3.550 . . 2 . . . . 18 GLY HA1 . 26698 1 165 . 1 1 18 18 GLY HA3 H 1 4.380 . . 2 . . . . 18 GLY HA2 . 26698 1 166 . 1 1 18 18 GLY CA C 13 45.000 . . 1 . . . . 18 GLY CA . 26698 1 167 . 1 1 18 18 GLY N N 15 109.580 . . 1 . . . . 18 GLY N . 26698 1 168 . 1 1 19 19 ARG H H 1 8.186 . . 1 . . . . 19 ARG HN . 26698 1 169 . 1 1 19 19 ARG HA H 1 4.400 . . 1 . . . . 19 ARG HA . 26698 1 170 . 1 1 19 19 ARG HB2 H 1 2.000 . . 2 . . . . 19 ARG HB1 . 26698 1 171 . 1 1 19 19 ARG HB3 H 1 2.208 . . 2 . . . . 19 ARG HB2 . 26698 1 172 . 1 1 19 19 ARG HG2 H 1 1.670 . . 2 . . . . 19 ARG HG1 . 26698 1 173 . 1 1 19 19 ARG HG3 H 1 1.670 . . 2 . . . . 19 ARG HG2 . 26698 1 174 . 1 1 19 19 ARG HD2 H 1 2.780 . . 2 . . . . 19 ARG HD1 . 26698 1 175 . 1 1 19 19 ARG HD3 H 1 2.970 . . 2 . . . . 19 ARG HD2 . 26698 1 176 . 1 1 19 19 ARG CA C 13 57.200 . . 1 . . . . 19 ARG CA . 26698 1 177 . 1 1 19 19 ARG CB C 13 32.500 . . 1 . . . . 19 ARG CB . 26698 1 178 . 1 1 19 19 ARG CG C 13 27.670 . . 1 . . . . 19 ARG CG . 26698 1 179 . 1 1 19 19 ARG CD C 13 43.600 . . 1 . . . . 19 ARG CD . 26698 1 180 . 1 1 19 19 ARG N N 15 122.570 . . 1 . . . . 19 ARG N . 26698 1 181 . 1 1 20 20 VAL H H 1 8.350 . . 1 . . . . 20 VAL HN . 26698 1 182 . 1 1 20 20 VAL HA H 1 4.790 . . 1 . . . . 20 VAL HA . 26698 1 183 . 1 1 20 20 VAL HB H 1 1.880 . . 1 . . . . 20 VAL HB . 26698 1 184 . 1 1 20 20 VAL HG11 H 1 0.680 . . 2 . . . . 20 VAL HG11 . 26698 1 185 . 1 1 20 20 VAL HG12 H 1 0.680 . . 2 . . . . 20 VAL HG11 . 26698 1 186 . 1 1 20 20 VAL HG13 H 1 0.680 . . 2 . . . . 20 VAL HG11 . 26698 1 187 . 1 1 20 20 VAL HG21 H 1 0.945 . . 2 . . . . 20 VAL HG21 . 26698 1 188 . 1 1 20 20 VAL HG22 H 1 0.945 . . 2 . . . . 20 VAL HG21 . 26698 1 189 . 1 1 20 20 VAL HG23 H 1 0.945 . . 2 . . . . 20 VAL HG21 . 26698 1 190 . 1 1 20 20 VAL CA C 13 61.600 . . 1 . . . . 20 VAL CA . 26698 1 191 . 1 1 20 20 VAL CB C 13 33.360 . . 1 . . . . 20 VAL CB . 26698 1 192 . 1 1 20 20 VAL CG1 C 13 21.500 . . 1 . . . . 20 VAL CG1 . 26698 1 193 . 1 1 20 20 VAL CG2 C 13 21.500 . . 1 . . . . 20 VAL CG2 . 26698 1 194 . 1 1 20 20 VAL N N 15 123.560 . . 1 . . . . 20 VAL N . 26698 1 195 . 1 1 21 21 PHE H H 1 8.620 . . 1 . . . . 21 PHE HN . 26698 1 196 . 1 1 21 21 PHE HA H 1 4.760 . . 1 . . . . 21 PHE HA . 26698 1 197 . 1 1 21 21 PHE HB2 H 1 2.302 . . 2 . . . . 21 PHE HB1 . 26698 1 198 . 1 1 21 21 PHE HB3 H 1 2.439 . . 2 . . . . 21 PHE HB2 . 26698 1 199 . 1 1 21 21 PHE CA C 13 55.300 . . 1 . . . . 21 PHE CA . 26698 1 200 . 1 1 21 21 PHE CB C 13 40.000 . . 1 . . . . 21 PHE CB . 26698 1 201 . 1 1 21 21 PHE CD1 C 13 128.800 . . 3 . . . . 21 PHE CD1 . 26698 1 202 . 1 1 21 21 PHE CD2 C 13 128.800 . . 3 . . . . 21 PHE CD2 . 26698 1 203 . 1 1 21 21 PHE CE1 C 13 126.800 . . 3 . . . . 21 PHE CE1 . 26698 1 204 . 1 1 21 21 PHE CE2 C 13 126.800 . . 3 . . . . 21 PHE CE2 . 26698 1 205 . 1 1 21 21 PHE CZ C 13 126.800 . . 1 . . . . 21 PHE CZ . 26698 1 206 . 1 1 21 21 PHE N N 15 122.500 . . 1 . . . . 21 PHE N . 26698 1 207 . 1 1 22 22 PHE H H 1 8.691 . . 1 . . . . 22 PHE HN . 26698 1 208 . 1 1 22 22 PHE HA H 1 5.435 . . 1 . . . . 22 PHE HA . 26698 1 209 . 1 1 22 22 PHE HB2 H 1 2.830 . . 2 . . . . 22 PHE HB1 . 26698 1 210 . 1 1 22 22 PHE HB3 H 1 3.140 . . 2 . . . . 22 PHE HB2 . 26698 1 211 . 1 1 22 22 PHE CA C 13 56.660 . . 1 . . . . 22 PHE CA . 26698 1 212 . 1 1 22 22 PHE CB C 13 42.700 . . 1 . . . . 22 PHE CB . 26698 1 213 . 1 1 22 22 PHE CD1 C 13 128.800 . . 3 . . . . 22 PHE CD1 . 26698 1 214 . 1 1 22 22 PHE CD2 C 13 128.800 . . 3 . . . . 22 PHE CD2 . 26698 1 215 . 1 1 22 22 PHE CE1 C 13 127.860 . . 3 . . . . 22 PHE CE1 . 26698 1 216 . 1 1 22 22 PHE CE2 C 13 127.860 . . 3 . . . . 22 PHE CE2 . 26698 1 217 . 1 1 22 22 PHE N N 15 117.108 . . 1 . . . . 22 PHE N . 26698 1 218 . 1 1 23 23 ILE H H 1 9.245 . . 1 . . . . 23 ILE HN . 26698 1 219 . 1 1 23 23 ILE HA H 1 4.960 . . 1 . . . . 23 ILE HA . 26698 1 220 . 1 1 23 23 ILE HB H 1 1.410 . . 1 . . . . 23 ILE HB . 26698 1 221 . 1 1 23 23 ILE HG12 H 1 0.619 . . 1 . . . . 23 ILE HG11 . 26698 1 222 . 1 1 23 23 ILE HG13 H 1 1.320 . . 1 . . . . 23 ILE HG12 . 26698 1 223 . 1 1 23 23 ILE HG21 H 1 0.446 . . 1 . . . . 23 ILE HG21 . 26698 1 224 . 1 1 23 23 ILE HG22 H 1 0.446 . . 1 . . . . 23 ILE HG21 . 26698 1 225 . 1 1 23 23 ILE HG23 H 1 0.446 . . 1 . . . . 23 ILE HG21 . 26698 1 226 . 1 1 23 23 ILE HD11 H 1 0.651 . . 1 . . . . 23 ILE HD11 . 26698 1 227 . 1 1 23 23 ILE HD12 H 1 0.651 . . 1 . . . . 23 ILE HD11 . 26698 1 228 . 1 1 23 23 ILE HD13 H 1 0.651 . . 1 . . . . 23 ILE HD11 . 26698 1 229 . 1 1 23 23 ILE CA C 13 59.100 . . 1 . . . . 23 ILE CA . 26698 1 230 . 1 1 23 23 ILE CB C 13 42.500 . . 1 . . . . 23 ILE CB . 26698 1 231 . 1 1 23 23 ILE CG1 C 13 27.630 . . 1 . . . . 23 ILE CG1 . 26698 1 232 . 1 1 23 23 ILE CG2 C 13 16.600 . . 1 . . . . 23 ILE CG2 . 26698 1 233 . 1 1 23 23 ILE CD1 C 13 14.560 . . 1 . . . . 23 ILE CD1 . 26698 1 234 . 1 1 23 23 ILE N N 15 121.800 . . 1 . . . . 23 ILE N . 26698 1 235 . 1 1 24 24 ASN H H 1 8.358 . . 1 . . . . 24 ASN HN . 26698 1 236 . 1 1 24 24 ASN HA H 1 4.340 . . 1 . . . . 24 ASN HA . 26698 1 237 . 1 1 24 24 ASN HB2 H 1 -0.091 . . 2 . . . . 24 ASN HB1 . 26698 1 238 . 1 1 24 24 ASN HB3 H 1 1.738 . . 2 . . . . 24 ASN HB2 . 26698 1 239 . 1 1 24 24 ASN HD21 H 1 6.940 . . 2 . . . . 24 ASN HD21 . 26698 1 240 . 1 1 24 24 ASN HD22 H 1 8.08 . . 2 . . . . 24 ASN HD22 . 26698 1 241 . 1 1 24 24 ASN CA C 13 50.790 . . 1 . . . . 24 ASN CA . 26698 1 242 . 1 1 24 24 ASN CB C 13 37.100 . . 1 . . . . 24 ASN CB . 26698 1 243 . 1 1 24 24 ASN N N 15 125.030 . . 1 . . . . 24 ASN N . 26698 1 244 . 1 1 24 24 ASN ND2 N 15 110.809 . . 1 . . . . 24 ASN ND2 . 26698 1 245 . 1 1 25 25 HIS H H 1 8.610 . . 1 . . . . 25 HIS HN . 26698 1 246 . 1 1 25 25 HIS HA H 1 4.216 . . 1 . . . . 25 HIS HA . 26698 1 247 . 1 1 25 25 HIS HB2 H 1 3.035 . . 2 . . . . 25 HIS HB1 . 26698 1 248 . 1 1 25 25 HIS HB3 H 1 3.035 . . 2 . . . . 25 HIS HB2 . 26698 1 249 . 1 1 25 25 HIS CA C 13 58.660 . . 1 . . . . 25 HIS CA . 26698 1 250 . 1 1 25 25 HIS CB C 13 30.700 . . 1 . . . . 25 HIS CB . 26698 1 251 . 1 1 25 25 HIS CD2 C 13 115.500 . . 1 . . . . 25 HIS CD2 . 26698 1 252 . 1 1 25 25 HIS N N 15 125.140 . . 1 . . . . 25 HIS N . 26698 1 253 . 1 1 26 26 ASN H H 1 8.348 . . 1 . . . . 26 ASN HN . 26698 1 254 . 1 1 26 26 ASN HA H 1 4.420 . . 1 . . . . 26 ASN HA . 26698 1 255 . 1 1 26 26 ASN HB2 H 1 2.740 . . 2 . . . . 26 ASN HB1 . 26698 1 256 . 1 1 26 26 ASN HB3 H 1 2.930 . . 2 . . . . 26 ASN HB2 . 26698 1 257 . 1 1 26 26 ASN HD21 H 1 7.510 . . 2 . . . . 26 ASN HD21 . 26698 1 258 . 1 1 26 26 ASN HD22 H 1 7.220 . . 2 . . . . 26 ASN HD22 . 26698 1 259 . 1 1 26 26 ASN CA C 13 56.000 . . 1 . . . . 26 ASN CA . 26698 1 260 . 1 1 26 26 ASN CB C 13 38.300 . . 1 . . . . 26 ASN CB . 26698 1 261 . 1 1 26 26 ASN N N 15 118.770 . . 1 . . . . 26 ASN N . 26698 1 262 . 1 1 26 26 ASN ND2 N 15 115.100 . . 1 . . . . 26 ASN ND2 . 26698 1 263 . 1 1 27 27 ILE H H 1 6.740 . . 1 . . . . 27 ILE HN . 26698 1 264 . 1 1 27 27 ILE HA H 1 4.375 . . 1 . . . . 27 ILE HA . 26698 1 265 . 1 1 27 27 ILE HB H 1 1.980 . . 1 . . . . 27 ILE HB . 26698 1 266 . 1 1 27 27 ILE HG12 H 1 0.600 . . 1 . . . . 27 ILE HG11 . 26698 1 267 . 1 1 27 27 ILE HG13 H 1 0.970 . . 1 . . . . 27 ILE HG12 . 26698 1 268 . 1 1 27 27 ILE HG21 H 1 0.734 . . 1 . . . . 27 ILE HG21 . 26698 1 269 . 1 1 27 27 ILE HG22 H 1 0.734 . . 1 . . . . 27 ILE HG21 . 26698 1 270 . 1 1 27 27 ILE HG23 H 1 0.734 . . 1 . . . . 27 ILE HG21 . 26698 1 271 . 1 1 27 27 ILE HD11 H 1 0.747 . . 1 . . . . 27 ILE HD11 . 26698 1 272 . 1 1 27 27 ILE HD12 H 1 0.747 . . 1 . . . . 27 ILE HD11 . 26698 1 273 . 1 1 27 27 ILE HD13 H 1 0.747 . . 1 . . . . 27 ILE HD11 . 26698 1 274 . 1 1 27 27 ILE CA C 13 60.330 . . 1 . . . . 27 ILE CA . 26698 1 275 . 1 1 27 27 ILE CB C 13 38.200 . . 1 . . . . 27 ILE CB . 26698 1 276 . 1 1 27 27 ILE CG1 C 13 25.600 . . 1 . . . . 27 ILE CG1 . 26698 1 277 . 1 1 27 27 ILE CG2 C 13 17.400 . . 1 . . . . 27 ILE CG2 . 26698 1 278 . 1 1 27 27 ILE CD1 C 13 13.750 . . 1 . . . . 27 ILE CD1 . 26698 1 279 . 1 1 28 28 LYS H H 1 7.520 . . 1 . . . . 28 LYS HN . 26698 1 280 . 1 1 28 28 LYS HA H 1 3.740 . . 1 . . . . 28 LYS HA . 26698 1 281 . 1 1 28 28 LYS HB2 H 1 1.720 . . 2 . . . . 28 LYS HB1 . 26698 1 282 . 1 1 28 28 LYS HB3 H 1 2.000 . . 2 . . . . 28 LYS HB2 . 26698 1 283 . 1 1 28 28 LYS HG2 H 1 1.246 . . 2 . . . . 28 LYS HG1 . 26698 1 284 . 1 1 28 28 LYS HG3 H 1 1.246 . . 2 . . . . 28 LYS HG2 . 26698 1 285 . 1 1 28 28 LYS CA C 13 57.000 . . 1 . . . . 28 LYS CA . 26698 1 286 . 1 1 28 28 LYS CB C 13 29.000 . . 1 . . . . 28 LYS CB . 26698 1 287 . 1 1 28 28 LYS CG C 13 24.800 . . 1 . . . . 28 LYS CG . 26698 1 288 . 1 1 28 28 LYS N N 15 120.828 . . 1 . . . . 28 LYS N . 26698 1 289 . 1 1 29 29 LYS H H 1 7.420 . . 1 . . . . 29 LYS HN . 26698 1 290 . 1 1 29 29 LYS HA H 1 4.764 . . 1 . . . . 29 LYS HA . 26698 1 291 . 1 1 29 29 LYS HB2 H 1 1.471 . . 2 . . . . 29 LYS HB1 . 26698 1 292 . 1 1 29 29 LYS HB3 H 1 1.606 . . 2 . . . . 29 LYS HB2 . 26698 1 293 . 1 1 29 29 LYS HG2 H 1 1.400 . . 2 . . . . 29 LYS HG1 . 26698 1 294 . 1 1 29 29 LYS HG3 H 1 1.410 . . 2 . . . . 29 LYS HG2 . 26698 1 295 . 1 1 29 29 LYS CA C 13 54.800 . . 1 . . . . 29 LYS CA . 26698 1 296 . 1 1 29 29 LYS CB C 13 37.500 . . 1 . . . . 29 LYS CB . 26698 1 297 . 1 1 29 29 LYS CG C 13 25.200 . . 1 . . . . 29 LYS CG . 26698 1 298 . 1 1 29 29 LYS N N 15 120.225 . . 1 . . . . 29 LYS N . 26698 1 299 . 1 1 30 30 THR H H 1 8.350 . . 1 . . . . 30 THR HN . 26698 1 300 . 1 1 30 30 THR HA H 1 5.290 . . 1 . . . . 30 THR HA . 26698 1 301 . 1 1 30 30 THR HB H 1 3.872 . . 1 . . . . 30 THR HB . 26698 1 302 . 1 1 30 30 THR HG21 H 1 0.980 . . 1 . . . . 30 THR HG21 . 26698 1 303 . 1 1 30 30 THR HG22 H 1 0.980 . . 1 . . . . 30 THR HG21 . 26698 1 304 . 1 1 30 30 THR HG23 H 1 0.980 . . 1 . . . . 30 THR HG21 . 26698 1 305 . 1 1 30 30 THR CA C 13 60.880 . . 1 . . . . 30 THR CA . 26698 1 306 . 1 1 30 30 THR CB C 13 70.940 . . 1 . . . . 30 THR CB . 26698 1 307 . 1 1 30 30 THR CG2 C 13 21.930 . . 1 . . . . 30 THR CG2 . 26698 1 308 . 1 1 30 30 THR N N 15 119.610 . . 1 . . . . 30 THR N . 26698 1 309 . 1 1 31 31 GLN H H 1 9.440 . . 1 . . . . 31 GLN HN . 26698 1 310 . 1 1 31 31 GLN HA H 1 4.920 . . 1 . . . . 31 GLN HA . 26698 1 311 . 1 1 31 31 GLN HB2 H 1 2.310 . . 2 . . . . 31 GLN HB1 . 26698 1 312 . 1 1 31 31 GLN HB3 H 1 2.660 . . 2 . . . . 31 GLN HB2 . 26698 1 313 . 1 1 31 31 GLN HG2 H 1 2.410 . . 2 . . . . 31 GLN HG1 . 26698 1 314 . 1 1 31 31 GLN HG3 H 1 2.410 . . 2 . . . . 31 GLN HG2 . 26698 1 315 . 1 1 31 31 GLN HE21 H 1 7.651 . . 2 . . . . 31 GLN HE21 . 26698 1 316 . 1 1 31 31 GLN HE22 H 1 6.850 . . 2 . . . . 31 GLN HE22 . 26698 1 317 . 1 1 31 31 GLN CA C 13 54.570 . . 1 . . . . 31 GLN CA . 26698 1 318 . 1 1 31 31 GLN CB C 13 32.100 . . 1 . . . . 31 GLN CB . 26698 1 319 . 1 1 31 31 GLN CG C 13 32.100 . . 1 . . . . 31 GLN CG . 26698 1 320 . 1 1 31 31 GLN N N 15 120.480 . . 1 . . . . 31 GLN N . 26698 1 321 . 1 1 31 31 GLN NE2 N 15 114.800 . . 1 . . . . 31 GLN NE2 . 26698 1 322 . 1 1 32 32 TRP H H 1 8.710 . . 1 . . . . 32 TRP HN . 26698 1 323 . 1 1 32 32 TRP HA H 1 4.896 . . 1 . . . . 32 TRP HA . 26698 1 324 . 1 1 32 32 TRP HB2 H 1 3.080 . . 2 . . . . 32 TRP HB1 . 26698 1 325 . 1 1 32 32 TRP HB3 H 1 3.580 . . 2 . . . . 32 TRP HB2 . 26698 1 326 . 1 1 32 32 TRP HE1 H 1 9.960 . . 3 . . . . 32 TRP HE1 . 26698 1 327 . 1 1 32 32 TRP CA C 13 58.200 . . 1 . . . . 32 TRP CA . 26698 1 328 . 1 1 32 32 TRP CB C 13 30.220 . . 1 . . . . 32 TRP CB . 26698 1 329 . 1 1 32 32 TRP CD1 C 13 124.200 . . 1 . . . . 32 TRP CD1 . 26698 1 330 . 1 1 32 32 TRP CE3 C 13 118.100 . . 1 . . . . 32 TRP CE3 . 26698 1 331 . 1 1 32 32 TRP CZ2 C 13 110.400 . . 1 . . . . 32 TRP CZ2 . 26698 1 332 . 1 1 32 32 TRP CZ3 C 13 118.600 . . 1 . . . . 32 TRP CZ3 . 26698 1 333 . 1 1 32 32 TRP CH2 C 13 120.180 . . 1 . . . . 32 TRP CH2 . 26698 1 334 . 1 1 32 32 TRP N N 15 121.480 . . 1 . . . . 32 TRP N . 26698 1 335 . 1 1 32 32 TRP NE1 N 15 129.700 . . 1 . . . . 32 TRP NE1 . 26698 1 336 . 1 1 33 33 GLU H H 1 8.072 . . 1 . . . . 33 GLU HN . 26698 1 337 . 1 1 33 33 GLU HA H 1 4.240 . . 1 . . . . 33 GLU HA . 26698 1 338 . 1 1 33 33 GLU HB2 H 1 1.740 . . 2 . . . . 33 GLU HB1 . 26698 1 339 . 1 1 33 33 GLU HB3 H 1 1.880 . . 2 . . . . 33 GLU HB2 . 26698 1 340 . 1 1 33 33 GLU HG2 H 1 2.170 . . 2 . . . . 33 GLU HG1 . 26698 1 341 . 1 1 33 33 GLU HG3 H 1 2.340 . . 2 . . . . 33 GLU HG2 . 26698 1 342 . 1 1 33 33 GLU CA C 13 57.200 . . 1 . . . . 33 GLU CA . 26698 1 343 . 1 1 33 33 GLU CB C 13 29.550 . . 1 . . . . 33 GLU CB . 26698 1 344 . 1 1 33 33 GLU CG C 13 36.600 . . 1 . . . . 33 GLU CG . 26698 1 345 . 1 1 33 33 GLU N N 15 119.300 . . 1 . . . . 33 GLU N . 26698 1 346 . 1 1 34 34 ASP H H 1 8.350 . . 1 . . . . 34 ASP HN . 26698 1 347 . 1 1 34 34 ASP HA H 1 3.102 . . 1 . . . . 34 ASP HA . 26698 1 348 . 1 1 34 34 ASP HB2 H 1 2.300 . . 2 . . . . 34 ASP HB1 . 26698 1 349 . 1 1 34 34 ASP HB3 H 1 2.580 . . 2 . . . . 34 ASP HB2 . 26698 1 350 . 1 1 34 34 ASP CA C 13 50.720 . . 1 . . . . 34 ASP CA . 26698 1 351 . 1 1 34 34 ASP CB C 13 41.730 . . 1 . . . . 34 ASP CB . 26698 1 352 . 1 1 34 34 ASP N N 15 125.850 . . 1 . . . . 34 ASP N . 26698 1 353 . 1 1 35 35 PRO HA H 1 3.930 . . 1 . . . . 35 PRO HA . 26698 1 354 . 1 1 35 35 PRO HB2 H 1 0.760 . . 2 . . . . 35 PRO HB1 . 26698 1 355 . 1 1 35 35 PRO HB3 H 1 0.781 . . 2 . . . . 35 PRO HB2 . 26698 1 356 . 1 1 35 35 PRO HG2 H 1 0.190 . . 2 . . . . 35 PRO HG1 . 26698 1 357 . 1 1 35 35 PRO HG3 H 1 0.510 . . 2 . . . . 35 PRO HG2 . 26698 1 358 . 1 1 35 35 PRO HD2 H 1 2.500 . . 2 . . . . 35 PRO HD1 . 26698 1 359 . 1 1 35 35 PRO HD3 H 1 2.550 . . 2 . . . . 35 PRO HD2 . 26698 1 360 . 1 1 35 35 PRO CA C 13 63.100 . . 1 . . . . 35 PRO CA . 26698 1 361 . 1 1 35 35 PRO CB C 13 30.900 . . 1 . . . . 35 PRO CB . 26698 1 362 . 1 1 35 35 PRO CG C 13 26.030 . . 1 . . . . 35 PRO CG . 26698 1 363 . 1 1 35 35 PRO CD C 13 49.700 . . 1 . . . . 35 PRO CD . 26698 1 364 . 1 1 36 36 ARG H H 1 8.577 . . 1 . . . . 36 ARG HN . 26698 1 365 . 1 1 36 36 ARG HA H 1 3.873 . . 1 . . . . 36 ARG HA . 26698 1 366 . 1 1 36 36 ARG HB2 H 1 1.540 . . 2 . . . . 36 ARG HB1 . 26698 1 367 . 1 1 36 36 ARG HB3 H 1 1.800 . . 2 . . . . 36 ARG HB2 . 26698 1 368 . 1 1 36 36 ARG HG2 H 1 1.202 . . 2 . . . . 36 ARG HG1 . 26698 1 369 . 1 1 36 36 ARG HG3 H 1 1.714 . . 2 . . . . 36 ARG HG2 . 26698 1 370 . 1 1 36 36 ARG HD2 H 1 2.840 . . 2 . . . . 36 ARG HD2 . 26698 1 371 . 1 1 36 36 ARG CA C 13 57.200 . . 1 . . . . 36 ARG CA . 26698 1 372 . 1 1 36 36 ARG CB C 13 30.200 . . 1 . . . . 36 ARG CB . 26698 1 373 . 1 1 36 36 ARG CG C 13 27.670 . . 1 . . . . 36 ARG CG . 26698 1 374 . 1 1 36 36 ARG CD C 13 42.800 . . 1 . . . . 36 ARG CD . 26698 1 375 . 1 1 36 36 ARG N N 15 119.678 . . 1 . . . . 36 ARG N . 26698 1 376 . 1 1 37 37 MET H H 1 7.477 . . 1 . . . . 37 MET HN . 26698 1 377 . 1 1 37 37 MET HA H 1 4.380 . . 1 . . . . 37 MET HA . 26698 1 378 . 1 1 37 37 MET HB2 H 1 1.910 . . 2 . . . . 37 MET HB1 . 26698 1 379 . 1 1 37 37 MET HB3 H 1 2.110 . . 2 . . . . 37 MET HB2 . 26698 1 380 . 1 1 37 37 MET HG2 H 1 2.370 . . 2 . . . . 37 MET HG1 . 26698 1 381 . 1 1 37 37 MET HG3 H 1 2.480 . . 2 . . . . 37 MET HG2 . 26698 1 382 . 1 1 37 37 MET HE1 H 1 0.790 . . 1 . . . . 37 MET HE1 . 26698 1 383 . 1 1 37 37 MET HE2 H 1 0.790 . . 1 . . . . 37 MET HE1 . 26698 1 384 . 1 1 37 37 MET HE3 H 1 0.790 . . 1 . . . . 37 MET HE1 . 26698 1 385 . 1 1 37 37 MET CA C 13 55.000 . . 1 . . . . 37 MET CA . 26698 1 386 . 1 1 37 37 MET CB C 13 32.500 . . 1 . . . . 37 MET CB . 26698 1 387 . 1 1 37 37 MET CG C 13 32.500 . . 1 . . . . 37 MET CG . 26698 1 388 . 1 1 37 37 MET N N 15 118.110 . . 1 . . . . 37 MET N . 26698 1 389 . 1 1 38 38 GLN H H 1 7.680 . . 1 . . . . 38 GLN HN . 26698 1 390 . 1 1 38 38 GLN HA H 1 4.288 . . 1 . . . . 38 GLN HA . 26698 1 391 . 1 1 38 38 GLN HB2 H 1 2.040 . . 2 . . . . 38 GLN HB1 . 26698 1 392 . 1 1 38 38 GLN HB3 H 1 2.040 . . 2 . . . . 38 GLN HB2 . 26698 1 393 . 1 1 38 38 GLN HG2 H 1 2.270 . . 2 . . . . 38 GLN HG1 . 26698 1 394 . 1 1 38 38 GLN HG3 H 1 2.250 . . 2 . . . . 38 GLN HG2 . 26698 1 395 . 1 1 38 38 GLN HE21 H 1 7.500 . . 2 . . . . 38 GLN HE21 . 26698 1 396 . 1 1 38 38 GLN HE22 H 1 6.770 . . 2 . . . . 38 GLN HE22 . 26698 1 397 . 1 1 38 38 GLN CA C 13 55.500 . . 1 . . . . 38 GLN CA . 26698 1 398 . 1 1 38 38 GLN CB C 13 29.800 . . 1 . . . . 38 GLN CB . 26698 1 399 . 1 1 38 38 GLN CG C 13 33.800 . . 1 . . . . 38 GLN CG . 26698 1 400 . 1 1 38 38 GLN N N 15 121.700 . . 1 . . . . 38 GLN N . 26698 1 401 . 1 1 38 38 GLN NE2 N 15 113.800 . . 1 . . . . 38 GLN NE2 . 26698 1 402 . 1 1 39 39 ASN H H 1 7.980 . . 1 . . . . 39 ASN HN . 26698 1 403 . 1 1 39 39 ASN HA H 1 4.430 . . 1 . . . . 39 ASN HA . 26698 1 404 . 1 1 39 39 ASN HB2 H 1 2.602 . . 2 . . . . 39 ASN HB1 . 26698 1 405 . 1 1 39 39 ASN HB3 H 1 2.716 . . 2 . . . . 39 ASN HB2 . 26698 1 406 . 1 1 39 39 ASN HD21 H 1 7.430 . . 2 . . . . 39 ASN HD21 . 26698 1 407 . 1 1 39 39 ASN HD22 H 1 6.730 . . 2 . . . . 39 ASN HD22 . 26698 1 408 . 1 1 39 39 ASN CA C 13 54.800 . . 1 . . . . 39 ASN CA . 26698 1 409 . 1 1 39 39 ASN CB C 13 40.440 . . 1 . . . . 39 ASN CB . 26698 1 410 . 1 1 39 39 ASN N N 15 126.940 . . 1 . . . . 39 ASN N . 26698 1 411 . 1 1 39 39 ASN ND2 N 15 113.800 . . 1 . . . . 39 ASN ND2 . 26698 1 stop_ save_