data_25541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25541 _Entry.Title ; Solution structure of MyUb (1080-1122) of human Myosin VI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2016-03-07 _Entry.Original_release_date 2016-03-07 _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 Fahu He . . . . 25541 2 Kylie Walters . . . . 25541 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' . 25541 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MyUb . 25541 'Myosin VI' . 25541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 25541 '15N chemical shifts' 55 25541 '1H chemical shifts' 364 25541 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 . . 2016-08-25 2015-03-20 update BMRB 'update entry citation' 25541 1 . . 2016-03-07 2015-03-20 original author 'original release' 25541 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25542 'MyUb (1080-1131) of human Myosin VI' 25541 BMRB 25543 'human Myosin VI isoform3 (998-1071)' 25541 BMRB 25544 'human Myosin VI isoform3 (1050-1131)' 25541 BMRB 25545 'MyUb (1080-1122) of human Myosin VI with K63-diUb' 25541 PDB 2N0Z 'BMRB Entry Tracking System' 25541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26971995 _Citation.Full_citation . _Citation.Title ; Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 11 _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 2683 _Citation.Page_last 2694 _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 Fahu He . . . . 25541 1 2 Hans-Peter Wollscheid . . . . 25541 1 3 Urszula Nowicka . . . . 25541 1 4 Matteo Biancospino . . . . 25541 1 5 Eleonora Valentini . . . . 25541 1 6 Aaron Ehlinger . . . . 25541 1 7 Filippo Acconcia . . . . 25541 1 8 Elisa Magistrati . . . . 25541 1 9 Simona Polo . . . . 25541 1 10 Kylie Walters . J. . . 25541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25541 _Assembly.ID 1 _Assembly.Name 'MyUb (1080-1122) of human Myosin VI' _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 entity 1 $entity A . yes native no no . . . 25541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPLGSPNSGTKKYDLSKWKY AELRDTINTSCDIELLAACR EEFHRRLKVYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 8 residues (GPLGSPNS) are a tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5213.026 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot Q9UM54 . 'Myosin VI' . . . . . . . . . . . . . . 25541 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 -7 GLY . 25541 1 2 -6 PRO . 25541 1 3 -5 LEU . 25541 1 4 -4 GLY . 25541 1 5 -3 SER . 25541 1 6 -2 PRO . 25541 1 7 -1 ASN . 25541 1 8 0 SER . 25541 1 9 1 GLY . 25541 1 10 2 THR . 25541 1 11 3 LYS . 25541 1 12 4 LYS . 25541 1 13 5 TYR . 25541 1 14 6 ASP . 25541 1 15 7 LEU . 25541 1 16 8 SER . 25541 1 17 9 LYS . 25541 1 18 10 TRP . 25541 1 19 11 LYS . 25541 1 20 12 TYR . 25541 1 21 13 ALA . 25541 1 22 14 GLU . 25541 1 23 15 LEU . 25541 1 24 16 ARG . 25541 1 25 17 ASP . 25541 1 26 18 THR . 25541 1 27 19 ILE . 25541 1 28 20 ASN . 25541 1 29 21 THR . 25541 1 30 22 SER . 25541 1 31 23 CYS . 25541 1 32 24 ASP . 25541 1 33 25 ILE . 25541 1 34 26 GLU . 25541 1 35 27 LEU . 25541 1 36 28 LEU . 25541 1 37 29 ALA . 25541 1 38 30 ALA . 25541 1 39 31 CYS . 25541 1 40 32 ARG . 25541 1 41 33 GLU . 25541 1 42 34 GLU . 25541 1 43 35 PHE . 25541 1 44 36 HIS . 25541 1 45 37 ARG . 25541 1 46 38 ARG . 25541 1 47 39 LEU . 25541 1 48 40 LYS . 25541 1 49 41 VAL . 25541 1 50 42 TYR . 25541 1 51 43 HIS . 25541 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 25541 1 . PRO 2 2 25541 1 . LEU 3 3 25541 1 . GLY 4 4 25541 1 . SER 5 5 25541 1 . PRO 6 6 25541 1 . ASN 7 7 25541 1 . SER 8 8 25541 1 . GLY 9 9 25541 1 . THR 10 10 25541 1 . LYS 11 11 25541 1 . LYS 12 12 25541 1 . TYR 13 13 25541 1 . ASP 14 14 25541 1 . LEU 15 15 25541 1 . SER 16 16 25541 1 . LYS 17 17 25541 1 . TRP 18 18 25541 1 . LYS 19 19 25541 1 . TYR 20 20 25541 1 . ALA 21 21 25541 1 . GLU 22 22 25541 1 . LEU 23 23 25541 1 . ARG 24 24 25541 1 . ASP 25 25 25541 1 . THR 26 26 25541 1 . ILE 27 27 25541 1 . ASN 28 28 25541 1 . THR 29 29 25541 1 . SER 30 30 25541 1 . CYS 31 31 25541 1 . ASP 32 32 25541 1 . ILE 33 33 25541 1 . GLU 34 34 25541 1 . LEU 35 35 25541 1 . LEU 36 36 25541 1 . ALA 37 37 25541 1 . ALA 38 38 25541 1 . CYS 39 39 25541 1 . ARG 40 40 25541 1 . GLU 41 41 25541 1 . GLU 42 42 25541 1 . PHE 43 43 25541 1 . HIS 44 44 25541 1 . ARG 45 45 25541 1 . ARG 46 46 25541 1 . LEU 47 47 25541 1 . LYS 48 48 25541 1 . VAL 49 49 25541 1 . TYR 50 50 25541 1 . HIS 51 51 25541 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 25541 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25541 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 25541 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6p . . . 25541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.' _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 entity '[U-13C; U-15N]' . . 1 $entity . . 0.3 . . mM . . . . 25541 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 25541 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25541 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25541 1 5 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 25541 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25541 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25541 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 25541 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.' 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' 50 . mM 25541 1 pH 6.5 . pH 25541 1 pressure 1 . atm 25541 1 temperature 283 . K 25541 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25541 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25541 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25541 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25541 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25541 2 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 25541 _Software.ID 3 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 25541 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25541 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25541 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25541 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25541 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 25541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25541 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25541 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 25541 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25541 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25541 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 25541 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25541 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25541 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25541 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 25541 _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 '3D 1H-15N NOESY' . . . 25541 1 2 '3D 1H-13C NOESY' . . . 25541 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 1 1 GLY HA2 H 1 3.924 0.030 . 2 . . . . -7 GLY HA2 . 25541 1 2 . 1 1 1 1 GLY HA3 H 1 3.924 0.030 . 2 . . . . -7 GLY HA3 . 25541 1 3 . 1 1 1 1 GLY CA C 13 43.298 0.300 . 1 . . . . -7 GLY CA . 25541 1 4 . 1 1 2 2 PRO HA H 1 4.392 0.030 . 1 . . . . -6 PRO HA . 25541 1 5 . 1 1 2 2 PRO HB2 H 1 2.235 0.030 . 2 . . . . -6 PRO HB2 . 25541 1 6 . 1 1 2 2 PRO HB3 H 1 1.869 0.030 . 2 . . . . -6 PRO HB3 . 25541 1 7 . 1 1 2 2 PRO HG2 H 1 1.953 0.030 . 2 . . . . -6 PRO HG2 . 25541 1 8 . 1 1 2 2 PRO HG3 H 1 1.953 0.030 . 2 . . . . -6 PRO HG3 . 25541 1 9 . 1 1 2 2 PRO HD2 H 1 3.515 0.030 . 2 . . . . -6 PRO HD2 . 25541 1 10 . 1 1 2 2 PRO HD3 H 1 3.515 0.030 . 2 . . . . -6 PRO HD3 . 25541 1 11 . 1 1 2 2 PRO C C 13 174.211 0.300 . 1 . . . . -6 PRO C . 25541 1 12 . 1 1 2 2 PRO CA C 13 63.459 0.300 . 1 . . . . -6 PRO CA . 25541 1 13 . 1 1 2 2 PRO CB C 13 31.973 0.300 . 1 . . . . -6 PRO CB . 25541 1 14 . 1 1 2 2 PRO CG C 13 27.040 0.300 . 1 . . . . -6 PRO CG . 25541 1 15 . 1 1 2 2 PRO CD C 13 49.527 0.300 . 1 . . . . -6 PRO CD . 25541 1 16 . 1 1 3 3 LEU H H 1 8.595 0.030 . 1 . . . . -5 LEU H . 25541 1 17 . 1 1 3 3 LEU HA H 1 4.292 0.030 . 1 . . . . -5 LEU HA . 25541 1 18 . 1 1 3 3 LEU HB2 H 1 1.631 0.030 . 2 . . . . -5 LEU HB2 . 25541 1 19 . 1 1 3 3 LEU HB3 H 1 1.549 0.030 . 2 . . . . -5 LEU HB3 . 25541 1 20 . 1 1 3 3 LEU HG H 1 1.622 0.030 . 1 . . . . -5 LEU HG . 25541 1 21 . 1 1 3 3 LEU HD11 H 1 0.845 0.030 . 2 . . . . -5 LEU MD1 . 25541 1 22 . 1 1 3 3 LEU HD12 H 1 0.845 0.030 . 2 . . . . -5 LEU MD1 . 25541 1 23 . 1 1 3 3 LEU HD13 H 1 0.845 0.030 . 2 . . . . -5 LEU MD1 . 25541 1 24 . 1 1 3 3 LEU HD21 H 1 0.889 0.030 . 2 . . . . -5 LEU MD2 . 25541 1 25 . 1 1 3 3 LEU HD22 H 1 0.889 0.030 . 2 . . . . -5 LEU MD2 . 25541 1 26 . 1 1 3 3 LEU HD23 H 1 0.889 0.030 . 2 . . . . -5 LEU MD2 . 25541 1 27 . 1 1 3 3 LEU C C 13 175.091 0.300 . 1 . . . . -5 LEU C . 25541 1 28 . 1 1 3 3 LEU CA C 13 55.343 0.300 . 1 . . . . -5 LEU CA . 25541 1 29 . 1 1 3 3 LEU CB C 13 42.121 0.300 . 1 . . . . -5 LEU CB . 25541 1 30 . 1 1 3 3 LEU CG C 13 26.927 0.300 . 1 . . . . -5 LEU CG . 25541 1 31 . 1 1 3 3 LEU CD1 C 13 23.418 0.300 . 2 . . . . -5 LEU CD1 . 25541 1 32 . 1 1 3 3 LEU CD2 C 13 24.777 0.300 . 2 . . . . -5 LEU CD2 . 25541 1 33 . 1 1 3 3 LEU N N 15 122.658 0.300 . 1 . . . . -5 LEU N . 25541 1 34 . 1 1 4 4 GLY H H 1 8.463 0.030 . 1 . . . . -4 GLY H . 25541 1 35 . 1 1 4 4 GLY HA2 H 1 3.912 0.030 . 2 . . . . -4 GLY HA2 . 25541 1 36 . 1 1 4 4 GLY HA3 H 1 3.912 0.030 . 2 . . . . -4 GLY HA3 . 25541 1 37 . 1 1 4 4 GLY C C 13 170.952 0.300 . 1 . . . . -4 GLY C . 25541 1 38 . 1 1 4 4 GLY CA C 13 44.907 0.300 . 1 . . . . -4 GLY CA . 25541 1 39 . 1 1 4 4 GLY N N 15 110.030 0.300 . 1 . . . . -4 GLY N . 25541 1 40 . 1 1 5 5 SER H H 1 8.249 0.030 . 1 . . . . -3 SER H . 25541 1 41 . 1 1 5 5 SER HA H 1 4.728 0.030 . 1 . . . . -3 SER HA . 25541 1 42 . 1 1 5 5 SER HB2 H 1 3.811 0.030 . 2 . . . . -3 SER HB2 . 25541 1 43 . 1 1 5 5 SER HB3 H 1 3.811 0.030 . 2 . . . . -3 SER HB3 . 25541 1 44 . 1 1 5 5 SER C C 13 170.110 0.300 . 1 . . . . -3 SER C . 25541 1 45 . 1 1 5 5 SER CA C 13 56.341 0.300 . 1 . . . . -3 SER CA . 25541 1 46 . 1 1 5 5 SER CB C 13 63.261 0.300 . 1 . . . . -3 SER CB . 25541 1 47 . 1 1 5 5 SER N N 15 116.875 0.300 . 1 . . . . -3 SER N . 25541 1 48 . 1 1 6 6 PRO HA H 1 4.421 0.030 . 1 . . . . -2 PRO HA . 25541 1 49 . 1 1 6 6 PRO HB2 H 1 2.262 0.030 . 2 . . . . -2 PRO HB2 . 25541 1 50 . 1 1 6 6 PRO HB3 H 1 1.893 0.030 . 2 . . . . -2 PRO HB3 . 25541 1 51 . 1 1 6 6 PRO HG2 H 1 1.963 0.030 . 2 . . . . -2 PRO HG2 . 25541 1 52 . 1 1 6 6 PRO HG3 H 1 1.963 0.030 . 2 . . . . -2 PRO HG3 . 25541 1 53 . 1 1 6 6 PRO HD2 H 1 3.770 0.030 . 2 . . . . -2 PRO HD2 . 25541 1 54 . 1 1 6 6 PRO HD3 H 1 3.670 0.030 . 2 . . . . -2 PRO HD3 . 25541 1 55 . 1 1 6 6 PRO C C 13 173.913 0.300 . 1 . . . . -2 PRO C . 25541 1 56 . 1 1 6 6 PRO CA C 13 62.946 0.300 . 1 . . . . -2 PRO CA . 25541 1 57 . 1 1 6 6 PRO CB C 13 32.258 0.300 . 1 . . . . -2 PRO CB . 25541 1 58 . 1 1 6 6 PRO CG C 13 27.251 0.300 . 1 . . . . -2 PRO CG . 25541 1 59 . 1 1 6 6 PRO CD C 13 50.637 0.300 . 1 . . . . -2 PRO CD . 25541 1 60 . 1 1 7 7 ASN H H 1 8.581 0.030 . 1 . . . . -1 ASN H . 25541 1 61 . 1 1 7 7 ASN HA H 1 4.672 0.030 . 1 . . . . -1 ASN HA . 25541 1 62 . 1 1 7 7 ASN HB2 H 1 2.805 0.030 . 2 . . . . -1 ASN HB2 . 25541 1 63 . 1 1 7 7 ASN HB3 H 1 2.725 0.030 . 2 . . . . -1 ASN HB3 . 25541 1 64 . 1 1 7 7 ASN HD21 H 1 7.679 0.030 . 2 . . . . -1 ASN HD21 . 25541 1 65 . 1 1 7 7 ASN HD22 H 1 6.968 0.030 . 2 . . . . -1 ASN HD22 . 25541 1 66 . 1 1 7 7 ASN C C 13 172.507 0.300 . 1 . . . . -1 ASN C . 25541 1 67 . 1 1 7 7 ASN CA C 13 53.211 0.300 . 1 . . . . -1 ASN CA . 25541 1 68 . 1 1 7 7 ASN CB C 13 38.700 0.300 . 1 . . . . -1 ASN CB . 25541 1 69 . 1 1 7 7 ASN N N 15 118.641 0.300 . 1 . . . . -1 ASN N . 25541 1 70 . 1 1 7 7 ASN ND2 N 15 113.620 0.300 . 1 . . . . -1 ASN ND2 . 25541 1 71 . 1 1 8 8 SER H H 1 8.330 0.030 . 1 . . . . 0 SER H . 25541 1 72 . 1 1 8 8 SER HA H 1 4.380 0.030 . 1 . . . . 0 SER HA . 25541 1 73 . 1 1 8 8 SER HB2 H 1 3.890 0.030 . 2 . . . . 0 SER HB2 . 25541 1 74 . 1 1 8 8 SER HB3 H 1 3.822 0.030 . 2 . . . . 0 SER HB3 . 25541 1 75 . 1 1 8 8 SER C C 13 172.210 0.300 . 1 . . . . 0 SER C . 25541 1 76 . 1 1 8 8 SER CA C 13 58.659 0.300 . 1 . . . . 0 SER CA . 25541 1 77 . 1 1 8 8 SER CB C 13 63.734 0.300 . 1 . . . . 0 SER CB . 25541 1 78 . 1 1 8 8 SER N N 15 116.408 0.300 . 1 . . . . 0 SER N . 25541 1 79 . 1 1 9 9 GLY H H 1 8.533 0.030 . 1 . . . A 1 GLY H . 25541 1 80 . 1 1 9 9 GLY HA2 H 1 3.971 0.030 . 2 . . . A 1 GLY HA2 . 25541 1 81 . 1 1 9 9 GLY HA3 H 1 3.971 0.030 . 2 . . . A 1 GLY HA3 . 25541 1 82 . 1 1 9 9 GLY C C 13 171.455 0.300 . 1 . . . A 1 GLY C . 25541 1 83 . 1 1 9 9 GLY CA C 13 45.232 0.300 . 1 . . . A 1 GLY CA . 25541 1 84 . 1 1 9 9 GLY N N 15 110.919 0.300 . 1 . . . A 1 GLY N . 25541 1 85 . 1 1 10 10 THR H H 1 8.114 0.030 . 1 . . . A 2 THR H . 25541 1 86 . 1 1 10 10 THR HA H 1 4.241 0.030 . 1 . . . A 2 THR HA . 25541 1 87 . 1 1 10 10 THR HB H 1 4.108 0.030 . 1 . . . A 2 THR HB . 25541 1 88 . 1 1 10 10 THR HG21 H 1 1.137 0.030 . 1 . . . A 2 THR MG . 25541 1 89 . 1 1 10 10 THR HG22 H 1 1.137 0.030 . 1 . . . A 2 THR MG . 25541 1 90 . 1 1 10 10 THR HG23 H 1 1.137 0.030 . 1 . . . A 2 THR MG . 25541 1 91 . 1 1 10 10 THR C C 13 171.741 0.300 . 1 . . . A 2 THR C . 25541 1 92 . 1 1 10 10 THR CA C 13 62.002 0.300 . 1 . . . A 2 THR CA . 25541 1 93 . 1 1 10 10 THR CB C 13 69.796 0.300 . 1 . . . A 2 THR CB . 25541 1 94 . 1 1 10 10 THR CG2 C 13 21.604 0.300 . 1 . . . A 2 THR CG2 . 25541 1 95 . 1 1 10 10 THR N N 15 114.351 0.300 . 1 . . . A 2 THR N . 25541 1 96 . 1 1 11 11 LYS H H 1 8.436 0.030 . 1 . . . A 3 LYS H . 25541 1 97 . 1 1 11 11 LYS HA H 1 4.164 0.030 . 1 . . . A 3 LYS HA . 25541 1 98 . 1 1 11 11 LYS HB2 H 1 1.607 0.030 . 2 . . . A 3 LYS HB2 . 25541 1 99 . 1 1 11 11 LYS HB3 H 1 1.607 0.030 . 2 . . . A 3 LYS HB3 . 25541 1 100 . 1 1 11 11 LYS HG2 H 1 1.193 0.030 . 2 . . . A 3 LYS HG2 . 25541 1 101 . 1 1 11 11 LYS HG3 H 1 1.284 0.030 . 2 . . . A 3 LYS HG3 . 25541 1 102 . 1 1 11 11 LYS HD2 H 1 1.567 0.030 . 2 . . . A 3 LYS HD2 . 25541 1 103 . 1 1 11 11 LYS HD3 H 1 1.567 0.030 . 2 . . . A 3 LYS HD3 . 25541 1 104 . 1 1 11 11 LYS HE2 H 1 2.864 0.030 . 2 . . . A 3 LYS HE2 . 25541 1 105 . 1 1 11 11 LYS HE3 H 1 2.864 0.030 . 2 . . . A 3 LYS HE3 . 25541 1 106 . 1 1 11 11 LYS C C 13 172.964 0.300 . 1 . . . A 3 LYS C . 25541 1 107 . 1 1 11 11 LYS CA C 13 56.122 0.300 . 1 . . . A 3 LYS CA . 25541 1 108 . 1 1 11 11 LYS CB C 13 32.819 0.300 . 1 . . . A 3 LYS CB . 25541 1 109 . 1 1 11 11 LYS CG C 13 24.678 0.300 . 1 . . . A 3 LYS CG . 25541 1 110 . 1 1 11 11 LYS CD C 13 28.959 0.300 . 1 . . . A 3 LYS CD . 25541 1 111 . 1 1 11 11 LYS CE C 13 41.980 0.300 . 1 . . . A 3 LYS CE . 25541 1 112 . 1 1 11 11 LYS N N 15 124.677 0.300 . 1 . . . A 3 LYS N . 25541 1 113 . 1 1 12 12 LYS H H 1 8.239 0.030 . 1 . . . A 4 LYS H . 25541 1 114 . 1 1 12 12 LYS HA H 1 4.093 0.030 . 1 . . . A 4 LYS HA . 25541 1 115 . 1 1 12 12 LYS HB2 H 1 1.493 0.030 . 2 . . . A 4 LYS HB2 . 25541 1 116 . 1 1 12 12 LYS HB3 H 1 1.512 0.030 . 2 . . . A 4 LYS HB3 . 25541 1 117 . 1 1 12 12 LYS HG2 H 1 0.946 0.030 . 2 . . . A 4 LYS HG2 . 25541 1 118 . 1 1 12 12 LYS HG3 H 1 1.141 0.030 . 2 . . . A 4 LYS HG3 . 25541 1 119 . 1 1 12 12 LYS HD2 H 1 1.503 0.030 . 2 . . . A 4 LYS HD2 . 25541 1 120 . 1 1 12 12 LYS HD3 H 1 1.503 0.030 . 2 . . . A 4 LYS HD3 . 25541 1 121 . 1 1 12 12 LYS HE2 H 1 2.848 0.030 . 2 . . . A 4 LYS HE2 . 25541 1 122 . 1 1 12 12 LYS HE3 H 1 2.848 0.030 . 2 . . . A 4 LYS HE3 . 25541 1 123 . 1 1 12 12 LYS C C 13 173.147 0.300 . 1 . . . A 4 LYS C . 25541 1 124 . 1 1 12 12 LYS CA C 13 56.327 0.300 . 1 . . . A 4 LYS CA . 25541 1 125 . 1 1 12 12 LYS CB C 13 33.223 0.300 . 1 . . . A 4 LYS CB . 25541 1 126 . 1 1 12 12 LYS CG C 13 24.533 0.300 . 1 . . . A 4 LYS CG . 25541 1 127 . 1 1 12 12 LYS CD C 13 29.007 0.300 . 1 . . . A 4 LYS CD . 25541 1 128 . 1 1 12 12 LYS CE C 13 41.970 0.300 . 1 . . . A 4 LYS CE . 25541 1 129 . 1 1 12 12 LYS N N 15 123.337 0.300 . 1 . . . A 4 LYS N . 25541 1 130 . 1 1 13 13 TYR H H 1 8.274 0.030 . 1 . . . A 5 TYR H . 25541 1 131 . 1 1 13 13 TYR HA H 1 4.401 0.030 . 1 . . . A 5 TYR HA . 25541 1 132 . 1 1 13 13 TYR HB2 H 1 2.512 0.030 . 2 . . . A 5 TYR HB2 . 25541 1 133 . 1 1 13 13 TYR HB3 H 1 2.523 0.030 . 2 . . . A 5 TYR HB3 . 25541 1 134 . 1 1 13 13 TYR HD1 H 1 6.927 0.030 . 3 . . . A 5 TYR HD1 . 25541 1 135 . 1 1 13 13 TYR HD2 H 1 6.927 0.030 . 3 . . . A 5 TYR HD2 . 25541 1 136 . 1 1 13 13 TYR HE1 H 1 6.624 0.030 . 3 . . . A 5 TYR HE1 . 25541 1 137 . 1 1 13 13 TYR HE2 H 1 6.624 0.030 . 3 . . . A 5 TYR HE2 . 25541 1 138 . 1 1 13 13 TYR C C 13 172.016 0.300 . 1 . . . A 5 TYR C . 25541 1 139 . 1 1 13 13 TYR CA C 13 57.325 0.300 . 1 . . . A 5 TYR CA . 25541 1 140 . 1 1 13 13 TYR CB C 13 39.864 0.300 . 1 . . . A 5 TYR CB . 25541 1 141 . 1 1 13 13 TYR CD1 C 13 133.097 0.300 . 3 . . . A 5 TYR CD1 . 25541 1 142 . 1 1 13 13 TYR CD2 C 13 133.097 0.300 . 3 . . . A 5 TYR CD2 . 25541 1 143 . 1 1 13 13 TYR CE1 C 13 117.838 0.300 . 3 . . . A 5 TYR CE1 . 25541 1 144 . 1 1 13 13 TYR CE2 C 13 117.838 0.300 . 3 . . . A 5 TYR CE2 . 25541 1 145 . 1 1 13 13 TYR N N 15 119.233 0.300 . 1 . . . A 5 TYR N . 25541 1 146 . 1 1 14 14 ASP H H 1 8.603 0.030 . 1 . . . A 6 ASP H . 25541 1 147 . 1 1 14 14 ASP HA H 1 4.677 0.030 . 1 . . . A 6 ASP HA . 25541 1 148 . 1 1 14 14 ASP HB2 H 1 2.503 0.030 . 2 . . . A 6 ASP HB2 . 25541 1 149 . 1 1 14 14 ASP HB3 H 1 2.854 0.030 . 2 . . . A 6 ASP HB3 . 25541 1 150 . 1 1 14 14 ASP C C 13 173.276 0.300 . 1 . . . A 6 ASP C . 25541 1 151 . 1 1 14 14 ASP CA C 13 52.719 0.300 . 1 . . . A 6 ASP CA . 25541 1 152 . 1 1 14 14 ASP CB C 13 40.205 0.300 . 1 . . . A 6 ASP CB . 25541 1 153 . 1 1 14 14 ASP N N 15 120.486 0.300 . 1 . . . A 6 ASP N . 25541 1 154 . 1 1 15 15 LEU H H 1 8.901 0.030 . 1 . . . A 7 LEU H . 25541 1 155 . 1 1 15 15 LEU HA H 1 3.765 0.030 . 1 . . . A 7 LEU HA . 25541 1 156 . 1 1 15 15 LEU HB2 H 1 0.765 0.030 . 2 . . . A 7 LEU HB2 . 25541 1 157 . 1 1 15 15 LEU HB3 H 1 1.014 0.030 . 2 . . . A 7 LEU HB3 . 25541 1 158 . 1 1 15 15 LEU HG H 1 0.849 0.030 . 1 . . . A 7 LEU HG . 25541 1 159 . 1 1 15 15 LEU HD11 H 1 0.143 0.030 . 2 . . . A 7 LEU MD1 . 25541 1 160 . 1 1 15 15 LEU HD12 H 1 0.143 0.030 . 2 . . . A 7 LEU MD1 . 25541 1 161 . 1 1 15 15 LEU HD13 H 1 0.143 0.030 . 2 . . . A 7 LEU MD1 . 25541 1 162 . 1 1 15 15 LEU HD21 H 1 -0.652 0.030 . 2 . . . A 7 LEU MD2 . 25541 1 163 . 1 1 15 15 LEU HD22 H 1 -0.652 0.030 . 2 . . . A 7 LEU MD2 . 25541 1 164 . 1 1 15 15 LEU HD23 H 1 -0.652 0.030 . 2 . . . A 7 LEU MD2 . 25541 1 165 . 1 1 15 15 LEU C C 13 175.592 0.300 . 1 . . . A 7 LEU C . 25541 1 166 . 1 1 15 15 LEU CA C 13 53.255 0.300 . 1 . . . A 7 LEU CA . 25541 1 167 . 1 1 15 15 LEU CB C 13 39.967 0.300 . 1 . . . A 7 LEU CB . 25541 1 168 . 1 1 15 15 LEU CG C 13 26.156 0.300 . 1 . . . A 7 LEU CG . 25541 1 169 . 1 1 15 15 LEU CD1 C 13 26.903 0.300 . 2 . . . A 7 LEU CD1 . 25541 1 170 . 1 1 15 15 LEU CD2 C 13 20.451 0.300 . 2 . . . A 7 LEU CD2 . 25541 1 171 . 1 1 15 15 LEU N N 15 126.405 0.300 . 1 . . . A 7 LEU N . 25541 1 172 . 1 1 16 16 SER H H 1 8.112 0.030 . 1 . . . A 8 SER H . 25541 1 173 . 1 1 16 16 SER HA H 1 4.100 0.030 . 1 . . . A 8 SER HA . 25541 1 174 . 1 1 16 16 SER HB2 H 1 3.995 0.030 . 2 . . . A 8 SER HB2 . 25541 1 175 . 1 1 16 16 SER HB3 H 1 3.824 0.030 . 2 . . . A 8 SER HB3 . 25541 1 176 . 1 1 16 16 SER C C 13 173.247 0.300 . 1 . . . A 8 SER C . 25541 1 177 . 1 1 16 16 SER CA C 13 61.720 0.300 . 1 . . . A 8 SER CA . 25541 1 178 . 1 1 16 16 SER CB C 13 62.797 0.300 . 1 . . . A 8 SER CB . 25541 1 179 . 1 1 16 16 SER N N 15 116.540 0.300 . 1 . . . A 8 SER N . 25541 1 180 . 1 1 17 17 LYS H H 1 8.521 0.030 . 1 . . . A 9 LYS H . 25541 1 181 . 1 1 17 17 LYS HA H 1 4.501 0.030 . 1 . . . A 9 LYS HA . 25541 1 182 . 1 1 17 17 LYS HB2 H 1 1.742 0.030 . 2 . . . A 9 LYS HB2 . 25541 1 183 . 1 1 17 17 LYS HB3 H 1 2.088 0.030 . 2 . . . A 9 LYS HB3 . 25541 1 184 . 1 1 17 17 LYS HG2 H 1 1.372 0.030 . 2 . . . A 9 LYS HG2 . 25541 1 185 . 1 1 17 17 LYS HG3 H 1 1.484 0.030 . 2 . . . A 9 LYS HG3 . 25541 1 186 . 1 1 17 17 LYS HD2 H 1 1.618 0.030 . 2 . . . A 9 LYS HD2 . 25541 1 187 . 1 1 17 17 LYS HD3 H 1 1.618 0.030 . 2 . . . A 9 LYS HD3 . 25541 1 188 . 1 1 17 17 LYS HE2 H 1 2.971 0.030 . 2 . . . A 9 LYS HE2 . 25541 1 189 . 1 1 17 17 LYS HE3 H 1 2.971 0.030 . 2 . . . A 9 LYS HE3 . 25541 1 190 . 1 1 17 17 LYS C C 13 175.079 0.300 . 1 . . . A 9 LYS C . 25541 1 191 . 1 1 17 17 LYS CA C 13 55.267 0.300 . 1 . . . A 9 LYS CA . 25541 1 192 . 1 1 17 17 LYS CB C 13 31.977 0.300 . 1 . . . A 9 LYS CB . 25541 1 193 . 1 1 17 17 LYS CG C 13 25.044 0.300 . 1 . . . A 9 LYS CG . 25541 1 194 . 1 1 17 17 LYS CD C 13 28.605 0.300 . 1 . . . A 9 LYS CD . 25541 1 195 . 1 1 17 17 LYS CE C 13 42.095 0.300 . 1 . . . A 9 LYS CE . 25541 1 196 . 1 1 17 17 LYS N N 15 118.008 0.300 . 1 . . . A 9 LYS N . 25541 1 197 . 1 1 18 18 TRP H H 1 7.853 0.030 . 1 . . . A 10 TRP H . 25541 1 198 . 1 1 18 18 TRP HA H 1 4.578 0.030 . 1 . . . A 10 TRP HA . 25541 1 199 . 1 1 18 18 TRP HB2 H 1 3.164 0.030 . 2 . . . A 10 TRP HB2 . 25541 1 200 . 1 1 18 18 TRP HB3 H 1 3.196 0.030 . 2 . . . A 10 TRP HB3 . 25541 1 201 . 1 1 18 18 TRP HD1 H 1 7.147 0.030 . 1 . . . A 10 TRP HD1 . 25541 1 202 . 1 1 18 18 TRP HE1 H 1 10.203 0.030 . 1 . . . A 10 TRP HE1 . 25541 1 203 . 1 1 18 18 TRP HE3 H 1 7.054 0.030 . 1 . . . A 10 TRP HE3 . 25541 1 204 . 1 1 18 18 TRP HZ2 H 1 7.296 0.030 . 1 . . . A 10 TRP HZ2 . 25541 1 205 . 1 1 18 18 TRP HZ3 H 1 7.067 0.030 . 1 . . . A 10 TRP HZ3 . 25541 1 206 . 1 1 18 18 TRP HH2 H 1 7.004 0.030 . 1 . . . A 10 TRP HH2 . 25541 1 207 . 1 1 18 18 TRP C C 13 174.862 0.300 . 1 . . . A 10 TRP C . 25541 1 208 . 1 1 18 18 TRP CA C 13 58.371 0.300 . 1 . . . A 10 TRP CA . 25541 1 209 . 1 1 18 18 TRP CB C 13 28.544 0.300 . 1 . . . A 10 TRP CB . 25541 1 210 . 1 1 18 18 TRP CD1 C 13 123.553 0.300 . 1 . . . A 10 TRP CD1 . 25541 1 211 . 1 1 18 18 TRP CE3 C 13 119.354 0.300 . 1 . . . A 10 TRP CE3 . 25541 1 212 . 1 1 18 18 TRP CZ2 C 13 114.910 0.300 . 1 . . . A 10 TRP CZ2 . 25541 1 213 . 1 1 18 18 TRP CZ3 C 13 121.873 0.300 . 1 . . . A 10 TRP CZ3 . 25541 1 214 . 1 1 18 18 TRP CH2 C 13 124.555 0.300 . 1 . . . A 10 TRP CH2 . 25541 1 215 . 1 1 18 18 TRP N N 15 122.041 0.300 . 1 . . . A 10 TRP N . 25541 1 216 . 1 1 18 18 TRP NE1 N 15 128.949 0.300 . 1 . . . A 10 TRP NE1 . 25541 1 217 . 1 1 19 19 LYS H H 1 9.544 0.030 . 1 . . . A 11 LYS H . 25541 1 218 . 1 1 19 19 LYS HA H 1 4.535 0.030 . 1 . . . A 11 LYS HA . 25541 1 219 . 1 1 19 19 LYS HB2 H 1 2.273 0.030 . 2 . . . A 11 LYS HB2 . 25541 1 220 . 1 1 19 19 LYS HB3 H 1 1.702 0.030 . 2 . . . A 11 LYS HB3 . 25541 1 221 . 1 1 19 19 LYS HG2 H 1 1.582 0.030 . 2 . . . A 11 LYS HG2 . 25541 1 222 . 1 1 19 19 LYS HG3 H 1 1.655 0.030 . 2 . . . A 11 LYS HG3 . 25541 1 223 . 1 1 19 19 LYS HD2 H 1 1.661 0.030 . 2 . . . A 11 LYS HD2 . 25541 1 224 . 1 1 19 19 LYS HD3 H 1 1.751 0.030 . 2 . . . A 11 LYS HD3 . 25541 1 225 . 1 1 19 19 LYS HE2 H 1 3.001 0.030 . 2 . . . A 11 LYS HE2 . 25541 1 226 . 1 1 19 19 LYS HE3 H 1 3.001 0.030 . 2 . . . A 11 LYS HE3 . 25541 1 227 . 1 1 19 19 LYS C C 13 175.094 0.300 . 1 . . . A 11 LYS C . 25541 1 228 . 1 1 19 19 LYS CA C 13 55.427 0.300 . 1 . . . A 11 LYS CA . 25541 1 229 . 1 1 19 19 LYS CB C 13 33.120 0.300 . 1 . . . A 11 LYS CB . 25541 1 230 . 1 1 19 19 LYS CG C 13 25.561 0.300 . 1 . . . A 11 LYS CG . 25541 1 231 . 1 1 19 19 LYS CD C 13 28.827 0.300 . 1 . . . A 11 LYS CD . 25541 1 232 . 1 1 19 19 LYS CE C 13 42.103 0.300 . 1 . . . A 11 LYS CE . 25541 1 233 . 1 1 19 19 LYS N N 15 123.185 0.300 . 1 . . . A 11 LYS N . 25541 1 234 . 1 1 20 20 TYR H H 1 9.266 0.030 . 1 . . . A 12 TYR H . 25541 1 235 . 1 1 20 20 TYR HA H 1 4.025 0.030 . 1 . . . A 12 TYR HA . 25541 1 236 . 1 1 20 20 TYR HB2 H 1 3.049 0.030 . 2 . . . A 12 TYR HB2 . 25541 1 237 . 1 1 20 20 TYR HB3 H 1 3.267 0.030 . 2 . . . A 12 TYR HB3 . 25541 1 238 . 1 1 20 20 TYR HD1 H 1 7.086 0.030 . 3 . . . A 12 TYR HD1 . 25541 1 239 . 1 1 20 20 TYR HD2 H 1 7.086 0.030 . 3 . . . A 12 TYR HD2 . 25541 1 240 . 1 1 20 20 TYR HE1 H 1 6.720 0.030 . 3 . . . A 12 TYR HE1 . 25541 1 241 . 1 1 20 20 TYR HE2 H 1 6.720 0.030 . 3 . . . A 12 TYR HE2 . 25541 1 242 . 1 1 20 20 TYR C C 13 174.531 0.300 . 1 . . . A 12 TYR C . 25541 1 243 . 1 1 20 20 TYR CA C 13 63.149 0.300 . 1 . . . A 12 TYR CA . 25541 1 244 . 1 1 20 20 TYR CB C 13 38.153 0.300 . 1 . . . A 12 TYR CB . 25541 1 245 . 1 1 20 20 TYR CD1 C 13 133.016 0.300 . 3 . . . A 12 TYR CD1 . 25541 1 246 . 1 1 20 20 TYR CD2 C 13 133.016 0.300 . 3 . . . A 12 TYR CD2 . 25541 1 247 . 1 1 20 20 TYR CE1 C 13 118.382 0.300 . 3 . . . A 12 TYR CE1 . 25541 1 248 . 1 1 20 20 TYR CE2 C 13 118.382 0.300 . 3 . . . A 12 TYR CE2 . 25541 1 249 . 1 1 20 20 TYR N N 15 124.291 0.300 . 1 . . . A 12 TYR N . 25541 1 250 . 1 1 21 21 ALA H H 1 8.986 0.030 . 1 . . . A 13 ALA H . 25541 1 251 . 1 1 21 21 ALA HA H 1 3.873 0.030 . 1 . . . A 13 ALA HA . 25541 1 252 . 1 1 21 21 ALA HB1 H 1 1.433 0.030 . 1 . . . A 13 ALA MB . 25541 1 253 . 1 1 21 21 ALA HB2 H 1 1.433 0.030 . 1 . . . A 13 ALA MB . 25541 1 254 . 1 1 21 21 ALA HB3 H 1 1.433 0.030 . 1 . . . A 13 ALA MB . 25541 1 255 . 1 1 21 21 ALA C C 13 176.314 0.300 . 1 . . . A 13 ALA C . 25541 1 256 . 1 1 21 21 ALA CA C 13 55.335 0.300 . 1 . . . A 13 ALA CA . 25541 1 257 . 1 1 21 21 ALA CB C 13 18.703 0.300 . 1 . . . A 13 ALA CB . 25541 1 258 . 1 1 21 21 ALA N N 15 117.781 0.300 . 1 . . . A 13 ALA N . 25541 1 259 . 1 1 22 22 GLU H H 1 6.854 0.030 . 1 . . . A 14 GLU H . 25541 1 260 . 1 1 22 22 GLU HA H 1 4.119 0.030 . 1 . . . A 14 GLU HA . 25541 1 261 . 1 1 22 22 GLU HB2 H 1 2.257 0.030 . 2 . . . A 14 GLU HB2 . 25541 1 262 . 1 1 22 22 GLU HB3 H 1 1.701 0.030 . 2 . . . A 14 GLU HB3 . 25541 1 263 . 1 1 22 22 GLU HG2 H 1 1.988 0.030 . 2 . . . A 14 GLU HG2 . 25541 1 264 . 1 1 22 22 GLU HG3 H 1 2.084 0.030 . 2 . . . A 14 GLU HG3 . 25541 1 265 . 1 1 22 22 GLU C C 13 177.380 0.300 . 1 . . . A 14 GLU C . 25541 1 266 . 1 1 22 22 GLU CA C 13 58.479 0.300 . 1 . . . A 14 GLU CA . 25541 1 267 . 1 1 22 22 GLU CB C 13 29.870 0.300 . 1 . . . A 14 GLU CB . 25541 1 268 . 1 1 22 22 GLU CG C 13 36.787 0.300 . 1 . . . A 14 GLU CG . 25541 1 269 . 1 1 22 22 GLU N N 15 115.218 0.300 . 1 . . . A 14 GLU N . 25541 1 270 . 1 1 23 23 LEU H H 1 7.909 0.030 . 1 . . . A 15 LEU H . 25541 1 271 . 1 1 23 23 LEU HA H 1 4.156 0.030 . 1 . . . A 15 LEU HA . 25541 1 272 . 1 1 23 23 LEU HB2 H 1 1.152 0.030 . 2 . . . A 15 LEU HB2 . 25541 1 273 . 1 1 23 23 LEU HB3 H 1 2.040 0.030 . 2 . . . A 15 LEU HB3 . 25541 1 274 . 1 1 23 23 LEU HG H 1 1.843 0.030 . 1 . . . A 15 LEU HG . 25541 1 275 . 1 1 23 23 LEU HD11 H 1 0.809 0.030 . 2 . . . A 15 LEU MD1 . 25541 1 276 . 1 1 23 23 LEU HD12 H 1 0.809 0.030 . 2 . . . A 15 LEU MD1 . 25541 1 277 . 1 1 23 23 LEU HD13 H 1 0.809 0.030 . 2 . . . A 15 LEU MD1 . 25541 1 278 . 1 1 23 23 LEU HD21 H 1 0.673 0.030 . 2 . . . A 15 LEU MD2 . 25541 1 279 . 1 1 23 23 LEU HD22 H 1 0.673 0.030 . 2 . . . A 15 LEU MD2 . 25541 1 280 . 1 1 23 23 LEU HD23 H 1 0.673 0.030 . 2 . . . A 15 LEU MD2 . 25541 1 281 . 1 1 23 23 LEU C C 13 174.830 0.300 . 1 . . . A 15 LEU C . 25541 1 282 . 1 1 23 23 LEU CA C 13 58.522 0.300 . 1 . . . A 15 LEU CA . 25541 1 283 . 1 1 23 23 LEU CB C 13 43.119 0.300 . 1 . . . A 15 LEU CB . 25541 1 284 . 1 1 23 23 LEU CG C 13 26.848 0.300 . 1 . . . A 15 LEU CG . 25541 1 285 . 1 1 23 23 LEU CD1 C 13 24.701 0.300 . 2 . . . A 15 LEU CD1 . 25541 1 286 . 1 1 23 23 LEU CD2 C 13 25.374 0.300 . 2 . . . A 15 LEU CD2 . 25541 1 287 . 1 1 23 23 LEU N N 15 122.132 0.300 . 1 . . . A 15 LEU N . 25541 1 288 . 1 1 24 24 ARG H H 1 8.250 0.030 . 1 . . . A 16 ARG H . 25541 1 289 . 1 1 24 24 ARG HA H 1 3.637 0.030 . 1 . . . A 16 ARG HA . 25541 1 290 . 1 1 24 24 ARG HB2 H 1 1.549 0.030 . 2 . . . A 16 ARG HB2 . 25541 1 291 . 1 1 24 24 ARG HB3 H 1 1.807 0.030 . 2 . . . A 16 ARG HB3 . 25541 1 292 . 1 1 24 24 ARG HG2 H 1 1.351 0.030 . 2 . . . A 16 ARG HG2 . 25541 1 293 . 1 1 24 24 ARG HG3 H 1 1.682 0.030 . 2 . . . A 16 ARG HG3 . 25541 1 294 . 1 1 24 24 ARG HD2 H 1 3.082 0.030 . 2 . . . A 16 ARG HD2 . 25541 1 295 . 1 1 24 24 ARG HD3 H 1 3.166 0.030 . 2 . . . A 16 ARG HD3 . 25541 1 296 . 1 1 24 24 ARG HE H 1 7.055 0.030 . 1 . . . A 16 ARG HE . 25541 1 297 . 1 1 24 24 ARG C C 13 175.240 0.300 . 1 . . . A 16 ARG C . 25541 1 298 . 1 1 24 24 ARG CA C 13 58.976 0.300 . 1 . . . A 16 ARG CA . 25541 1 299 . 1 1 24 24 ARG CB C 13 29.862 0.300 . 1 . . . A 16 ARG CB . 25541 1 300 . 1 1 24 24 ARG CG C 13 26.243 0.300 . 1 . . . A 16 ARG CG . 25541 1 301 . 1 1 24 24 ARG CD C 13 43.113 0.300 . 1 . . . A 16 ARG CD . 25541 1 302 . 1 1 24 24 ARG N N 15 118.051 0.300 . 1 . . . A 16 ARG N . 25541 1 303 . 1 1 24 24 ARG NE N 15 83.962 0.300 . 1 . . . A 16 ARG NE . 25541 1 304 . 1 1 25 25 ASP H H 1 8.507 0.030 . 1 . . . A 17 ASP H . 25541 1 305 . 1 1 25 25 ASP HA H 1 4.385 0.030 . 1 . . . A 17 ASP HA . 25541 1 306 . 1 1 25 25 ASP HB2 H 1 2.663 0.030 . 2 . . . A 17 ASP HB2 . 25541 1 307 . 1 1 25 25 ASP HB3 H 1 2.699 0.030 . 2 . . . A 17 ASP HB3 . 25541 1 308 . 1 1 25 25 ASP C C 13 176.554 0.300 . 1 . . . A 17 ASP C . 25541 1 309 . 1 1 25 25 ASP CA C 13 57.356 0.300 . 1 . . . A 17 ASP CA . 25541 1 310 . 1 1 25 25 ASP CB C 13 40.042 0.300 . 1 . . . A 17 ASP CB . 25541 1 311 . 1 1 25 25 ASP N N 15 118.179 0.300 . 1 . . . A 17 ASP N . 25541 1 312 . 1 1 26 26 THR H H 1 7.918 0.030 . 1 . . . A 18 THR H . 25541 1 313 . 1 1 26 26 THR HA H 1 3.891 0.030 . 1 . . . A 18 THR HA . 25541 1 314 . 1 1 26 26 THR HB H 1 4.561 0.030 . 1 . . . A 18 THR HB . 25541 1 315 . 1 1 26 26 THR HG21 H 1 1.259 0.030 . 1 . . . A 18 THR MG . 25541 1 316 . 1 1 26 26 THR HG22 H 1 1.259 0.030 . 1 . . . A 18 THR MG . 25541 1 317 . 1 1 26 26 THR HG23 H 1 1.259 0.030 . 1 . . . A 18 THR MG . 25541 1 318 . 1 1 26 26 THR C C 13 173.365 0.300 . 1 . . . A 18 THR C . 25541 1 319 . 1 1 26 26 THR CA C 13 67.787 0.300 . 1 . . . A 18 THR CA . 25541 1 320 . 1 1 26 26 THR CB C 13 68.120 0.300 . 1 . . . A 18 THR CB . 25541 1 321 . 1 1 26 26 THR CG2 C 13 22.847 0.300 . 1 . . . A 18 THR CG2 . 25541 1 322 . 1 1 26 26 THR N N 15 118.299 0.300 . 1 . . . A 18 THR N . 25541 1 323 . 1 1 27 27 ILE H H 1 8.159 0.030 . 1 . . . A 19 ILE H . 25541 1 324 . 1 1 27 27 ILE HA H 1 3.625 0.030 . 1 . . . A 19 ILE HA . 25541 1 325 . 1 1 27 27 ILE HB H 1 1.804 0.030 . 1 . . . A 19 ILE HB . 25541 1 326 . 1 1 27 27 ILE HG12 H 1 1.668 0.030 . 2 . . . A 19 ILE HG12 . 25541 1 327 . 1 1 27 27 ILE HG13 H 1 0.881 0.030 . 2 . . . A 19 ILE HG13 . 25541 1 328 . 1 1 27 27 ILE HG21 H 1 0.790 0.030 . 1 . . . A 19 ILE MG . 25541 1 329 . 1 1 27 27 ILE HG22 H 1 0.790 0.030 . 1 . . . A 19 ILE MG . 25541 1 330 . 1 1 27 27 ILE HG23 H 1 0.790 0.030 . 1 . . . A 19 ILE MG . 25541 1 331 . 1 1 27 27 ILE HD11 H 1 0.521 0.030 . 1 . . . A 19 ILE MD . 25541 1 332 . 1 1 27 27 ILE HD12 H 1 0.521 0.030 . 1 . . . A 19 ILE MD . 25541 1 333 . 1 1 27 27 ILE HD13 H 1 0.521 0.030 . 1 . . . A 19 ILE MD . 25541 1 334 . 1 1 27 27 ILE C C 13 174.485 0.300 . 1 . . . A 19 ILE C . 25541 1 335 . 1 1 27 27 ILE CA C 13 64.711 0.300 . 1 . . . A 19 ILE CA . 25541 1 336 . 1 1 27 27 ILE CB C 13 37.527 0.300 . 1 . . . A 19 ILE CB . 25541 1 337 . 1 1 27 27 ILE CG1 C 13 30.457 0.300 . 1 . . . A 19 ILE CG1 . 25541 1 338 . 1 1 27 27 ILE CG2 C 13 17.202 0.300 . 1 . . . A 19 ILE CG2 . 25541 1 339 . 1 1 27 27 ILE CD1 C 13 13.421 0.300 . 1 . . . A 19 ILE CD1 . 25541 1 340 . 1 1 27 27 ILE N N 15 122.576 0.300 . 1 . . . A 19 ILE N . 25541 1 341 . 1 1 28 28 ASN H H 1 7.713 0.030 . 1 . . . A 20 ASN H . 25541 1 342 . 1 1 28 28 ASN HA H 1 4.615 0.030 . 1 . . . A 20 ASN HA . 25541 1 343 . 1 1 28 28 ASN HB2 H 1 2.882 0.030 . 2 . . . A 20 ASN HB2 . 25541 1 344 . 1 1 28 28 ASN HB3 H 1 2.900 0.030 . 2 . . . A 20 ASN HB3 . 25541 1 345 . 1 1 28 28 ASN HD21 H 1 7.753 0.030 . 2 . . . A 20 ASN HD21 . 25541 1 346 . 1 1 28 28 ASN HD22 H 1 6.813 0.030 . 2 . . . A 20 ASN HD22 . 25541 1 347 . 1 1 28 28 ASN C C 13 173.902 0.300 . 1 . . . A 20 ASN C . 25541 1 348 . 1 1 28 28 ASN CA C 13 54.460 0.300 . 1 . . . A 20 ASN CA . 25541 1 349 . 1 1 28 28 ASN CB C 13 39.230 0.300 . 1 . . . A 20 ASN CB . 25541 1 350 . 1 1 28 28 ASN N N 15 115.118 0.300 . 1 . . . A 20 ASN N . 25541 1 351 . 1 1 28 28 ASN ND2 N 15 111.824 0.300 . 1 . . . A 20 ASN ND2 . 25541 1 352 . 1 1 29 29 THR H H 1 7.587 0.030 . 1 . . . A 21 THR H . 25541 1 353 . 1 1 29 29 THR HA H 1 4.600 0.030 . 1 . . . A 21 THR HA . 25541 1 354 . 1 1 29 29 THR HB H 1 4.143 0.030 . 1 . . . A 21 THR HB . 25541 1 355 . 1 1 29 29 THR HG21 H 1 1.182 0.030 . 1 . . . A 21 THR MG . 25541 1 356 . 1 1 29 29 THR HG22 H 1 1.182 0.030 . 1 . . . A 21 THR MG . 25541 1 357 . 1 1 29 29 THR HG23 H 1 1.182 0.030 . 1 . . . A 21 THR MG . 25541 1 358 . 1 1 29 29 THR C C 13 172.290 0.300 . 1 . . . A 21 THR C . 25541 1 359 . 1 1 29 29 THR CA C 13 62.595 0.300 . 1 . . . A 21 THR CA . 25541 1 360 . 1 1 29 29 THR CB C 13 72.291 0.300 . 1 . . . A 21 THR CB . 25541 1 361 . 1 1 29 29 THR CG2 C 13 21.354 0.300 . 1 . . . A 21 THR CG2 . 25541 1 362 . 1 1 29 29 THR N N 15 107.730 0.300 . 1 . . . A 21 THR N . 25541 1 363 . 1 1 30 30 SER H H 1 8.698 0.030 . 1 . . . A 22 SER H . 25541 1 364 . 1 1 30 30 SER HA H 1 4.296 0.030 . 1 . . . A 22 SER HA . 25541 1 365 . 1 1 30 30 SER HB2 H 1 3.608 0.030 . 2 . . . A 22 SER HB2 . 25541 1 366 . 1 1 30 30 SER HB3 H 1 4.139 0.030 . 2 . . . A 22 SER HB3 . 25541 1 367 . 1 1 30 30 SER C C 13 172.473 0.300 . 1 . . . A 22 SER C . 25541 1 368 . 1 1 30 30 SER CA C 13 59.618 0.300 . 1 . . . A 22 SER CA . 25541 1 369 . 1 1 30 30 SER CB C 13 64.402 0.300 . 1 . . . A 22 SER CB . 25541 1 370 . 1 1 30 30 SER N N 15 117.784 0.300 . 1 . . . A 22 SER N . 25541 1 371 . 1 1 31 31 CYS H H 1 8.713 0.030 . 1 . . . A 23 CYS H . 25541 1 372 . 1 1 31 31 CYS HA H 1 4.787 0.030 . 1 . . . A 23 CYS HA . 25541 1 373 . 1 1 31 31 CYS HB2 H 1 2.931 0.030 . 2 . . . A 23 CYS HB2 . 25541 1 374 . 1 1 31 31 CYS HB3 H 1 3.006 0.030 . 2 . . . A 23 CYS HB3 . 25541 1 375 . 1 1 31 31 CYS C C 13 170.861 0.300 . 1 . . . A 23 CYS C . 25541 1 376 . 1 1 31 31 CYS CA C 13 57.372 0.300 . 1 . . . A 23 CYS CA . 25541 1 377 . 1 1 31 31 CYS CB C 13 28.364 0.300 . 1 . . . A 23 CYS CB . 25541 1 378 . 1 1 31 31 CYS N N 15 121.196 0.300 . 1 . . . A 23 CYS N . 25541 1 379 . 1 1 32 32 ASP H H 1 8.542 0.030 . 1 . . . A 24 ASP H . 25541 1 380 . 1 1 32 32 ASP HA H 1 4.613 0.030 . 1 . . . A 24 ASP HA . 25541 1 381 . 1 1 32 32 ASP HB2 H 1 2.457 0.030 . 2 . . . A 24 ASP HB2 . 25541 1 382 . 1 1 32 32 ASP HB3 H 1 2.988 0.030 . 2 . . . A 24 ASP HB3 . 25541 1 383 . 1 1 32 32 ASP C C 13 172.541 0.300 . 1 . . . A 24 ASP C . 25541 1 384 . 1 1 32 32 ASP CA C 13 53.185 0.300 . 1 . . . A 24 ASP CA . 25541 1 385 . 1 1 32 32 ASP CB C 13 41.137 0.300 . 1 . . . A 24 ASP CB . 25541 1 386 . 1 1 32 32 ASP N N 15 124.610 0.300 . 1 . . . A 24 ASP N . 25541 1 387 . 1 1 33 33 ILE H H 1 8.459 0.030 . 1 . . . A 25 ILE H . 25541 1 388 . 1 1 33 33 ILE HA H 1 3.686 0.030 . 1 . . . A 25 ILE HA . 25541 1 389 . 1 1 33 33 ILE HB H 1 1.925 0.030 . 1 . . . A 25 ILE HB . 25541 1 390 . 1 1 33 33 ILE HG12 H 1 1.575 0.030 . 2 . . . A 25 ILE HG12 . 25541 1 391 . 1 1 33 33 ILE HG13 H 1 1.343 0.030 . 2 . . . A 25 ILE HG13 . 25541 1 392 . 1 1 33 33 ILE HG21 H 1 0.952 0.030 . 1 . . . A 25 ILE MG . 25541 1 393 . 1 1 33 33 ILE HG22 H 1 0.952 0.030 . 1 . . . A 25 ILE MG . 25541 1 394 . 1 1 33 33 ILE HG23 H 1 0.952 0.030 . 1 . . . A 25 ILE MG . 25541 1 395 . 1 1 33 33 ILE HD11 H 1 0.869 0.030 . 1 . . . A 25 ILE MD . 25541 1 396 . 1 1 33 33 ILE HD12 H 1 0.869 0.030 . 1 . . . A 25 ILE MD . 25541 1 397 . 1 1 33 33 ILE HD13 H 1 0.869 0.030 . 1 . . . A 25 ILE MD . 25541 1 398 . 1 1 33 33 ILE C C 13 175.743 0.300 . 1 . . . A 25 ILE C . 25541 1 399 . 1 1 33 33 ILE CA C 13 64.710 0.300 . 1 . . . A 25 ILE CA . 25541 1 400 . 1 1 33 33 ILE CB C 13 37.815 0.300 . 1 . . . A 25 ILE CB . 25541 1 401 . 1 1 33 33 ILE CG1 C 13 27.722 0.300 . 1 . . . A 25 ILE CG1 . 25541 1 402 . 1 1 33 33 ILE CG2 C 13 17.511 0.300 . 1 . . . A 25 ILE CG2 . 25541 1 403 . 1 1 33 33 ILE CD1 C 13 12.739 0.300 . 1 . . . A 25 ILE CD1 . 25541 1 404 . 1 1 33 33 ILE N N 15 125.134 0.300 . 1 . . . A 25 ILE N . 25541 1 405 . 1 1 34 34 GLU H H 1 8.177 0.030 . 1 . . . A 26 GLU H . 25541 1 406 . 1 1 34 34 GLU HA H 1 4.131 0.030 . 1 . . . A 26 GLU HA . 25541 1 407 . 1 1 34 34 GLU HB2 H 1 2.151 0.030 . 2 . . . A 26 GLU HB2 . 25541 1 408 . 1 1 34 34 GLU HB3 H 1 2.237 0.030 . 2 . . . A 26 GLU HB3 . 25541 1 409 . 1 1 34 34 GLU HG2 H 1 2.288 0.030 . 2 . . . A 26 GLU HG2 . 25541 1 410 . 1 1 34 34 GLU HG3 H 1 2.394 0.030 . 2 . . . A 26 GLU HG3 . 25541 1 411 . 1 1 34 34 GLU C C 13 176.406 0.300 . 1 . . . A 26 GLU C . 25541 1 412 . 1 1 34 34 GLU CA C 13 59.333 0.300 . 1 . . . A 26 GLU CA . 25541 1 413 . 1 1 34 34 GLU CB C 13 29.675 0.300 . 1 . . . A 26 GLU CB . 25541 1 414 . 1 1 34 34 GLU CG C 13 37.220 0.300 . 1 . . . A 26 GLU CG . 25541 1 415 . 1 1 34 34 GLU N N 15 121.097 0.300 . 1 . . . A 26 GLU N . 25541 1 416 . 1 1 35 35 LEU H H 1 7.831 0.030 . 1 . . . A 27 LEU H . 25541 1 417 . 1 1 35 35 LEU HA H 1 3.611 0.030 . 1 . . . A 27 LEU HA . 25541 1 418 . 1 1 35 35 LEU HB2 H 1 1.196 0.030 . 2 . . . A 27 LEU HB2 . 25541 1 419 . 1 1 35 35 LEU HB3 H 1 1.748 0.030 . 2 . . . A 27 LEU HB3 . 25541 1 420 . 1 1 35 35 LEU HG H 1 1.200 0.030 . 1 . . . A 27 LEU HG . 25541 1 421 . 1 1 35 35 LEU HD11 H 1 0.933 0.030 . 2 . . . A 27 LEU MD1 . 25541 1 422 . 1 1 35 35 LEU HD12 H 1 0.933 0.030 . 2 . . . A 27 LEU MD1 . 25541 1 423 . 1 1 35 35 LEU HD13 H 1 0.933 0.030 . 2 . . . A 27 LEU MD1 . 25541 1 424 . 1 1 35 35 LEU HD21 H 1 0.358 0.030 . 2 . . . A 27 LEU MD2 . 25541 1 425 . 1 1 35 35 LEU HD22 H 1 0.358 0.030 . 2 . . . A 27 LEU MD2 . 25541 1 426 . 1 1 35 35 LEU HD23 H 1 0.358 0.030 . 2 . . . A 27 LEU MD2 . 25541 1 427 . 1 1 35 35 LEU C C 13 176.399 0.300 . 1 . . . A 27 LEU C . 25541 1 428 . 1 1 35 35 LEU CA C 13 57.068 0.300 . 1 . . . A 27 LEU CA . 25541 1 429 . 1 1 35 35 LEU CB C 13 40.910 0.300 . 1 . . . A 27 LEU CB . 25541 1 430 . 1 1 35 35 LEU CG C 13 27.127 0.300 . 1 . . . A 27 LEU CG . 25541 1 431 . 1 1 35 35 LEU CD1 C 13 26.118 0.300 . 2 . . . A 27 LEU CD1 . 25541 1 432 . 1 1 35 35 LEU CD2 C 13 21.843 0.300 . 2 . . . A 27 LEU CD2 . 25541 1 433 . 1 1 35 35 LEU N N 15 124.890 0.300 . 1 . . . A 27 LEU N . 25541 1 434 . 1 1 36 36 LEU H H 1 8.843 0.030 . 1 . . . A 28 LEU H . 25541 1 435 . 1 1 36 36 LEU HA H 1 3.659 0.030 . 1 . . . A 28 LEU HA . 25541 1 436 . 1 1 36 36 LEU HB2 H 1 1.307 0.030 . 2 . . . A 28 LEU HB2 . 25541 1 437 . 1 1 36 36 LEU HB3 H 1 1.803 0.030 . 2 . . . A 28 LEU HB3 . 25541 1 438 . 1 1 36 36 LEU HG H 1 1.568 0.030 . 1 . . . A 28 LEU HG . 25541 1 439 . 1 1 36 36 LEU HD11 H 1 0.770 0.030 . 2 . . . A 28 LEU MD1 . 25541 1 440 . 1 1 36 36 LEU HD12 H 1 0.770 0.030 . 2 . . . A 28 LEU MD1 . 25541 1 441 . 1 1 36 36 LEU HD13 H 1 0.770 0.030 . 2 . . . A 28 LEU MD1 . 25541 1 442 . 1 1 36 36 LEU HD21 H 1 0.902 0.030 . 2 . . . A 28 LEU MD2 . 25541 1 443 . 1 1 36 36 LEU HD22 H 1 0.902 0.030 . 2 . . . A 28 LEU MD2 . 25541 1 444 . 1 1 36 36 LEU HD23 H 1 0.902 0.030 . 2 . . . A 28 LEU MD2 . 25541 1 445 . 1 1 36 36 LEU C C 13 176.280 0.300 . 1 . . . A 28 LEU C . 25541 1 446 . 1 1 36 36 LEU CA C 13 58.615 0.300 . 1 . . . A 28 LEU CA . 25541 1 447 . 1 1 36 36 LEU CB C 13 42.469 0.300 . 1 . . . A 28 LEU CB . 25541 1 448 . 1 1 36 36 LEU CG C 13 26.960 0.300 . 1 . . . A 28 LEU CG . 25541 1 449 . 1 1 36 36 LEU CD1 C 13 24.842 0.300 . 2 . . . A 28 LEU CD1 . 25541 1 450 . 1 1 36 36 LEU CD2 C 13 25.166 0.300 . 2 . . . A 28 LEU CD2 . 25541 1 451 . 1 1 36 36 LEU N N 15 120.493 0.300 . 1 . . . A 28 LEU N . 25541 1 452 . 1 1 37 37 ALA H H 1 7.610 0.030 . 1 . . . A 29 ALA H . 25541 1 453 . 1 1 37 37 ALA HA H 1 3.997 0.030 . 1 . . . A 29 ALA HA . 25541 1 454 . 1 1 37 37 ALA HB1 H 1 1.461 0.030 . 1 . . . A 29 ALA MB . 25541 1 455 . 1 1 37 37 ALA HB2 H 1 1.461 0.030 . 1 . . . A 29 ALA MB . 25541 1 456 . 1 1 37 37 ALA HB3 H 1 1.461 0.030 . 1 . . . A 29 ALA MB . 25541 1 457 . 1 1 37 37 ALA C C 13 177.606 0.300 . 1 . . . A 29 ALA C . 25541 1 458 . 1 1 37 37 ALA CA C 13 55.169 0.300 . 1 . . . A 29 ALA CA . 25541 1 459 . 1 1 37 37 ALA CB C 13 17.620 0.300 . 1 . . . A 29 ALA CB . 25541 1 460 . 1 1 37 37 ALA N N 15 119.956 0.300 . 1 . . . A 29 ALA N . 25541 1 461 . 1 1 38 38 ALA H H 1 7.665 0.030 . 1 . . . A 30 ALA H . 25541 1 462 . 1 1 38 38 ALA HA H 1 4.103 0.030 . 1 . . . A 30 ALA HA . 25541 1 463 . 1 1 38 38 ALA HB1 H 1 1.303 0.030 . 1 . . . A 30 ALA MB . 25541 1 464 . 1 1 38 38 ALA HB2 H 1 1.303 0.030 . 1 . . . A 30 ALA MB . 25541 1 465 . 1 1 38 38 ALA HB3 H 1 1.303 0.030 . 1 . . . A 30 ALA MB . 25541 1 466 . 1 1 38 38 ALA C C 13 178.452 0.300 . 1 . . . A 30 ALA C . 25541 1 467 . 1 1 38 38 ALA CA C 13 54.855 0.300 . 1 . . . A 30 ALA CA . 25541 1 468 . 1 1 38 38 ALA CB C 13 18.060 0.300 . 1 . . . A 30 ALA CB . 25541 1 469 . 1 1 38 38 ALA N N 15 121.594 0.300 . 1 . . . A 30 ALA N . 25541 1 470 . 1 1 39 39 CYS H H 1 8.766 0.030 . 1 . . . A 31 CYS H . 25541 1 471 . 1 1 39 39 CYS HA H 1 3.731 0.030 . 1 . . . A 31 CYS HA . 25541 1 472 . 1 1 39 39 CYS HB2 H 1 2.295 0.030 . 2 . . . A 31 CYS HB2 . 25541 1 473 . 1 1 39 39 CYS HB3 H 1 3.073 0.030 . 2 . . . A 31 CYS HB3 . 25541 1 474 . 1 1 39 39 CYS C C 13 173.860 0.300 . 1 . . . A 31 CYS C . 25541 1 475 . 1 1 39 39 CYS CA C 13 63.823 0.300 . 1 . . . A 31 CYS CA . 25541 1 476 . 1 1 39 39 CYS CB C 13 27.225 0.300 . 1 . . . A 31 CYS CB . 25541 1 477 . 1 1 39 39 CYS N N 15 119.263 0.300 . 1 . . . A 31 CYS N . 25541 1 478 . 1 1 40 40 ARG H H 1 8.327 0.030 . 1 . . . A 32 ARG H . 25541 1 479 . 1 1 40 40 ARG HA H 1 3.898 0.030 . 1 . . . A 32 ARG HA . 25541 1 480 . 1 1 40 40 ARG HB2 H 1 1.816 0.030 . 2 . . . A 32 ARG HB2 . 25541 1 481 . 1 1 40 40 ARG HB3 H 1 1.869 0.030 . 2 . . . A 32 ARG HB3 . 25541 1 482 . 1 1 40 40 ARG HG2 H 1 1.470 0.030 . 2 . . . A 32 ARG HG2 . 25541 1 483 . 1 1 40 40 ARG HG3 H 1 1.816 0.030 . 2 . . . A 32 ARG HG3 . 25541 1 484 . 1 1 40 40 ARG HD2 H 1 3.111 0.030 . 2 . . . A 32 ARG HD2 . 25541 1 485 . 1 1 40 40 ARG HD3 H 1 3.152 0.030 . 2 . . . A 32 ARG HD3 . 25541 1 486 . 1 1 40 40 ARG HE H 1 7.270 0.030 . 1 . . . A 32 ARG HE . 25541 1 487 . 1 1 40 40 ARG C C 13 176.108 0.300 . 1 . . . A 32 ARG C . 25541 1 488 . 1 1 40 40 ARG CA C 13 60.482 0.300 . 1 . . . A 32 ARG CA . 25541 1 489 . 1 1 40 40 ARG CB C 13 29.864 0.300 . 1 . . . A 32 ARG CB . 25541 1 490 . 1 1 40 40 ARG CG C 13 28.865 0.300 . 1 . . . A 32 ARG CG . 25541 1 491 . 1 1 40 40 ARG CD C 13 43.203 0.300 . 1 . . . A 32 ARG CD . 25541 1 492 . 1 1 40 40 ARG N N 15 119.658 0.300 . 1 . . . A 32 ARG N . 25541 1 493 . 1 1 40 40 ARG NE N 15 84.555 0.300 . 1 . . . A 32 ARG NE . 25541 1 494 . 1 1 41 41 GLU H H 1 7.929 0.030 . 1 . . . A 33 GLU H . 25541 1 495 . 1 1 41 41 GLU HA H 1 4.099 0.030 . 1 . . . A 33 GLU HA . 25541 1 496 . 1 1 41 41 GLU HB2 H 1 2.060 0.030 . 2 . . . A 33 GLU HB2 . 25541 1 497 . 1 1 41 41 GLU HB3 H 1 2.098 0.030 . 2 . . . A 33 GLU HB3 . 25541 1 498 . 1 1 41 41 GLU HG2 H 1 2.274 0.030 . 2 . . . A 33 GLU HG2 . 25541 1 499 . 1 1 41 41 GLU HG3 H 1 2.371 0.030 . 2 . . . A 33 GLU HG3 . 25541 1 500 . 1 1 41 41 GLU C C 13 171.786 0.300 . 1 . . . A 33 GLU C . 25541 1 501 . 1 1 41 41 GLU CA C 13 59.213 0.300 . 1 . . . A 33 GLU CA . 25541 1 502 . 1 1 41 41 GLU CB C 13 29.277 0.300 . 1 . . . A 33 GLU CB . 25541 1 503 . 1 1 41 41 GLU CG C 13 36.004 0.300 . 1 . . . A 33 GLU CG . 25541 1 504 . 1 1 41 41 GLU N N 15 119.358 0.300 . 1 . . . A 33 GLU N . 25541 1 505 . 1 1 42 42 GLU H H 1 7.945 0.030 . 1 . . . A 34 GLU H . 25541 1 506 . 1 1 42 42 GLU HA H 1 4.223 0.030 . 1 . . . A 34 GLU HA . 25541 1 507 . 1 1 42 42 GLU HB2 H 1 1.738 0.030 . 2 . . . A 34 GLU HB2 . 25541 1 508 . 1 1 42 42 GLU HB3 H 1 1.945 0.030 . 2 . . . A 34 GLU HB3 . 25541 1 509 . 1 1 42 42 GLU HG2 H 1 1.874 0.030 . 2 . . . A 34 GLU HG2 . 25541 1 510 . 1 1 42 42 GLU HG3 H 1 2.179 0.030 . 2 . . . A 34 GLU HG3 . 25541 1 511 . 1 1 42 42 GLU C C 13 173.408 0.300 . 1 . . . A 34 GLU C . 25541 1 512 . 1 1 42 42 GLU CA C 13 58.319 0.300 . 1 . . . A 34 GLU CA . 25541 1 513 . 1 1 42 42 GLU CB C 13 28.215 0.300 . 1 . . . A 34 GLU CB . 25541 1 514 . 1 1 42 42 GLU CG C 13 34.531 0.300 . 1 . . . A 34 GLU CG . 25541 1 515 . 1 1 42 42 GLU N N 15 121.281 0.300 . 1 . . . A 34 GLU N . 25541 1 516 . 1 1 43 43 PHE H H 1 8.624 0.030 . 1 . . . A 35 PHE H . 25541 1 517 . 1 1 43 43 PHE HA H 1 4.077 0.030 . 1 . . . A 35 PHE HA . 25541 1 518 . 1 1 43 43 PHE HB2 H 1 3.055 0.030 . 2 . . . A 35 PHE HB2 . 25541 1 519 . 1 1 43 43 PHE HB3 H 1 3.099 0.030 . 2 . . . A 35 PHE HB3 . 25541 1 520 . 1 1 43 43 PHE HD1 H 1 6.999 0.030 . 3 . . . A 35 PHE HD1 . 25541 1 521 . 1 1 43 43 PHE HD2 H 1 6.999 0.030 . 3 . . . A 35 PHE HD2 . 25541 1 522 . 1 1 43 43 PHE HE1 H 1 6.994 0.030 . 3 . . . A 35 PHE HE1 . 25541 1 523 . 1 1 43 43 PHE HE2 H 1 6.994 0.030 . 3 . . . A 35 PHE HE2 . 25541 1 524 . 1 1 43 43 PHE C C 13 175.299 0.300 . 1 . . . A 35 PHE C . 25541 1 525 . 1 1 43 43 PHE CA C 13 61.549 0.300 . 1 . . . A 35 PHE CA . 25541 1 526 . 1 1 43 43 PHE CB C 13 39.134 0.300 . 1 . . . A 35 PHE CB . 25541 1 527 . 1 1 43 43 PHE CD1 C 13 131.067 0.300 . 3 . . . A 35 PHE CD1 . 25541 1 528 . 1 1 43 43 PHE CD2 C 13 131.067 0.300 . 3 . . . A 35 PHE CD2 . 25541 1 529 . 1 1 43 43 PHE CE1 C 13 129.766 0.300 . 3 . . . A 35 PHE CE1 . 25541 1 530 . 1 1 43 43 PHE CE2 C 13 129.766 0.300 . 3 . . . A 35 PHE CE2 . 25541 1 531 . 1 1 43 43 PHE N N 15 119.271 0.300 . 1 . . . A 35 PHE N . 25541 1 532 . 1 1 44 44 HIS H H 1 7.976 0.030 . 1 . . . A 36 HIS H . 25541 1 533 . 1 1 44 44 HIS HA H 1 4.266 0.030 . 1 . . . A 36 HIS HA . 25541 1 534 . 1 1 44 44 HIS HB2 H 1 3.230 0.030 . 2 . . . A 36 HIS HB2 . 25541 1 535 . 1 1 44 44 HIS HB3 H 1 3.253 0.030 . 2 . . . A 36 HIS HB3 . 25541 1 536 . 1 1 44 44 HIS HD2 H 1 7.066 0.030 . 1 . . . A 36 HIS HD2 . 25541 1 537 . 1 1 44 44 HIS HE1 H 1 7.951 0.030 . 1 . . . A 36 HIS HE1 . 25541 1 538 . 1 1 44 44 HIS C C 13 174.771 0.300 . 1 . . . A 36 HIS C . 25541 1 539 . 1 1 44 44 HIS CA C 13 59.343 0.300 . 1 . . . A 36 HIS CA . 25541 1 540 . 1 1 44 44 HIS CB C 13 29.488 0.300 . 1 . . . A 36 HIS CB . 25541 1 541 . 1 1 44 44 HIS CD2 C 13 120.404 0.300 . 1 . . . A 36 HIS CD2 . 25541 1 542 . 1 1 44 44 HIS CE1 C 13 137.709 0.300 . 1 . . . A 36 HIS CE1 . 25541 1 543 . 1 1 44 44 HIS N N 15 116.374 0.300 . 1 . . . A 36 HIS N . 25541 1 544 . 1 1 45 45 ARG H H 1 8.166 0.030 . 1 . . . A 37 ARG H . 25541 1 545 . 1 1 45 45 ARG HA H 1 3.946 0.030 . 1 . . . A 37 ARG HA . 25541 1 546 . 1 1 45 45 ARG HB2 H 1 1.954 0.030 . 2 . . . A 37 ARG HB2 . 25541 1 547 . 1 1 45 45 ARG HB3 H 1 1.996 0.030 . 2 . . . A 37 ARG HB3 . 25541 1 548 . 1 1 45 45 ARG HG2 H 1 1.561 0.030 . 2 . . . A 37 ARG HG2 . 25541 1 549 . 1 1 45 45 ARG HG3 H 1 1.710 0.030 . 2 . . . A 37 ARG HG3 . 25541 1 550 . 1 1 45 45 ARG HD2 H 1 3.101 0.030 . 2 . . . A 37 ARG HD2 . 25541 1 551 . 1 1 45 45 ARG HD3 H 1 3.261 0.030 . 2 . . . A 37 ARG HD3 . 25541 1 552 . 1 1 45 45 ARG HE H 1 7.765 0.030 . 1 . . . A 37 ARG HE . 25541 1 553 . 1 1 45 45 ARG C C 13 176.310 0.300 . 1 . . . A 37 ARG C . 25541 1 554 . 1 1 45 45 ARG CA C 13 59.206 0.300 . 1 . . . A 37 ARG CA . 25541 1 555 . 1 1 45 45 ARG CB C 13 30.388 0.300 . 1 . . . A 37 ARG CB . 25541 1 556 . 1 1 45 45 ARG CG C 13 27.668 0.300 . 1 . . . A 37 ARG CG . 25541 1 557 . 1 1 45 45 ARG CD C 13 43.056 0.300 . 1 . . . A 37 ARG CD . 25541 1 558 . 1 1 45 45 ARG N N 15 120.170 0.300 . 1 . . . A 37 ARG N . 25541 1 559 . 1 1 45 45 ARG NE N 15 83.189 0.300 . 1 . . . A 37 ARG NE . 25541 1 560 . 1 1 46 46 ARG H H 1 7.764 0.030 . 1 . . . A 38 ARG H . 25541 1 561 . 1 1 46 46 ARG HA H 1 4.065 0.030 . 1 . . . A 38 ARG HA . 25541 1 562 . 1 1 46 46 ARG HB2 H 1 1.840 0.030 . 2 . . . A 38 ARG HB2 . 25541 1 563 . 1 1 46 46 ARG HB3 H 1 1.985 0.030 . 2 . . . A 38 ARG HB3 . 25541 1 564 . 1 1 46 46 ARG HG2 H 1 1.685 0.030 . 2 . . . A 38 ARG HG2 . 25541 1 565 . 1 1 46 46 ARG HG3 H 1 1.924 0.030 . 2 . . . A 38 ARG HG3 . 25541 1 566 . 1 1 46 46 ARG HD2 H 1 2.751 0.030 . 2 . . . A 38 ARG HD2 . 25541 1 567 . 1 1 46 46 ARG HD3 H 1 3.235 0.030 . 2 . . . A 38 ARG HD3 . 25541 1 568 . 1 1 46 46 ARG HE H 1 8.813 0.030 . 1 . . . A 38 ARG HE . 25541 1 569 . 1 1 46 46 ARG C C 13 176.046 0.300 . 1 . . . A 38 ARG C . 25541 1 570 . 1 1 46 46 ARG CA C 13 57.691 0.300 . 1 . . . A 38 ARG CA . 25541 1 571 . 1 1 46 46 ARG CB C 13 30.248 0.300 . 1 . . . A 38 ARG CB . 25541 1 572 . 1 1 46 46 ARG CG C 13 27.445 0.300 . 1 . . . A 38 ARG CG . 25541 1 573 . 1 1 46 46 ARG CD C 13 43.252 0.300 . 1 . . . A 38 ARG CD . 25541 1 574 . 1 1 46 46 ARG N N 15 116.229 0.300 . 1 . . . A 38 ARG N . 25541 1 575 . 1 1 46 46 ARG NE N 15 86.236 0.300 . 1 . . . A 38 ARG NE . 25541 1 576 . 1 1 47 47 LEU H H 1 7.557 0.030 . 1 . . . A 39 LEU H . 25541 1 577 . 1 1 47 47 LEU HA H 1 4.135 0.030 . 1 . . . A 39 LEU HA . 25541 1 578 . 1 1 47 47 LEU HB2 H 1 1.483 0.030 . 2 . . . A 39 LEU HB2 . 25541 1 579 . 1 1 47 47 LEU HB3 H 1 1.676 0.030 . 2 . . . A 39 LEU HB3 . 25541 1 580 . 1 1 47 47 LEU HG H 1 1.613 0.030 . 1 . . . A 39 LEU HG . 25541 1 581 . 1 1 47 47 LEU HD11 H 1 0.746 0.030 . 2 . . . A 39 LEU MD1 . 25541 1 582 . 1 1 47 47 LEU HD12 H 1 0.746 0.030 . 2 . . . A 39 LEU MD1 . 25541 1 583 . 1 1 47 47 LEU HD13 H 1 0.746 0.030 . 2 . . . A 39 LEU MD1 . 25541 1 584 . 1 1 47 47 LEU HD21 H 1 0.750 0.030 . 2 . . . A 39 LEU MD2 . 25541 1 585 . 1 1 47 47 LEU HD22 H 1 0.750 0.030 . 2 . . . A 39 LEU MD2 . 25541 1 586 . 1 1 47 47 LEU HD23 H 1 0.750 0.030 . 2 . . . A 39 LEU MD2 . 25541 1 587 . 1 1 47 47 LEU CA C 13 55.957 0.300 . 1 . . . A 39 LEU CA . 25541 1 588 . 1 1 47 47 LEU CB C 13 42.024 0.300 . 1 . . . A 39 LEU CB . 25541 1 589 . 1 1 47 47 LEU CG C 13 26.531 0.300 . 1 . . . A 39 LEU CG . 25541 1 590 . 1 1 47 47 LEU CD1 C 13 25.067 0.300 . 2 . . . A 39 LEU CD1 . 25541 1 591 . 1 1 47 47 LEU CD2 C 13 23.124 0.300 . 2 . . . A 39 LEU CD2 . 25541 1 592 . 1 1 47 47 LEU N N 15 119.010 0.300 . 1 . . . A 39 LEU N . 25541 1 593 . 1 1 48 48 LYS H H 1 7.662 0.030 . 1 . . . A 40 LYS H . 25541 1 594 . 1 1 48 48 LYS HA H 1 4.075 0.030 . 1 . . . A 40 LYS HA . 25541 1 595 . 1 1 48 48 LYS HB2 H 1 1.710 0.030 . 2 . . . A 40 LYS HB2 . 25541 1 596 . 1 1 48 48 LYS HB3 H 1 1.710 0.030 . 2 . . . A 40 LYS HB3 . 25541 1 597 . 1 1 48 48 LYS HG2 H 1 1.227 0.030 . 2 . . . A 40 LYS HG2 . 25541 1 598 . 1 1 48 48 LYS HG3 H 1 1.323 0.030 . 2 . . . A 40 LYS HG3 . 25541 1 599 . 1 1 48 48 LYS HD2 H 1 1.569 0.030 . 2 . . . A 40 LYS HD2 . 25541 1 600 . 1 1 48 48 LYS HD3 H 1 1.569 0.030 . 2 . . . A 40 LYS HD3 . 25541 1 601 . 1 1 48 48 LYS HE2 H 1 2.853 0.030 . 2 . . . A 40 LYS HE2 . 25541 1 602 . 1 1 48 48 LYS HE3 H 1 2.853 0.030 . 2 . . . A 40 LYS HE3 . 25541 1 603 . 1 1 48 48 LYS C C 13 176.354 0.300 . 1 . . . A 40 LYS C . 25541 1 604 . 1 1 48 48 LYS CA C 13 56.655 0.300 . 1 . . . A 40 LYS CA . 25541 1 605 . 1 1 48 48 LYS CB C 13 32.410 0.300 . 1 . . . A 40 LYS CB . 25541 1 606 . 1 1 48 48 LYS CG C 13 24.670 0.300 . 1 . . . A 40 LYS CG . 25541 1 607 . 1 1 48 48 LYS CD C 13 28.950 0.300 . 1 . . . A 40 LYS CD . 25541 1 608 . 1 1 48 48 LYS CE C 13 41.957 0.300 . 1 . . . A 40 LYS CE . 25541 1 609 . 1 1 48 48 LYS N N 15 119.277 0.300 . 1 . . . A 40 LYS N . 25541 1 610 . 1 1 49 49 VAL H H 1 7.688 0.030 . 1 . . . A 41 VAL H . 25541 1 611 . 1 1 49 49 VAL HA H 1 3.972 0.030 . 1 . . . A 41 VAL HA . 25541 1 612 . 1 1 49 49 VAL HB H 1 1.886 0.030 . 1 . . . A 41 VAL HB . 25541 1 613 . 1 1 49 49 VAL HG11 H 1 0.795 0.030 . 2 . . . A 41 VAL MG1 . 25541 1 614 . 1 1 49 49 VAL HG12 H 1 0.795 0.030 . 2 . . . A 41 VAL MG1 . 25541 1 615 . 1 1 49 49 VAL HG13 H 1 0.795 0.030 . 2 . . . A 41 VAL MG1 . 25541 1 616 . 1 1 49 49 VAL HG21 H 1 0.693 0.030 . 2 . . . A 41 VAL MG2 . 25541 1 617 . 1 1 49 49 VAL HG22 H 1 0.693 0.030 . 2 . . . A 41 VAL MG2 . 25541 1 618 . 1 1 49 49 VAL HG23 H 1 0.693 0.030 . 2 . . . A 41 VAL MG2 . 25541 1 619 . 1 1 49 49 VAL C C 13 174.195 0.300 . 1 . . . A 41 VAL C . 25541 1 620 . 1 1 49 49 VAL CA C 13 62.214 0.300 . 1 . . . A 41 VAL CA . 25541 1 621 . 1 1 49 49 VAL CB C 13 32.747 0.300 . 1 . . . A 41 VAL CB . 25541 1 622 . 1 1 49 49 VAL CG1 C 13 20.430 0.300 . 2 . . . A 41 VAL CG1 . 25541 1 623 . 1 1 49 49 VAL CG2 C 13 20.972 0.300 . 2 . . . A 41 VAL CG2 . 25541 1 624 . 1 1 49 49 VAL N N 15 119.095 0.300 . 1 . . . A 41 VAL N . 25541 1 625 . 1 1 50 50 TYR H H 1 8.164 0.030 . 1 . . . A 42 TYR H . 25541 1 626 . 1 1 50 50 TYR HA H 1 4.482 0.030 . 1 . . . A 42 TYR HA . 25541 1 627 . 1 1 50 50 TYR HB2 H 1 2.978 0.030 . 2 . . . A 42 TYR HB2 . 25541 1 628 . 1 1 50 50 TYR HB3 H 1 2.814 0.030 . 2 . . . A 42 TYR HB3 . 25541 1 629 . 1 1 50 50 TYR HD1 H 1 7.039 0.030 . 3 . . . A 42 TYR HD1 . 25541 1 630 . 1 1 50 50 TYR HD2 H 1 7.039 0.030 . 3 . . . A 42 TYR HD2 . 25541 1 631 . 1 1 50 50 TYR HE1 H 1 6.719 0.030 . 3 . . . A 42 TYR HE1 . 25541 1 632 . 1 1 50 50 TYR HE2 H 1 6.719 0.030 . 3 . . . A 42 TYR HE2 . 25541 1 633 . 1 1 50 50 TYR CA C 13 57.855 0.300 . 1 . . . A 42 TYR CA . 25541 1 634 . 1 1 50 50 TYR CB C 13 38.721 0.300 . 1 . . . A 42 TYR CB . 25541 1 635 . 1 1 50 50 TYR CD1 C 13 133.067 0.300 . 3 . . . A 42 TYR CD1 . 25541 1 636 . 1 1 50 50 TYR CD2 C 13 133.067 0.300 . 3 . . . A 42 TYR CD2 . 25541 1 637 . 1 1 50 50 TYR CE1 C 13 118.015 0.300 . 3 . . . A 42 TYR CE1 . 25541 1 638 . 1 1 50 50 TYR CE2 C 13 118.015 0.300 . 3 . . . A 42 TYR CE2 . 25541 1 639 . 1 1 50 50 TYR N N 15 123.606 0.300 . 1 . . . A 42 TYR N . 25541 1 640 . 1 1 51 51 HIS H H 1 7.761 0.030 . 1 . . . A 43 HIS H . 25541 1 641 . 1 1 51 51 HIS HA H 1 4.327 0.030 . 1 . . . A 43 HIS HA . 25541 1 642 . 1 1 51 51 HIS HB2 H 1 2.993 0.030 . 2 . . . A 43 HIS HB2 . 25541 1 643 . 1 1 51 51 HIS HB3 H 1 3.142 0.030 . 2 . . . A 43 HIS HB3 . 25541 1 644 . 1 1 51 51 HIS HD2 H 1 7.059 0.030 . 1 . . . A 43 HIS HD2 . 25541 1 645 . 1 1 51 51 HIS HE1 H 1 8.273 0.030 . 1 . . . A 43 HIS HE1 . 25541 1 646 . 1 1 51 51 HIS C C 13 174.214 0.300 . 1 . . . A 43 HIS C . 25541 1 647 . 1 1 51 51 HIS CA C 13 57.010 0.300 . 1 . . . A 43 HIS CA . 25541 1 648 . 1 1 51 51 HIS CB C 13 30.428 0.300 . 1 . . . A 43 HIS CB . 25541 1 649 . 1 1 51 51 HIS CD2 C 13 119.563 0.300 . 1 . . . A 43 HIS CD2 . 25541 1 650 . 1 1 51 51 HIS CE1 C 13 136.489 0.300 . 1 . . . A 43 HIS CE1 . 25541 1 651 . 1 1 51 51 HIS N N 15 125.118 0.300 . 1 . . . A 43 HIS N . 25541 1 stop_ save_