data_16636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16636 _Entry.Title ; NMR solution structure of the DNA binding domain of Competence protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-16 _Entry.Accession_date 2009-12-16 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Carey Hobbs . A. . . 16636 2 Benjamin Bobay . G. . . 16636 3 Richele Thompson . J. . . 16636 4 Marta Perego . . . . 16636 5 John Cavanagh . . . . 16636 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' . 16636 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 16636 '15N chemical shifts' 69 16636 '1H chemical shifts' 398 16636 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-05 . original BMRB . 16636 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KRF 'BMRB Entry Tracking System' 16636 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16636 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20302877 _Citation.Full_citation . _Citation.Title ; NMR solution structure and DNA-binding model of the DNA-binding domain of competence protein A. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 398 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 248 _Citation.Page_last 263 _Citation.Year 2010 _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 Carey Hobbs . A. . . 16636 1 2 Benjamin Bobay . G. . . 16636 1 3 Richele Thompson . J. . . 16636 1 4 Marta Perego . . . . 16636 1 5 John Cavanagh . . . . 16636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16636 _Assembly.ID 1 _Assembly.Name ComAC _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'ComAC 1' 1 $ComAC A . yes native no no . . . 16636 1 2 'ComAC 2' 1 $ComAC B . yes native no no . . . 16636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ComAC _Entity.Sf_category entity _Entity.Sf_framecode ComAC _Entity.Entry_ID 16636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ComAC _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 ; GSHMSSQKEQDVLTPRECLI LQEVEKGFTNQEIADALHLS KRSIEYSLTSIFNKLNVGSR TEAVLIAKSDGVL ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16636 1 2 . SER . 16636 1 3 . HIS . 16636 1 4 . MET . 16636 1 5 . SER . 16636 1 6 . SER . 16636 1 7 . GLN . 16636 1 8 . LYS . 16636 1 9 . GLU . 16636 1 10 . GLN . 16636 1 11 . ASP . 16636 1 12 . VAL . 16636 1 13 . LEU . 16636 1 14 . THR . 16636 1 15 . PRO . 16636 1 16 . ARG . 16636 1 17 . GLU . 16636 1 18 . CYS . 16636 1 19 . LEU . 16636 1 20 . ILE . 16636 1 21 . LEU . 16636 1 22 . GLN . 16636 1 23 . GLU . 16636 1 24 . VAL . 16636 1 25 . GLU . 16636 1 26 . LYS . 16636 1 27 . GLY . 16636 1 28 . PHE . 16636 1 29 . THR . 16636 1 30 . ASN . 16636 1 31 . GLN . 16636 1 32 . GLU . 16636 1 33 . ILE . 16636 1 34 . ALA . 16636 1 35 . ASP . 16636 1 36 . ALA . 16636 1 37 . LEU . 16636 1 38 . HIS . 16636 1 39 . LEU . 16636 1 40 . SER . 16636 1 41 . LYS . 16636 1 42 . ARG . 16636 1 43 . SER . 16636 1 44 . ILE . 16636 1 45 . GLU . 16636 1 46 . TYR . 16636 1 47 . SER . 16636 1 48 . LEU . 16636 1 49 . THR . 16636 1 50 . SER . 16636 1 51 . ILE . 16636 1 52 . PHE . 16636 1 53 . ASN . 16636 1 54 . LYS . 16636 1 55 . LEU . 16636 1 56 . ASN . 16636 1 57 . VAL . 16636 1 58 . GLY . 16636 1 59 . SER . 16636 1 60 . ARG . 16636 1 61 . THR . 16636 1 62 . GLU . 16636 1 63 . ALA . 16636 1 64 . VAL . 16636 1 65 . LEU . 16636 1 66 . ILE . 16636 1 67 . ALA . 16636 1 68 . LYS . 16636 1 69 . SER . 16636 1 70 . ASP . 16636 1 71 . GLY . 16636 1 72 . VAL . 16636 1 73 . LEU . 16636 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 16636 1 . SER 2 2 16636 1 . HIS 3 3 16636 1 . MET 4 4 16636 1 . SER 5 5 16636 1 . SER 6 6 16636 1 . GLN 7 7 16636 1 . LYS 8 8 16636 1 . GLU 9 9 16636 1 . GLN 10 10 16636 1 . ASP 11 11 16636 1 . VAL 12 12 16636 1 . LEU 13 13 16636 1 . THR 14 14 16636 1 . PRO 15 15 16636 1 . ARG 16 16 16636 1 . GLU 17 17 16636 1 . CYS 18 18 16636 1 . LEU 19 19 16636 1 . ILE 20 20 16636 1 . LEU 21 21 16636 1 . GLN 22 22 16636 1 . GLU 23 23 16636 1 . VAL 24 24 16636 1 . GLU 25 25 16636 1 . LYS 26 26 16636 1 . GLY 27 27 16636 1 . PHE 28 28 16636 1 . THR 29 29 16636 1 . ASN 30 30 16636 1 . GLN 31 31 16636 1 . GLU 32 32 16636 1 . ILE 33 33 16636 1 . ALA 34 34 16636 1 . ASP 35 35 16636 1 . ALA 36 36 16636 1 . LEU 37 37 16636 1 . HIS 38 38 16636 1 . LEU 39 39 16636 1 . SER 40 40 16636 1 . LYS 41 41 16636 1 . ARG 42 42 16636 1 . SER 43 43 16636 1 . ILE 44 44 16636 1 . GLU 45 45 16636 1 . TYR 46 46 16636 1 . SER 47 47 16636 1 . LEU 48 48 16636 1 . THR 49 49 16636 1 . SER 50 50 16636 1 . ILE 51 51 16636 1 . PHE 52 52 16636 1 . ASN 53 53 16636 1 . LYS 54 54 16636 1 . LEU 55 55 16636 1 . ASN 56 56 16636 1 . VAL 57 57 16636 1 . GLY 58 58 16636 1 . SER 59 59 16636 1 . ARG 60 60 16636 1 . THR 61 61 16636 1 . GLU 62 62 16636 1 . ALA 63 63 16636 1 . VAL 64 64 16636 1 . LEU 65 65 16636 1 . ILE 66 66 16636 1 . ALA 67 67 16636 1 . LYS 68 68 16636 1 . SER 69 69 16636 1 . ASP 70 70 16636 1 . GLY 71 71 16636 1 . VAL 72 72 16636 1 . LEU 73 73 16636 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 16636 _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 $ComAC . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . comA . 16636 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 16636 _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 $ComAC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28a . . . 16636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ComAC_1 _Sample.Sf_category sample _Sample.Sf_framecode ComAC_1 _Sample.Entry_ID 16636 _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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16636 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16636 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16636 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16636 1 5 ComAC '[U-13C; U-15N]' . . 1 $ComAC . . 1 . . mM . . . . 16636 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16636 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16636 1 stop_ save_ save_ComAC_2 _Sample.Sf_category sample _Sample.Sf_framecode ComAC_2 _Sample.Entry_ID 16636 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16636 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16636 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16636 2 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16636 2 5 ComAC '[U-13C; U-15N]' . . 1 $ComAC . . 1 . . mM . . . . 16636 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16636 2 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 16636 _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 pH 6.5 . pH 16636 1 temperature 288 . K 16636 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16636 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16636 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16636 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16636 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16636 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16636 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16636 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16636 3 'peak picking' 16636 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16636 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 16636 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16636 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16636 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16636 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16636 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16636 _Software.ID 6 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16636 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16636 6 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 16636 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 16636 _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 . . . 16636 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 16636 _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 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 5 '3D HNCO' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 6 '3D HNCACB' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $ComAC_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $ComAC_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16636 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 16636 _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 . . . . . 16636 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16636 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 16636 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 16636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16636 1 2 '2D 1H-13C HSQC' . . . 16636 1 3 '3D CBCA(CO)NH' . . . 16636 1 4 '3D C(CO)NH' . . . 16636 1 5 '3D HNCO' . . . 16636 1 6 '3D HNCACB' . . . 16636 1 7 '3D HN(CO)CA' . . . 16636 1 8 '3D H(CCO)NH' . . . 16636 1 9 '3D HCCH-TOCSY' . . . 16636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.837 . . 1 . . . . . 2 SER HA . 16636 1 2 . 1 1 2 2 SER C C 13 174.764 . . 1 . . . . . 2 SER C . 16636 1 3 . 1 1 2 2 SER CA C 13 59.017 . . 1 . . . . . 2 SER CA . 16636 1 4 . 1 1 2 2 SER CB C 13 64.746 . . 1 . . . . . 2 SER CB . 16636 1 5 . 1 1 3 3 HIS H H 1 9.093 . . 1 . . . . . 3 HIS HN . 16636 1 6 . 1 1 3 3 HIS HA H 1 5.043 . . 1 . . . . . 3 HIS HA . 16636 1 7 . 1 1 3 3 HIS HB2 H 1 3.546 . . 2 . . . . . 3 HIS HB2 . 16636 1 8 . 1 1 3 3 HIS C C 13 175.343 . . 1 . . . . . 3 HIS C . 16636 1 9 . 1 1 3 3 HIS CA C 13 56.641 . . 1 . . . . . 3 HIS CA . 16636 1 10 . 1 1 3 3 HIS CB C 13 30.490 . . 1 . . . . . 3 HIS CB . 16636 1 11 . 1 1 3 3 HIS N N 15 123.390 . . 1 . . . . . 3 HIS N . 16636 1 12 . 1 1 4 4 MET H H 1 8.857 . . 1 . . . . . 4 MET HN . 16636 1 13 . 1 1 4 4 MET HA H 1 4.860 . . 1 . . . . . 4 MET HA . 16636 1 14 . 1 1 4 4 MET HB2 H 1 2.531 . . 2 . . . . . 4 MET HB1 . 16636 1 15 . 1 1 4 4 MET HB3 H 1 2.430 . . 2 . . . . . 4 MET HB2 . 16636 1 16 . 1 1 4 4 MET HG2 H 1 2.872 . . 2 . . . . . 4 MET HG2 . 16636 1 17 . 1 1 4 4 MET C C 13 176.645 . . 1 . . . . . 4 MET C . 16636 1 18 . 1 1 4 4 MET CA C 13 56.390 . . 1 . . . . . 4 MET CA . 16636 1 19 . 1 1 4 4 MET CB C 13 33.524 . . 1 . . . . . 4 MET CB . 16636 1 20 . 1 1 4 4 MET CG C 13 32.451 . . 1 . . . . . 4 MET CG . 16636 1 21 . 1 1 4 4 MET N N 15 124.605 . . 1 . . . . . 4 MET N . 16636 1 22 . 1 1 5 5 SER H H 1 8.868 . . 1 . . . . . 5 SER HN . 16636 1 23 . 1 1 5 5 SER HA H 1 4.830 . . 1 . . . . . 5 SER HA . 16636 1 24 . 1 1 5 5 SER HB2 H 1 4.265 . . 2 . . . . . 5 SER HB2 . 16636 1 25 . 1 1 5 5 SER C C 13 175.042 . . 1 . . . . . 5 SER C . 16636 1 26 . 1 1 5 5 SER CA C 13 59.139 . . 1 . . . . . 5 SER CA . 16636 1 27 . 1 1 5 5 SER CB C 13 64.354 . . 1 . . . . . 5 SER CB . 16636 1 28 . 1 1 5 5 SER N N 15 119.569 . . 1 . . . . . 5 SER N . 16636 1 29 . 1 1 6 6 SER H H 1 8.822 . . 1 . . . . . 6 SER HN . 16636 1 30 . 1 1 6 6 SER HA H 1 4.852 . . 1 . . . . . 6 SER HA . 16636 1 31 . 1 1 6 6 SER HB2 H 1 4.054 . . 2 . . . . . 6 SER HB2 . 16636 1 32 . 1 1 6 6 SER CA C 13 56.259 . . 1 . . . . . 6 SER CA . 16636 1 33 . 1 1 6 6 SER N N 15 119.913 . . 1 . . . . . 6 SER N . 16636 1 34 . 1 1 7 7 GLN HA H 1 3.955 . . 1 . . . . . 7 GLN HA . 16636 1 35 . 1 1 7 7 GLN HB2 H 1 2.691 . . 2 . . . . . 7 GLN HB1 . 16636 1 36 . 1 1 7 7 GLN HB3 H 1 2.186 . . 2 . . . . . 7 GLN HB2 . 16636 1 37 . 1 1 7 7 GLN HG2 H 1 2.396 . . 2 . . . . . 7 GLN HG2 . 16636 1 38 . 1 1 7 7 GLN C C 13 176.347 . . 1 . . . . . 7 GLN C . 16636 1 39 . 1 1 7 7 GLN CA C 13 56.677 . . 1 . . . . . 7 GLN CA . 16636 1 40 . 1 1 7 7 GLN CB C 13 30.130 . . 1 . . . . . 7 GLN CB . 16636 1 41 . 1 1 7 7 GLN CG C 13 34.429 . . 1 . . . . . 7 GLN CG . 16636 1 42 . 1 1 8 8 LYS H H 1 8.787 . . 1 . . . . . 8 LYS HN . 16636 1 43 . 1 1 8 8 LYS HA H 1 4.664 . . 1 . . . . . 8 LYS HA . 16636 1 44 . 1 1 8 8 LYS HB2 H 1 2.104 . . 2 . . . . . 8 LYS HB1 . 16636 1 45 . 1 1 8 8 LYS HB3 H 1 2.324 . . 2 . . . . . 8 LYS HB2 . 16636 1 46 . 1 1 8 8 LYS HE2 H 1 2.711 . . 2 . . . . . 8 LYS HE1 . 16636 1 47 . 1 1 8 8 LYS HE3 H 1 3.353 . . 2 . . . . . 8 LYS HE2 . 16636 1 48 . 1 1 8 8 LYS HG2 H 1 1.796 . . 2 . . . . . 8 LYS HG2 . 16636 1 49 . 1 1 8 8 LYS C C 13 177.366 . . 1 . . . . . 8 LYS C . 16636 1 50 . 1 1 8 8 LYS CA C 13 57.068 . . 1 . . . . . 8 LYS CA . 16636 1 51 . 1 1 8 8 LYS CB C 13 33.644 . . 1 . . . . . 8 LYS CB . 16636 1 52 . 1 1 8 8 LYS CD C 13 29.573 . . 1 . . . . . 8 LYS CD . 16636 1 53 . 1 1 8 8 LYS CE C 13 42.697 . . 1 . . . . . 8 LYS CE . 16636 1 54 . 1 1 8 8 LYS CG C 13 25.198 . . 1 . . . . . 8 LYS CG . 16636 1 55 . 1 1 8 8 LYS N N 15 124.660 . . 1 . . . . . 8 LYS N . 16636 1 56 . 1 1 9 9 GLU H H 1 8.969 . . 1 . . . . . 9 GLU HN . 16636 1 57 . 1 1 9 9 GLU HA H 1 4.592 . . 1 . . . . . 9 GLU HA . 16636 1 58 . 1 1 9 9 GLU HB2 H 1 2.376 . . 2 . . . . . 9 GLU HB2 . 16636 1 59 . 1 1 9 9 GLU HG2 H 1 2.651 . . 2 . . . . . 9 GLU HG2 . 16636 1 60 . 1 1 9 9 GLU C C 13 177.176 . . 1 . . . . . 9 GLU C . 16636 1 61 . 1 1 9 9 GLU CA C 13 57.890 . . 1 . . . . . 9 GLU CA . 16636 1 62 . 1 1 9 9 GLU CB C 13 30.564 . . 1 . . . . . 9 GLU CB . 16636 1 63 . 1 1 9 9 GLU CG C 13 36.923 . . 1 . . . . . 9 GLU CG . 16636 1 64 . 1 1 9 9 GLU N N 15 124.482 . . 1 . . . . . 9 GLU N . 16636 1 65 . 1 1 10 10 GLN H H 1 8.780 . . 1 . . . . . 10 GLN HN . 16636 1 66 . 1 1 10 10 GLN HA H 1 4.671 . . 1 . . . . . 10 GLN HA . 16636 1 67 . 1 1 10 10 GLN HB2 H 1 2.440 . . 2 . . . . . 10 GLN HB2 . 16636 1 68 . 1 1 10 10 GLN HG2 H 1 2.751 . . 2 . . . . . 10 GLN HG2 . 16636 1 69 . 1 1 10 10 GLN C C 13 176.019 . . 1 . . . . . 10 GLN C . 16636 1 70 . 1 1 10 10 GLN CA C 13 56.792 . . 1 . . . . . 10 GLN CA . 16636 1 71 . 1 1 10 10 GLN CB C 13 30.156 . . 1 . . . . . 10 GLN CB . 16636 1 72 . 1 1 10 10 GLN CG C 13 34.172 . . 1 . . . . . 10 GLN CG . 16636 1 73 . 1 1 10 10 GLN N N 15 121.793 . . 1 . . . . . 10 GLN N . 16636 1 74 . 1 1 11 11 ASP H H 1 8.723 . . 1 . . . . . 11 ASP HN . 16636 1 75 . 1 1 11 11 ASP HA H 1 5.056 . . 1 . . . . . 11 ASP HA . 16636 1 76 . 1 1 11 11 ASP HB2 H 1 2.972 . . 2 . . . . . 11 ASP HB2 . 16636 1 77 . 1 1 11 11 ASP CA C 13 54.731 . . 1 . . . . . 11 ASP CA . 16636 1 78 . 1 1 11 11 ASP CB C 13 41.950 . . 1 . . . . . 11 ASP CB . 16636 1 79 . 1 1 11 11 ASP N N 15 123.287 . . 1 . . . . . 11 ASP N . 16636 1 80 . 1 1 12 12 VAL H H 1 8.161 . . 1 . . . . . 12 VAL HN . 16636 1 81 . 1 1 12 12 VAL HA H 1 4.413 . . 1 . . . . . 12 VAL HA . 16636 1 82 . 1 1 12 12 VAL HB H 1 2.432 . . 1 . . . . . 12 VAL HB . 16636 1 83 . 1 1 12 12 VAL HG11 H 1 1.306 . . 2 . . . . . 12 VAL HG11 . 16636 1 84 . 1 1 12 12 VAL HG12 H 1 1.306 . . 2 . . . . . 12 VAL HG11 . 16636 1 85 . 1 1 12 12 VAL HG13 H 1 1.306 . . 2 . . . . . 12 VAL HG11 . 16636 1 86 . 1 1 12 12 VAL HG21 H 1 1.129 . . 2 . . . . . 12 VAL HG21 . 16636 1 87 . 1 1 12 12 VAL HG22 H 1 1.129 . . 2 . . . . . 12 VAL HG21 . 16636 1 88 . 1 1 12 12 VAL HG23 H 1 1.129 . . 2 . . . . . 12 VAL HG21 . 16636 1 89 . 1 1 12 12 VAL C C 13 177.504 . . 1 . . . . . 12 VAL C . 16636 1 90 . 1 1 12 12 VAL CA C 13 63.179 . . 1 . . . . . 12 VAL CA . 16636 1 91 . 1 1 12 12 VAL CB C 13 33.943 . . 1 . . . . . 12 VAL CB . 16636 1 92 . 1 1 12 12 VAL CG1 C 13 21.501 . . 1 . . . . . 12 VAL CG1 . 16636 1 93 . 1 1 12 12 VAL CG2 C 13 24.651 . . 1 . . . . . 12 VAL CG2 . 16636 1 94 . 1 1 12 12 VAL N N 15 120.400 . . 1 . . . . . 12 VAL N . 16636 1 95 . 1 1 13 13 LEU H H 1 9.108 . . 1 . . . . . 13 LEU HN . 16636 1 96 . 1 1 13 13 LEU HA H 1 4.896 . . 1 . . . . . 13 LEU HA . 16636 1 97 . 1 1 13 13 LEU HB2 H 1 2.190 . . 2 . . . . . 13 LEU HB1 . 16636 1 98 . 1 1 13 13 LEU HB3 H 1 2.015 . . 2 . . . . . 13 LEU HB2 . 16636 1 99 . 1 1 13 13 LEU HD21 H 1 1.083 . . 2 . . . . . 13 LEU HD21 . 16636 1 100 . 1 1 13 13 LEU HD22 H 1 1.083 . . 2 . . . . . 13 LEU HD21 . 16636 1 101 . 1 1 13 13 LEU HD23 H 1 1.083 . . 2 . . . . . 13 LEU HD21 . 16636 1 102 . 1 1 13 13 LEU HG H 1 1.243 . . 1 . . . . . 13 LEU HG . 16636 1 103 . 1 1 13 13 LEU C C 13 178.188 . . 1 . . . . . 13 LEU C . 16636 1 104 . 1 1 13 13 LEU CA C 13 55.392 . . 1 . . . . . 13 LEU CA . 16636 1 105 . 1 1 13 13 LEU CB C 13 43.492 . . 1 . . . . . 13 LEU CB . 16636 1 106 . 1 1 13 13 LEU CD1 C 13 27.002 . . 1 . . . . . 13 LEU CD1 . 16636 1 107 . 1 1 13 13 LEU CD2 C 13 24.838 . . 1 . . . . . 13 LEU CD2 . 16636 1 108 . 1 1 13 13 LEU CG C 13 28.282 . . 1 . . . . . 13 LEU CG . 16636 1 109 . 1 1 13 13 LEU N N 15 126.722 . . 1 . . . . . 13 LEU N . 16636 1 110 . 1 1 14 14 THR H H 1 9.407 . . 1 . . . . . 14 THR HN . 16636 1 111 . 1 1 14 14 THR HA H 1 4.915 . . 1 . . . . . 14 THR HA . 16636 1 112 . 1 1 14 14 THR HB H 1 3.572 . . 1 . . . . . 14 THR HB . 16636 1 113 . 1 1 14 14 THR HG21 H 1 1.995 . . 1 . . . . . 14 THR HG21 . 16636 1 114 . 1 1 14 14 THR HG22 H 1 1.995 . . 1 . . . . . 14 THR HG21 . 16636 1 115 . 1 1 14 14 THR HG23 H 1 1.995 . . 1 . . . . . 14 THR HG21 . 16636 1 116 . 1 1 14 14 THR C C 13 175.548 . . 1 . . . . . 14 THR C . 16636 1 117 . 1 1 14 14 THR CA C 13 60.902 . . 1 . . . . . 14 THR CA . 16636 1 118 . 1 1 14 14 THR CB C 13 68.468 . . 1 . . . . . 14 THR CB . 16636 1 119 . 1 1 14 14 THR N N 15 117.267 . . 1 . . . . . 14 THR N . 16636 1 120 . 1 1 15 15 PRO HA H 1 4.163 . . 1 . . . . . 15 PRO HA . 16636 1 121 . 1 1 15 15 PRO HB2 H 1 2.189 . . 2 . . . . . 15 PRO HB1 . 16636 1 122 . 1 1 15 15 PRO HB3 H 1 2.070 . . 2 . . . . . 15 PRO HB2 . 16636 1 123 . 1 1 15 15 PRO HD2 H 1 3.380 . . 2 . . . . . 15 PRO HD2 . 16636 1 124 . 1 1 15 15 PRO HG2 H 1 1.868 . . 2 . . . . . 15 PRO HG2 . 16636 1 125 . 1 1 15 15 PRO C C 13 180.050 . . 1 . . . . . 15 PRO C . 16636 1 126 . 1 1 15 15 PRO CA C 13 67.248 . . 1 . . . . . 15 PRO CA . 16636 1 127 . 1 1 15 15 PRO CB C 13 32.389 . . 1 . . . . . 15 PRO CB . 16636 1 128 . 1 1 15 15 PRO CD C 13 50.793 . . 1 . . . . . 15 PRO CD . 16636 1 129 . 1 1 15 15 PRO CG C 13 28.702 . . 1 . . . . . 15 PRO CG . 16636 1 130 . 1 1 16 16 ARG H H 1 8.638 . . 1 . . . . . 16 ARG HN . 16636 1 131 . 1 1 16 16 ARG HA H 1 4.361 . . 1 . . . . . 16 ARG HA . 16636 1 132 . 1 1 16 16 ARG HB2 H 1 2.073 . . 2 . . . . . 16 ARG HB1 . 16636 1 133 . 1 1 16 16 ARG HB3 H 1 2.395 . . 2 . . . . . 16 ARG HB2 . 16636 1 134 . 1 1 16 16 ARG HD2 H 1 3.494 . . 2 . . . . . 16 ARG HD2 . 16636 1 135 . 1 1 16 16 ARG HG2 H 1 1.902 . . 2 . . . . . 16 ARG HG2 . 16636 1 136 . 1 1 16 16 ARG CA C 13 59.800 . . 1 . . . . . 16 ARG CA . 16636 1 137 . 1 1 16 16 ARG CB C 13 30.637 . . 1 . . . . . 16 ARG CB . 16636 1 138 . 1 1 16 16 ARG CD C 13 43.608 . . 1 . . . . . 16 ARG CD . 16636 1 139 . 1 1 16 16 ARG CG C 13 26.702 . . 1 . . . . . 16 ARG CG . 16636 1 140 . 1 1 16 16 ARG N N 15 120.236 . . 1 . . . . . 16 ARG N . 16636 1 141 . 1 1 17 17 GLU H H 1 8.078 . . 1 . . . . . 17 GLU HN . 16636 1 142 . 1 1 17 17 GLU HA H 1 4.047 . . 1 . . . . . 17 GLU HA . 16636 1 143 . 1 1 17 17 GLU HB2 H 1 2.062 . . 2 . . . . . 17 GLU HB2 . 16636 1 144 . 1 1 17 17 GLU HG2 H 1 2.501 . . 2 . . . . . 17 GLU HG1 . 16636 1 145 . 1 1 17 17 GLU HG3 H 1 2.790 . . 2 . . . . . 17 GLU HG2 . 16636 1 146 . 1 1 17 17 GLU C C 13 178.812 . . 1 . . . . . 17 GLU C . 16636 1 147 . 1 1 17 17 GLU CA C 13 60.461 . . 1 . . . . . 17 GLU CA . 16636 1 148 . 1 1 17 17 GLU CB C 13 30.049 . . 1 . . . . . 17 GLU CB . 16636 1 149 . 1 1 17 17 GLU CG C 13 38.075 . . 1 . . . . . 17 GLU CG . 16636 1 150 . 1 1 17 17 GLU N N 15 121.299 . . 1 . . . . . 17 GLU N . 16636 1 151 . 1 1 18 18 CYS H H 1 8.832 . . 1 . . . . . 18 CYS HN . 16636 1 152 . 1 1 18 18 CYS HA H 1 4.266 . . 1 . . . . . 18 CYS HA . 16636 1 153 . 1 1 18 18 CYS HB2 H 1 3.188 . . 2 . . . . . 18 CYS HB1 . 16636 1 154 . 1 1 18 18 CYS HB3 H 1 3.430 . . 2 . . . . . 18 CYS HB2 . 16636 1 155 . 1 1 18 18 CYS C C 13 176.940 . . 1 . . . . . 18 CYS C . 16636 1 156 . 1 1 18 18 CYS CA C 13 65.089 . . 1 . . . . . 18 CYS CA . 16636 1 157 . 1 1 18 18 CYS CB C 13 27.258 . . 1 . . . . . 18 CYS CB . 16636 1 158 . 1 1 18 18 CYS N N 15 119.030 . . 1 . . . . . 18 CYS N . 16636 1 159 . 1 1 19 19 LEU H H 1 8.229 . . 1 . . . . . 19 LEU HN . 16636 1 160 . 1 1 19 19 LEU HA H 1 4.476 . . 1 . . . . . 19 LEU HA . 16636 1 161 . 1 1 19 19 LEU HB2 H 1 1.268 . . 2 . . . . . 19 LEU HB1 . 16636 1 162 . 1 1 19 19 LEU HB3 H 1 2.057 . . 2 . . . . . 19 LEU HB2 . 16636 1 163 . 1 1 19 19 LEU HD11 H 1 1.282 . . 2 . . . . . 19 LEU HD11 . 16636 1 164 . 1 1 19 19 LEU HD12 H 1 1.282 . . 2 . . . . . 19 LEU HD11 . 16636 1 165 . 1 1 19 19 LEU HD13 H 1 1.282 . . 2 . . . . . 19 LEU HD11 . 16636 1 166 . 1 1 19 19 LEU HD21 H 1 0.967 . . 2 . . . . . 19 LEU HD21 . 16636 1 167 . 1 1 19 19 LEU HD22 H 1 0.967 . . 2 . . . . . 19 LEU HD21 . 16636 1 168 . 1 1 19 19 LEU HD23 H 1 0.967 . . 2 . . . . . 19 LEU HD21 . 16636 1 169 . 1 1 19 19 LEU HG H 1 2.157 . . 1 . . . . . 19 LEU HG . 16636 1 170 . 1 1 19 19 LEU C C 13 179.900 . . 1 . . . . . 19 LEU C . 16636 1 171 . 1 1 19 19 LEU CA C 13 58.264 . . 1 . . . . . 19 LEU CA . 16636 1 172 . 1 1 19 19 LEU CB C 13 42.611 . . 1 . . . . . 19 LEU CB . 16636 1 173 . 1 1 19 19 LEU CD1 C 13 25.077 . . 1 . . . . . 19 LEU CD1 . 16636 1 174 . 1 1 19 19 LEU CD2 C 13 19.615 . . 1 . . . . . 19 LEU CD2 . 16636 1 175 . 1 1 19 19 LEU CG C 13 27.106 . . 1 . . . . . 19 LEU CG . 16636 1 176 . 1 1 19 19 LEU N N 15 122.781 . . 1 . . . . . 19 LEU N . 16636 1 177 . 1 1 20 20 ILE H H 1 8.536 . . 1 . . . . . 20 ILE HN . 16636 1 178 . 1 1 20 20 ILE HA H 1 3.746 . . 1 . . . . . 20 ILE HA . 16636 1 179 . 1 1 20 20 ILE HB H 1 2.221 . . 1 . . . . . 20 ILE HB . 16636 1 180 . 1 1 20 20 ILE HD11 H 1 1.187 . . 1 . . . . . 20 ILE HD11 . 16636 1 181 . 1 1 20 20 ILE HD12 H 1 1.187 . . 1 . . . . . 20 ILE HD11 . 16636 1 182 . 1 1 20 20 ILE HD13 H 1 1.187 . . 1 . . . . . 20 ILE HD11 . 16636 1 183 . 1 1 20 20 ILE HG12 H 1 1.123 . . 1 . . . . . 20 ILE HG12 . 16636 1 184 . 1 1 20 20 ILE HG21 H 1 1.091 . . 2 . . . . . 20 ILE HG21 . 16636 1 185 . 1 1 20 20 ILE HG22 H 1 1.091 . . 2 . . . . . 20 ILE HG21 . 16636 1 186 . 1 1 20 20 ILE HG23 H 1 1.091 . . 2 . . . . . 20 ILE HG21 . 16636 1 187 . 1 1 20 20 ILE C C 13 178.578 . . 1 . . . . . 20 ILE C . 16636 1 188 . 1 1 20 20 ILE CA C 13 66.852 . . 1 . . . . . 20 ILE CA . 16636 1 189 . 1 1 20 20 ILE CB C 13 38.864 . . 1 . . . . . 20 ILE CB . 16636 1 190 . 1 1 20 20 ILE CD1 C 13 15.885 . . 1 . . . . . 20 ILE CD1 . 16636 1 191 . 1 1 20 20 ILE CG1 C 13 30.878 . . 2 . . . . . 20 ILE CG1 . 16636 1 192 . 1 1 20 20 ILE CG2 C 13 16.973 . . 1 . . . . . 20 ILE CG2 . 16636 1 193 . 1 1 20 20 ILE N N 15 120.457 . . 1 . . . . . 20 ILE N . 16636 1 194 . 1 1 21 21 LEU H H 1 8.615 . . 1 . . . . . 21 LEU HN . 16636 1 195 . 1 1 21 21 LEU HA H 1 4.315 . . 1 . . . . . 21 LEU HA . 16636 1 196 . 1 1 21 21 LEU HB2 H 1 1.150 . . 2 . . . . . 21 LEU HB2 . 16636 1 197 . 1 1 21 21 LEU HD11 H 1 1.222 . . 2 . . . . . 21 LEU HD11 . 16636 1 198 . 1 1 21 21 LEU HD12 H 1 1.222 . . 2 . . . . . 21 LEU HD11 . 16636 1 199 . 1 1 21 21 LEU HD13 H 1 1.222 . . 2 . . . . . 21 LEU HD11 . 16636 1 200 . 1 1 21 21 LEU HD21 H 1 1.163 . . 2 . . . . . 21 LEU HD21 . 16636 1 201 . 1 1 21 21 LEU HD22 H 1 1.163 . . 2 . . . . . 21 LEU HD21 . 16636 1 202 . 1 1 21 21 LEU HD23 H 1 1.163 . . 2 . . . . . 21 LEU HD21 . 16636 1 203 . 1 1 21 21 LEU HG H 1 2.208 . . 1 . . . . . 21 LEU HG . 16636 1 204 . 1 1 21 21 LEU C C 13 178.868 . . 1 . . . . . 21 LEU C . 16636 1 205 . 1 1 21 21 LEU CA C 13 58.477 . . 1 . . . . . 21 LEU CA . 16636 1 206 . 1 1 21 21 LEU CB C 13 42.537 . . 1 . . . . . 21 LEU CB . 16636 1 207 . 1 1 21 21 LEU CD1 C 13 24.295 . . 1 . . . . . 21 LEU CD1 . 16636 1 208 . 1 1 21 21 LEU CD2 C 13 26.991 . . 1 . . . . . 21 LEU CD2 . 16636 1 209 . 1 1 21 21 LEU CG C 13 25.655 . . 1 . . . . . 21 LEU CG . 16636 1 210 . 1 1 21 21 LEU N N 15 121.317 . . 1 . . . . . 21 LEU N . 16636 1 211 . 1 1 22 22 GLN H H 1 8.685 . . 1 . . . . . 22 GLN HN . 16636 1 212 . 1 1 22 22 GLN HA H 1 4.435 . . 1 . . . . . 22 GLN HA . 16636 1 213 . 1 1 22 22 GLN HB2 H 1 2.469 . . 2 . . . . . 22 GLN HB2 . 16636 1 214 . 1 1 22 22 GLN HG2 H 1 2.803 . . 2 . . . . . 22 GLN HG1 . 16636 1 215 . 1 1 22 22 GLN HG3 H 1 2.994 . . 2 . . . . . 22 GLN HG2 . 16636 1 216 . 1 1 22 22 GLN C C 13 176.109 . . 1 . . . . . 22 GLN C . 16636 1 217 . 1 1 22 22 GLN CA C 13 59.800 . . 1 . . . . . 22 GLN CA . 16636 1 218 . 1 1 22 22 GLN CB C 13 29.241 . . 1 . . . . . 22 GLN CB . 16636 1 219 . 1 1 22 22 GLN CG C 13 35.415 . . 1 . . . . . 22 GLN CG . 16636 1 220 . 1 1 22 22 GLN N N 15 120.712 . . 1 . . . . . 22 GLN N . 16636 1 221 . 1 1 23 23 GLU H H 1 8.162 . . 1 . . . . . 23 GLU HN . 16636 1 222 . 1 1 23 23 GLU HA H 1 4.652 . . 1 . . . . . 23 GLU HA . 16636 1 223 . 1 1 23 23 GLU HB2 H 1 2.535 . . 2 . . . . . 23 GLU HB1 . 16636 1 224 . 1 1 23 23 GLU HB3 H 1 2.646 . . 2 . . . . . 23 GLU HB2 . 16636 1 225 . 1 1 23 23 GLU HG2 H 1 2.998 . . 2 . . . . . 23 GLU HG2 . 16636 1 226 . 1 1 23 23 GLU C C 13 179.818 . . 1 . . . . . 23 GLU C . 16636 1 227 . 1 1 23 23 GLU CA C 13 58.698 . . 1 . . . . . 23 GLU CA . 16636 1 228 . 1 1 23 23 GLU CB C 13 30.564 . . 1 . . . . . 23 GLU CB . 16636 1 229 . 1 1 23 23 GLU CG C 13 35.060 . . 1 . . . . . 23 GLU CG . 16636 1 230 . 1 1 23 23 GLU N N 15 120.575 . . 1 . . . . . 23 GLU N . 16636 1 231 . 1 1 24 24 VAL H H 1 9.067 . . 1 . . . . . 24 VAL HN . 16636 1 232 . 1 1 24 24 VAL HA H 1 3.762 . . 1 . . . . . 24 VAL HA . 16636 1 233 . 1 1 24 24 VAL HB H 1 2.792 . . 1 . . . . . 24 VAL HB . 16636 1 234 . 1 1 24 24 VAL HG11 H 1 1.237 . . 2 . . . . . 24 VAL HG11 . 16636 1 235 . 1 1 24 24 VAL HG12 H 1 1.237 . . 2 . . . . . 24 VAL HG11 . 16636 1 236 . 1 1 24 24 VAL HG13 H 1 1.237 . . 2 . . . . . 24 VAL HG11 . 16636 1 237 . 1 1 24 24 VAL HG21 H 1 1.402 . . 2 . . . . . 24 VAL HG21 . 16636 1 238 . 1 1 24 24 VAL HG22 H 1 1.402 . . 2 . . . . . 24 VAL HG21 . 16636 1 239 . 1 1 24 24 VAL HG23 H 1 1.402 . . 2 . . . . . 24 VAL HG21 . 16636 1 240 . 1 1 24 24 VAL C C 13 175.342 . . 1 . . . . . 24 VAL C . 16636 1 241 . 1 1 24 24 VAL CA C 13 66.925 . . 1 . . . . . 24 VAL CA . 16636 1 242 . 1 1 24 24 VAL CB C 13 31.812 . . 1 . . . . . 24 VAL CB . 16636 1 243 . 1 1 24 24 VAL CG1 C 13 23.470 . . 1 . . . . . 24 VAL CG1 . 16636 1 244 . 1 1 24 24 VAL CG2 C 13 22.869 . . 1 . . . . . 24 VAL CG2 . 16636 1 245 . 1 1 24 24 VAL N N 15 124.450 . . 1 . . . . . 24 VAL N . 16636 1 246 . 1 1 25 25 GLU H H 1 8.862 . . 1 . . . . . 25 GLU HN . 16636 1 247 . 1 1 25 25 GLU HA H 1 4.462 . . 1 . . . . . 25 GLU HA . 16636 1 248 . 1 1 25 25 GLU HB2 H 1 2.037 . . 2 . . . . . 25 GLU HB1 . 16636 1 249 . 1 1 25 25 GLU HB3 H 1 1.790 . . 2 . . . . . 25 GLU HB2 . 16636 1 250 . 1 1 25 25 GLU HG2 H 1 2.627 . . 2 . . . . . 25 GLU HG1 . 16636 1 251 . 1 1 25 25 GLU HG3 H 1 2.401 . . 2 . . . . . 25 GLU HG2 . 16636 1 252 . 1 1 25 25 GLU C C 13 177.660 . . 1 . . . . . 25 GLU C . 16636 1 253 . 1 1 25 25 GLU CA C 13 59.873 . . 1 . . . . . 25 GLU CA . 16636 1 254 . 1 1 25 25 GLU CB C 13 29.682 . . 1 . . . . . 25 GLU CB . 16636 1 255 . 1 1 25 25 GLU CG C 13 36.302 . . 1 . . . . . 25 GLU CG . 16636 1 256 . 1 1 25 25 GLU N N 15 124.560 . . 1 . . . . . 25 GLU N . 16636 1 257 . 1 1 26 26 LYS H H 1 7.391 . . 1 . . . . . 26 LYS HN . 16636 1 258 . 1 1 26 26 LYS HA H 1 4.396 . . 1 . . . . . 26 LYS HA . 16636 1 259 . 1 1 26 26 LYS HB2 H 1 1.776 . . 2 . . . . . 26 LYS HB1 . 16636 1 260 . 1 1 26 26 LYS HB3 H 1 2.088 . . 2 . . . . . 26 LYS HB2 . 16636 1 261 . 1 1 26 26 LYS HD2 H 1 1.617 . . 2 . . . . . 26 LYS HD2 . 16636 1 262 . 1 1 26 26 LYS HE2 H 1 3.119 . . 2 . . . . . 26 LYS HE1 . 16636 1 263 . 1 1 26 26 LYS HE3 H 1 3.248 . . 2 . . . . . 26 LYS HE2 . 16636 1 264 . 1 1 26 26 LYS C C 13 177.153 . . 1 . . . . . 26 LYS C . 16636 1 265 . 1 1 26 26 LYS CA C 13 58.037 . . 1 . . . . . 26 LYS CA . 16636 1 266 . 1 1 26 26 LYS CB C 13 34.383 . . 1 . . . . . 26 LYS CB . 16636 1 267 . 1 1 26 26 LYS CD C 13 30.595 . . 1 . . . . . 26 LYS CD . 16636 1 268 . 1 1 26 26 LYS CE C 13 42.965 . . 1 . . . . . 26 LYS CE . 16636 1 269 . 1 1 26 26 LYS CG C 13 29.639 . . 1 . . . . . 26 LYS CG . 16636 1 270 . 1 1 26 26 LYS N N 15 118.186 . . 1 . . . . . 26 LYS N . 16636 1 271 . 1 1 27 27 GLY H H 1 8.385 . . 1 . . . . . 27 GLY HN . 16636 1 272 . 1 1 27 27 GLY HA2 H 1 4.021 . . 2 . . . . . 27 GLY HA1 . 16636 1 273 . 1 1 27 27 GLY HA3 H 1 4.534 . . 2 . . . . . 27 GLY HA2 . 16636 1 274 . 1 1 27 27 GLY C C 13 175.251 . . 1 . . . . . 27 GLY C . 16636 1 275 . 1 1 27 27 GLY CA C 13 45.549 . . 1 . . . . . 27 GLY CA . 16636 1 276 . 1 1 27 27 GLY N N 15 107.678 . . 1 . . . . . 27 GLY N . 16636 1 277 . 1 1 28 28 PHE H H 1 7.412 . . 1 . . . . . 28 PHE HN . 16636 1 278 . 1 1 28 28 PHE HA H 1 5.253 . . 1 . . . . . 28 PHE HA . 16636 1 279 . 1 1 28 28 PHE HB2 H 1 3.068 . . 2 . . . . . 28 PHE HB2 . 16636 1 280 . 1 1 28 28 PHE C C 13 177.644 . . 1 . . . . . 28 PHE C . 16636 1 281 . 1 1 28 28 PHE CA C 13 57.963 . . 1 . . . . . 28 PHE CA . 16636 1 282 . 1 1 28 28 PHE CB C 13 40.113 . . 1 . . . . . 28 PHE CB . 16636 1 283 . 1 1 28 28 PHE N N 15 121.809 . . 1 . . . . . 28 PHE N . 16636 1 284 . 1 1 29 29 THR H H 1 10.154 . . 1 . . . . . 29 THR HN . 16636 1 285 . 1 1 29 29 THR HA H 1 5.133 . . 1 . . . . . 29 THR HA . 16636 1 286 . 1 1 29 29 THR HB H 1 4.695 . . 1 . . . . . 29 THR HB . 16636 1 287 . 1 1 29 29 THR HG1 H 1 1.775 . . 1 . . . . . 29 THR HG1 . 16636 1 288 . 1 1 29 29 THR HG21 H 1 1.630 . . 1 . . . . . 29 THR HG21 . 16636 1 289 . 1 1 29 29 THR HG22 H 1 1.630 . . 1 . . . . . 29 THR HG21 . 16636 1 290 . 1 1 29 29 THR HG23 H 1 1.630 . . 1 . . . . . 29 THR HG21 . 16636 1 291 . 1 1 29 29 THR C C 13 175.263 . . 1 . . . . . 29 THR C . 16636 1 292 . 1 1 29 29 THR CA C 13 61.710 . . 1 . . . . . 29 THR CA . 16636 1 293 . 1 1 29 29 THR CB C 13 71.700 . . 1 . . . . . 29 THR CB . 16636 1 294 . 1 1 29 29 THR CG2 C 13 22.394 . . 1 . . . . . 29 THR CG2 . 16636 1 295 . 1 1 29 29 THR N N 15 117.373 . . 1 . . . . . 29 THR N . 16636 1 296 . 1 1 30 30 ASN H H 1 9.664 . . 1 . . . . . 30 ASN HN . 16636 1 297 . 1 1 30 30 ASN HA H 1 4.645 . . 1 . . . . . 30 ASN HA . 16636 1 298 . 1 1 30 30 ASN HB2 H 1 2.819 . . 2 . . . . . 30 ASN HB1 . 16636 1 299 . 1 1 30 30 ASN HB3 H 1 3.304 . . 2 . . . . . 30 ASN HB2 . 16636 1 300 . 1 1 30 30 ASN C C 13 177.964 . . 1 . . . . . 30 ASN C . 16636 1 301 . 1 1 30 30 ASN CA C 13 57.229 . . 1 . . . . . 30 ASN CA . 16636 1 302 . 1 1 30 30 ASN CB C 13 36.954 . . 1 . . . . . 30 ASN CB . 16636 1 303 . 1 1 30 30 ASN N N 15 121.997 . . 1 . . . . . 30 ASN N . 16636 1 304 . 1 1 31 31 GLN H H 1 9.058 . . 1 . . . . . 31 GLN HN . 16636 1 305 . 1 1 31 31 GLN HA H 1 4.169 . . 1 . . . . . 31 GLN HA . 16636 1 306 . 1 1 31 31 GLN HB2 H 1 2.265 . . 2 . . . . . 31 GLN HB2 . 16636 1 307 . 1 1 31 31 GLN HG2 H 1 2.604 . . 2 . . . . . 31 GLN HG1 . 16636 1 308 . 1 1 31 31 GLN HG3 H 1 2.739 . . 2 . . . . . 31 GLN HG2 . 16636 1 309 . 1 1 31 31 GLN C C 13 177.302 . . 1 . . . . . 31 GLN C . 16636 1 310 . 1 1 31 31 GLN CA C 13 58.918 . . 1 . . . . . 31 GLN CA . 16636 1 311 . 1 1 31 31 GLN CB C 13 29.902 . . 1 . . . . . 31 GLN CB . 16636 1 312 . 1 1 31 31 GLN CG C 13 34.115 . . 1 . . . . . 31 GLN CG . 16636 1 313 . 1 1 31 31 GLN N N 15 120.776 . . 1 . . . . . 31 GLN N . 16636 1 314 . 1 1 32 32 GLU H H 1 8.001 . . 1 . . . . . 32 GLU HN . 16636 1 315 . 1 1 32 32 GLU HA H 1 4.413 . . 1 . . . . . 32 GLU HA . 16636 1 316 . 1 1 32 32 GLU HB2 H 1 2.082 . . 2 . . . . . 32 GLU HB2 . 16636 1 317 . 1 1 32 32 GLU HG2 H 1 2.642 . . 2 . . . . . 32 GLU HG1 . 16636 1 318 . 1 1 32 32 GLU HG3 H 1 2.825 . . 2 . . . . . 32 GLU HG2 . 16636 1 319 . 1 1 32 32 GLU C C 13 180.791 . . 1 . . . . . 32 GLU C . 16636 1 320 . 1 1 32 32 GLU CA C 13 59.570 . . 1 . . . . . 32 GLU CA . 16636 1 321 . 1 1 32 32 GLU CB C 13 30.173 . . 1 . . . . . 32 GLU CB . 16636 1 322 . 1 1 32 32 GLU CG C 13 38.343 . . 1 . . . . . 32 GLU CG . 16636 1 323 . 1 1 32 32 GLU N N 15 121.269 . . 1 . . . . . 32 GLU N . 16636 1 324 . 1 1 33 33 ILE H H 1 8.988 . . 1 . . . . . 33 ILE HN . 16636 1 325 . 1 1 33 33 ILE HA H 1 3.934 . . 1 . . . . . 33 ILE HA . 16636 1 326 . 1 1 33 33 ILE HB H 1 2.487 . . 1 . . . . . 33 ILE HB . 16636 1 327 . 1 1 33 33 ILE HD11 H 1 1.123 . . 1 . . . . . 33 ILE HD11 . 16636 1 328 . 1 1 33 33 ILE HD12 H 1 1.123 . . 1 . . . . . 33 ILE HD11 . 16636 1 329 . 1 1 33 33 ILE HD13 H 1 1.123 . . 1 . . . . . 33 ILE HD11 . 16636 1 330 . 1 1 33 33 ILE HG12 H 1 1.117 . . 1 . . . . . 33 ILE HG11 . 16636 1 331 . 1 1 33 33 ILE HG13 H 1 1.215 . . 1 . . . . . 33 ILE HG12 . 16636 1 332 . 1 1 33 33 ILE HG21 H 1 2.198 . . 2 . . . . . 33 ILE HG21 . 16636 1 333 . 1 1 33 33 ILE HG22 H 1 2.198 . . 2 . . . . . 33 ILE HG21 . 16636 1 334 . 1 1 33 33 ILE HG23 H 1 2.198 . . 2 . . . . . 33 ILE HG21 . 16636 1 335 . 1 1 33 33 ILE C C 13 177.284 . . 1 . . . . . 33 ILE C . 16636 1 336 . 1 1 33 33 ILE CA C 13 66.484 . . 1 . . . . . 33 ILE CA . 16636 1 337 . 1 1 33 33 ILE CB C 13 38.864 . . 1 . . . . . 33 ILE CB . 16636 1 338 . 1 1 33 33 ILE CD1 C 13 14.780 . . 1 . . . . . 33 ILE CD1 . 16636 1 339 . 1 1 33 33 ILE CG1 C 13 29.880 . . 2 . . . . . 33 ILE CG1 . 16636 1 340 . 1 1 33 33 ILE CG2 C 13 18.823 . . 1 . . . . . 33 ILE CG2 . 16636 1 341 . 1 1 33 33 ILE N N 15 123.360 . . 1 . . . . . 33 ILE N . 16636 1 342 . 1 1 34 34 ALA H H 1 8.483 . . 1 . . . . . 34 ALA HN . 16636 1 343 . 1 1 34 34 ALA HA H 1 3.984 . . 1 . . . . . 34 ALA HA . 16636 1 344 . 1 1 34 34 ALA HB1 H 1 1.787 . . 1 . . . . . 34 ALA HB1 . 16636 1 345 . 1 1 34 34 ALA HB2 H 1 1.787 . . 1 . . . . . 34 ALA HB1 . 16636 1 346 . 1 1 34 34 ALA HB3 H 1 1.787 . . 1 . . . . . 34 ALA HB1 . 16636 1 347 . 1 1 34 34 ALA C C 13 180.058 . . 1 . . . . . 34 ALA C . 16636 1 348 . 1 1 34 34 ALA CA C 13 56.788 . . 1 . . . . . 34 ALA CA . 16636 1 349 . 1 1 34 34 ALA CB C 13 17.855 . . 1 . . . . . 34 ALA CB . 16636 1 350 . 1 1 34 34 ALA N N 15 125.146 . . 1 . . . . . 34 ALA N . 16636 1 351 . 1 1 35 35 ASP H H 1 8.646 . . 1 . . . . . 35 ASP HN . 16636 1 352 . 1 1 35 35 ASP HA H 1 4.677 . . 1 . . . . . 35 ASP HA . 16636 1 353 . 1 1 35 35 ASP HB2 H 1 2.983 . . 2 . . . . . 35 ASP HB2 . 16636 1 354 . 1 1 35 35 ASP C C 13 179.385 . . 1 . . . . . 35 ASP C . 16636 1 355 . 1 1 35 35 ASP CA C 13 57.669 . . 1 . . . . . 35 ASP CA . 16636 1 356 . 1 1 35 35 ASP CB C 13 40.627 . . 1 . . . . . 35 ASP CB . 16636 1 357 . 1 1 35 35 ASP N N 15 118.679 . . 1 . . . . . 35 ASP N . 16636 1 358 . 1 1 36 36 ALA H H 1 8.331 . . 1 . . . . . 36 ALA HN . 16636 1 359 . 1 1 36 36 ALA HA H 1 4.357 . . 1 . . . . . 36 ALA HA . 16636 1 360 . 1 1 36 36 ALA HB1 H 1 1.721 . . 1 . . . . . 36 ALA HB1 . 16636 1 361 . 1 1 36 36 ALA HB2 H 1 1.721 . . 1 . . . . . 36 ALA HB1 . 16636 1 362 . 1 1 36 36 ALA HB3 H 1 1.721 . . 1 . . . . . 36 ALA HB1 . 16636 1 363 . 1 1 36 36 ALA C C 13 179.948 . . 1 . . . . . 36 ALA C . 16636 1 364 . 1 1 36 36 ALA CA C 13 55.319 . . 1 . . . . . 36 ALA CA . 16636 1 365 . 1 1 36 36 ALA CB C 13 19.031 . . 1 . . . . . 36 ALA CB . 16636 1 366 . 1 1 36 36 ALA N N 15 124.797 . . 1 . . . . . 36 ALA N . 16636 1 367 . 1 1 37 37 LEU H H 1 8.443 . . 1 . . . . . 37 LEU HN . 16636 1 368 . 1 1 37 37 LEU HA H 1 4.573 . . 1 . . . . . 37 LEU HA . 16636 1 369 . 1 1 37 37 LEU HB2 H 1 1.080 . . 2 . . . . . 37 LEU HB2 . 16636 1 370 . 1 1 37 37 LEU HD11 H 1 1.045 . . 2 . . . . . 37 LEU HD11 . 16636 1 371 . 1 1 37 37 LEU HD12 H 1 1.045 . . 2 . . . . . 37 LEU HD11 . 16636 1 372 . 1 1 37 37 LEU HD13 H 1 1.045 . . 2 . . . . . 37 LEU HD11 . 16636 1 373 . 1 1 37 37 LEU HD21 H 1 1.102 . . 2 . . . . . 37 LEU HD21 . 16636 1 374 . 1 1 37 37 LEU HD22 H 1 1.102 . . 2 . . . . . 37 LEU HD21 . 16636 1 375 . 1 1 37 37 LEU HD23 H 1 1.102 . . 2 . . . . . 37 LEU HD21 . 16636 1 376 . 1 1 37 37 LEU HG H 1 2.153 . . 1 . . . . . 37 LEU HG . 16636 1 377 . 1 1 37 37 LEU C C 13 176.476 . . 1 . . . . . 37 LEU C . 16636 1 378 . 1 1 37 37 LEU CA C 13 55.144 . . 1 . . . . . 37 LEU CA . 16636 1 379 . 1 1 37 37 LEU CB C 13 42.170 . . 1 . . . . . 37 LEU CB . 16636 1 380 . 1 1 37 37 LEU CD1 C 13 26.276 . . 1 . . . . . 37 LEU CD1 . 16636 1 381 . 1 1 37 37 LEU CD2 C 13 23.107 . . 1 . . . . . 37 LEU CD2 . 16636 1 382 . 1 1 37 37 LEU CG C 13 28.154 . . 1 . . . . . 37 LEU CG . 16636 1 383 . 1 1 37 37 LEU N N 15 116.945 . . 1 . . . . . 37 LEU N . 16636 1 384 . 1 1 38 38 HIS H H 1 8.103 . . 1 . . . . . 38 HIS HN . 16636 1 385 . 1 1 38 38 HIS HA H 1 4.676 . . 1 . . . . . 38 HIS HA . 16636 1 386 . 1 1 38 38 HIS HB2 H 1 2.390 . . 2 . . . . . 38 HIS HB1 . 16636 1 387 . 1 1 38 38 HIS HB3 H 1 2.739 . . 2 . . . . . 38 HIS HB2 . 16636 1 388 . 1 1 38 38 HIS C C 13 174.242 . . 1 . . . . . 38 HIS C . 16636 1 389 . 1 1 38 38 HIS CA C 13 56.861 . . 1 . . . . . 38 HIS CA . 16636 1 390 . 1 1 38 38 HIS CB C 13 26.230 . . 1 . . . . . 38 HIS CB . 16636 1 391 . 1 1 38 38 HIS N N 15 118.104 . . 1 . . . . . 38 HIS N . 16636 1 392 . 1 1 39 39 LEU H H 1 8.821 . . 1 . . . . . 39 LEU HN . 16636 1 393 . 1 1 39 39 LEU HA H 1 5.191 . . 1 . . . . . 39 LEU HA . 16636 1 394 . 1 1 39 39 LEU HB2 H 1 1.088 . . 2 . . . . . 39 LEU HB1 . 16636 1 395 . 1 1 39 39 LEU HB3 H 1 1.288 . . 2 . . . . . 39 LEU HB2 . 16636 1 396 . 1 1 39 39 LEU HD11 H 1 1.226 . . 2 . . . . . 39 LEU HD11 . 16636 1 397 . 1 1 39 39 LEU HD12 H 1 1.226 . . 2 . . . . . 39 LEU HD11 . 16636 1 398 . 1 1 39 39 LEU HD13 H 1 1.226 . . 2 . . . . . 39 LEU HD11 . 16636 1 399 . 1 1 39 39 LEU HG H 1 1.932 . . 1 . . . . . 39 LEU HG . 16636 1 400 . 1 1 39 39 LEU C C 13 176.183 . . 1 . . . . . 39 LEU C . 16636 1 401 . 1 1 39 39 LEU CA C 13 53.115 . . 1 . . . . . 39 LEU CA . 16636 1 402 . 1 1 39 39 LEU CB C 13 47.679 . . 1 . . . . . 39 LEU CB . 16636 1 403 . 1 1 39 39 LEU CD1 C 13 23.218 . . 1 . . . . . 39 LEU CD1 . 16636 1 404 . 1 1 39 39 LEU CG C 13 26.183 . . 1 . . . . . 39 LEU CG . 16636 1 405 . 1 1 39 39 LEU N N 15 121.598 . . 1 . . . . . 39 LEU N . 16636 1 406 . 1 1 40 40 SER H H 1 8.856 . . 1 . . . . . 40 SER HN . 16636 1 407 . 1 1 40 40 SER HA H 1 4.815 . . 1 . . . . . 40 SER HA . 16636 1 408 . 1 1 40 40 SER HB2 H 1 4.251 . . 2 . . . . . 40 SER HB1 . 16636 1 409 . 1 1 40 40 SER HB3 H 1 4.309 . . 2 . . . . . 40 SER HB2 . 16636 1 410 . 1 1 40 40 SER C C 13 176.068 . . 1 . . . . . 40 SER C . 16636 1 411 . 1 1 40 40 SER CA C 13 57.743 . . 1 . . . . . 40 SER CA . 16636 1 412 . 1 1 40 40 SER CB C 13 65.089 . . 1 . . . . . 40 SER CB . 16636 1 413 . 1 1 40 40 SER N N 15 117.041 . . 1 . . . . . 40 SER N . 16636 1 414 . 1 1 41 41 LYS H H 1 9.471 . . 1 . . . . . 41 LYS HN . 16636 1 415 . 1 1 41 41 LYS HA H 1 4.064 . . 1 . . . . . 41 LYS HA . 16636 1 416 . 1 1 41 41 LYS HB2 H 1 2.038 . . 2 . . . . . 41 LYS HB1 . 16636 1 417 . 1 1 41 41 LYS HB3 H 1 2.141 . . 2 . . . . . 41 LYS HB2 . 16636 1 418 . 1 1 41 41 LYS HD2 H 1 1.753 . . 2 . . . . . 41 LYS HD1 . 16636 1 419 . 1 1 41 41 LYS HD3 H 1 1.515 . . 2 . . . . . 41 LYS HD2 . 16636 1 420 . 1 1 41 41 LYS HE2 H 1 3.363 . . 2 . . . . . 41 LYS HE2 . 16636 1 421 . 1 1 41 41 LYS HG2 H 1 1.161 . . 2 . . . . . 41 LYS HG2 . 16636 1 422 . 1 1 41 41 LYS C C 13 178.829 . . 1 . . . . . 41 LYS C . 16636 1 423 . 1 1 41 41 LYS CA C 13 61.416 . . 1 . . . . . 41 LYS CA . 16636 1 424 . 1 1 41 41 LYS CB C 13 32.547 . . 1 . . . . . 41 LYS CB . 16636 1 425 . 1 1 41 41 LYS CD C 13 29.726 . . 1 . . . . . 41 LYS CD . 16636 1 426 . 1 1 41 41 LYS CE C 13 42.232 . . 1 . . . . . 41 LYS CE . 16636 1 427 . 1 1 41 41 LYS CG C 13 25.969 . . 1 . . . . . 41 LYS CG . 16636 1 428 . 1 1 41 41 LYS N N 15 126.375 . . 1 . . . . . 41 LYS N . 16636 1 429 . 1 1 42 42 ARG H H 1 8.775 . . 1 . . . . . 42 ARG HN . 16636 1 430 . 1 1 42 42 ARG HA H 1 4.442 . . 1 . . . . . 42 ARG HA . 16636 1 431 . 1 1 42 42 ARG HB2 H 1 2.049 . . 2 . . . . . 42 ARG HB1 . 16636 1 432 . 1 1 42 42 ARG HB3 H 1 2.174 . . 2 . . . . . 42 ARG HB2 . 16636 1 433 . 1 1 42 42 ARG HD2 H 1 3.536 . . 2 . . . . . 42 ARG HD2 . 16636 1 434 . 1 1 42 42 ARG HG2 H 1 1.252 . . 2 . . . . . 42 ARG HG2 . 16636 1 435 . 1 1 42 42 ARG C C 13 178.646 . . 1 . . . . . 42 ARG C . 16636 1 436 . 1 1 42 42 ARG CA C 13 59.506 . . 1 . . . . . 42 ARG CA . 16636 1 437 . 1 1 42 42 ARG CB C 13 30.417 . . 1 . . . . . 42 ARG CB . 16636 1 438 . 1 1 42 42 ARG CD C 13 43.844 . . 1 . . . . . 42 ARG CD . 16636 1 439 . 1 1 42 42 ARG CG C 13 27.340 . . 1 . . . . . 42 ARG CG . 16636 1 440 . 1 1 42 42 ARG N N 15 120.034 . . 1 . . . . . 42 ARG N . 16636 1 441 . 1 1 43 43 SER H H 1 8.358 . . 1 . . . . . 43 SER HN . 16636 1 442 . 1 1 43 43 SER HA H 1 4.619 . . 1 . . . . . 43 SER HA . 16636 1 443 . 1 1 43 43 SER C C 13 178.004 . . 1 . . . . . 43 SER C . 16636 1 444 . 1 1 43 43 SER CA C 13 62.444 . . 1 . . . . . 43 SER CA . 16636 1 445 . 1 1 43 43 SER CB C 13 63.473 . . 1 . . . . . 43 SER CB . 16636 1 446 . 1 1 43 43 SER N N 15 118.122 . . 1 . . . . . 43 SER N . 16636 1 447 . 1 1 44 44 ILE H H 1 8.095 . . 1 . . . . . 44 ILE HN . 16636 1 448 . 1 1 44 44 ILE HA H 1 4.060 . . 1 . . . . . 44 ILE HA . 16636 1 449 . 1 1 44 44 ILE HB H 1 2.153 . . 1 . . . . . 44 ILE HB . 16636 1 450 . 1 1 44 44 ILE HD11 H 1 1.165 . . 1 . . . . . 44 ILE HD11 . 16636 1 451 . 1 1 44 44 ILE HD12 H 1 1.165 . . 1 . . . . . 44 ILE HD11 . 16636 1 452 . 1 1 44 44 ILE HD13 H 1 1.165 . . 1 . . . . . 44 ILE HD11 . 16636 1 453 . 1 1 44 44 ILE HG12 H 1 1.184 . . 1 . . . . . 44 ILE HG11 . 16636 1 454 . 1 1 44 44 ILE HG13 H 1 1.599 . . 1 . . . . . 44 ILE HG12 . 16636 1 455 . 1 1 44 44 ILE HG21 H 1 1.029 . . 2 . . . . . 44 ILE HG21 . 16636 1 456 . 1 1 44 44 ILE HG22 H 1 1.029 . . 2 . . . . . 44 ILE HG21 . 16636 1 457 . 1 1 44 44 ILE HG23 H 1 1.029 . . 2 . . . . . 44 ILE HG21 . 16636 1 458 . 1 1 44 44 ILE C C 13 178.124 . . 1 . . . . . 44 ILE C . 16636 1 459 . 1 1 44 44 ILE CA C 13 63.032 . . 1 . . . . . 44 ILE CA . 16636 1 460 . 1 1 44 44 ILE CB C 13 35.926 . . 1 . . . . . 44 ILE CB . 16636 1 461 . 1 1 44 44 ILE CD1 C 13 11.636 . . 1 . . . . . 44 ILE CD1 . 16636 1 462 . 1 1 44 44 ILE CG1 C 13 27.944 . . 2 . . . . . 44 ILE CG1 . 16636 1 463 . 1 1 44 44 ILE CG2 C 13 17.572 . . 1 . . . . . 44 ILE CG2 . 16636 1 464 . 1 1 44 44 ILE N N 15 124.197 . . 1 . . . . . 44 ILE N . 16636 1 465 . 1 1 45 45 GLU H H 1 8.740 . . 1 . . . . . 45 GLU HN . 16636 1 466 . 1 1 45 45 GLU HA H 1 4.160 . . 1 . . . . . 45 GLU HA . 16636 1 467 . 1 1 45 45 GLU HB2 H 1 2.348 . . 2 . . . . . 45 GLU HB2 . 16636 1 468 . 1 1 45 45 GLU HG2 H 1 2.572 . . 2 . . . . . 45 GLU HG2 . 16636 1 469 . 1 1 45 45 GLU C C 13 178.477 . . 1 . . . . . 45 GLU C . 16636 1 470 . 1 1 45 45 GLU CA C 13 60.681 . . 1 . . . . . 45 GLU CA . 16636 1 471 . 1 1 45 45 GLU CB C 13 29.535 . . 1 . . . . . 45 GLU CB . 16636 1 472 . 1 1 45 45 GLU CG C 13 37.493 . . 1 . . . . . 45 GLU CG . 16636 1 473 . 1 1 45 45 GLU N N 15 121.575 . . 1 . . . . . 45 GLU N . 16636 1 474 . 1 1 46 46 TYR H H 1 8.942 . . 1 . . . . . 46 TYR HN . 16636 1 475 . 1 1 46 46 TYR HA H 1 4.686 . . 1 . . . . . 46 TYR HA . 16636 1 476 . 1 1 46 46 TYR HB2 H 1 3.386 . . 2 . . . . . 46 TYR HB1 . 16636 1 477 . 1 1 46 46 TYR HB3 H 1 3.552 . . 2 . . . . . 46 TYR HB2 . 16636 1 478 . 1 1 46 46 TYR C C 13 180.009 . . 1 . . . . . 46 TYR C . 16636 1 479 . 1 1 46 46 TYR CA C 13 61.508 . . 1 . . . . . 46 TYR CA . 16636 1 480 . 1 1 46 46 TYR CB C 13 38.380 . . 1 . . . . . 46 TYR CB . 16636 1 481 . 1 1 46 46 TYR N N 15 122.762 . . 1 . . . . . 46 TYR N . 16636 1 482 . 1 1 47 47 SER H H 1 8.763 . . 1 . . . . . 47 SER HN . 16636 1 483 . 1 1 47 47 SER HA H 1 4.763 . . 1 . . . . . 47 SER HA . 16636 1 484 . 1 1 47 47 SER C C 13 176.335 . . 1 . . . . . 47 SER C . 16636 1 485 . 1 1 47 47 SER CA C 13 63.619 . . 1 . . . . . 47 SER CA . 16636 1 486 . 1 1 47 47 SER CB C 13 64.648 . . 1 . . . . . 47 SER CB . 16636 1 487 . 1 1 47 47 SER N N 15 120.509 . . 1 . . . . . 47 SER N . 16636 1 488 . 1 1 48 48 LEU H H 1 8.982 . . 1 . . . . . 48 LEU HN . 16636 1 489 . 1 1 48 48 LEU HA H 1 4.059 . . 1 . . . . . 48 LEU HA . 16636 1 490 . 1 1 48 48 LEU HB2 H 1 1.825 . . 2 . . . . . 48 LEU HB2 . 16636 1 491 . 1 1 48 48 LEU HD11 H 1 1.176 . . 2 . . . . . 48 LEU HD11 . 16636 1 492 . 1 1 48 48 LEU HD12 H 1 1.176 . . 2 . . . . . 48 LEU HD11 . 16636 1 493 . 1 1 48 48 LEU HD13 H 1 1.176 . . 2 . . . . . 48 LEU HD11 . 16636 1 494 . 1 1 48 48 LEU HD21 H 1 1.025 . . 2 . . . . . 48 LEU HD21 . 16636 1 495 . 1 1 48 48 LEU HD22 H 1 1.025 . . 2 . . . . . 48 LEU HD21 . 16636 1 496 . 1 1 48 48 LEU HD23 H 1 1.025 . . 2 . . . . . 48 LEU HD21 . 16636 1 497 . 1 1 48 48 LEU HG H 1 2.051 . . 1 . . . . . 48 LEU HG . 16636 1 498 . 1 1 48 48 LEU C C 13 177.469 . . 1 . . . . . 48 LEU C . 16636 1 499 . 1 1 48 48 LEU CA C 13 58.845 . . 1 . . . . . 48 LEU CA . 16636 1 500 . 1 1 48 48 LEU CB C 13 41.435 . . 1 . . . . . 48 LEU CB . 16636 1 501 . 1 1 48 48 LEU CD1 C 13 23.686 . . 1 . . . . . 48 LEU CD1 . 16636 1 502 . 1 1 48 48 LEU CD2 C 13 25.650 . . 1 . . . . . 48 LEU CD2 . 16636 1 503 . 1 1 48 48 LEU CG C 13 26.844 . . 1 . . . . . 48 LEU CG . 16636 1 504 . 1 1 48 48 LEU N N 15 125.010 . . 1 . . . . . 48 LEU N . 16636 1 505 . 1 1 49 49 THR H H 1 8.152 . . 1 . . . . . 49 THR HN . 16636 1 506 . 1 1 49 49 THR HA H 1 4.497 . . 1 . . . . . 49 THR HA . 16636 1 507 . 1 1 49 49 THR HB H 1 3.914 . . 1 . . . . . 49 THR HB . 16636 1 508 . 1 1 49 49 THR HG21 H 1 1.576 . . 1 . . . . . 49 THR HG21 . 16636 1 509 . 1 1 49 49 THR HG22 H 1 1.576 . . 1 . . . . . 49 THR HG21 . 16636 1 510 . 1 1 49 49 THR HG23 H 1 1.576 . . 1 . . . . . 49 THR HG21 . 16636 1 511 . 1 1 49 49 THR C C 13 176.481 . . 1 . . . . . 49 THR C . 16636 1 512 . 1 1 49 49 THR CA C 13 67.733 . . 1 . . . . . 49 THR CA . 16636 1 513 . 1 1 49 49 THR CB C 13 68.982 . . 1 . . . . . 49 THR CB . 16636 1 514 . 1 1 49 49 THR CG2 C 13 22.453 . . 1 . . . . . 49 THR CG2 . 16636 1 515 . 1 1 49 49 THR N N 15 117.304 . . 1 . . . . . 49 THR N . 16636 1 516 . 1 1 50 50 SER H H 1 7.750 . . 1 . . . . . 50 SER HN . 16636 1 517 . 1 1 50 50 SER HA H 1 4.557 . . 1 . . . . . 50 SER HA . 16636 1 518 . 1 1 50 50 SER C C 13 177.448 . . 1 . . . . . 50 SER C . 16636 1 519 . 1 1 50 50 SER CA C 13 61.636 . . 1 . . . . . 50 SER CA . 16636 1 520 . 1 1 50 50 SER CB C 13 63.105 . . 1 . . . . . 50 SER CB . 16636 1 521 . 1 1 50 50 SER N N 15 117.612 . . 1 . . . . . 50 SER N . 16636 1 522 . 1 1 51 51 ILE H H 1 8.895 . . 1 . . . . . 51 ILE HN . 16636 1 523 . 1 1 51 51 ILE HA H 1 3.672 . . 1 . . . . . 51 ILE HA . 16636 1 524 . 1 1 51 51 ILE HB H 1 2.349 . . 1 . . . . . 51 ILE HB . 16636 1 525 . 1 1 51 51 ILE HD11 H 1 1.319 . . 1 . . . . . 51 ILE HD11 . 16636 1 526 . 1 1 51 51 ILE HD12 H 1 1.319 . . 1 . . . . . 51 ILE HD11 . 16636 1 527 . 1 1 51 51 ILE HD13 H 1 1.319 . . 1 . . . . . 51 ILE HD11 . 16636 1 528 . 1 1 51 51 ILE HG12 H 1 1.248 . . 1 . . . . . 51 ILE HG12 . 16636 1 529 . 1 1 51 51 ILE HG21 H 1 1.827 . . 2 . . . . . 51 ILE HG21 . 16636 1 530 . 1 1 51 51 ILE HG22 H 1 1.827 . . 2 . . . . . 51 ILE HG21 . 16636 1 531 . 1 1 51 51 ILE HG23 H 1 1.827 . . 2 . . . . . 51 ILE HG21 . 16636 1 532 . 1 1 51 51 ILE C C 13 177.775 . . 1 . . . . . 51 ILE C . 16636 1 533 . 1 1 51 51 ILE CA C 13 66.705 . . 1 . . . . . 51 ILE CA . 16636 1 534 . 1 1 51 51 ILE CB C 13 38.864 . . 1 . . . . . 51 ILE CB . 16636 1 535 . 1 1 51 51 ILE CD1 C 13 14.246 . . 1 . . . . . 51 ILE CD1 . 16636 1 536 . 1 1 51 51 ILE CG1 C 13 29.914 . . 2 . . . . . 51 ILE CG1 . 16636 1 537 . 1 1 51 51 ILE CG2 C 13 19.077 . . 1 . . . . . 51 ILE CG2 . 16636 1 538 . 1 1 51 51 ILE N N 15 123.035 . . 1 . . . . . 51 ILE N . 16636 1 539 . 1 1 52 52 PHE H H 1 9.272 . . 1 . . . . . 52 PHE HN . 16636 1 540 . 1 1 52 52 PHE HA H 1 4.721 . . 1 . . . . . 52 PHE HA . 16636 1 541 . 1 1 52 52 PHE HB2 H 1 3.651 . . 2 . . . . . 52 PHE HB1 . 16636 1 542 . 1 1 52 52 PHE C C 13 179.508 . . 1 . . . . . 52 PHE C . 16636 1 543 . 1 1 52 52 PHE CA C 13 58.477 . . 1 . . . . . 52 PHE CA . 16636 1 544 . 1 1 52 52 PHE CB C 13 36.514 . . 1 . . . . . 52 PHE CB . 16636 1 545 . 1 1 52 52 PHE N N 15 121.012 . . 1 . . . . . 52 PHE N . 16636 1 546 . 1 1 53 53 ASN H H 1 8.431 . . 1 . . . . . 53 ASN HN . 16636 1 547 . 1 1 53 53 ASN HA H 1 5.012 . . 1 . . . . . 53 ASN HA . 16636 1 548 . 1 1 53 53 ASN HB2 H 1 2.809 . . 2 . . . . . 53 ASN HB2 . 16636 1 549 . 1 1 53 53 ASN C C 13 179.987 . . 1 . . . . . 53 ASN C . 16636 1 550 . 1 1 53 53 ASN CA C 13 56.568 . . 1 . . . . . 53 ASN CA . 16636 1 551 . 1 1 53 53 ASN CB C 13 39.232 . . 1 . . . . . 53 ASN CB . 16636 1 552 . 1 1 53 53 ASN N N 15 119.329 . . 1 . . . . . 53 ASN N . 16636 1 553 . 1 1 54 54 LYS H H 1 8.953 . . 1 . . . . . 54 LYS HN . 16636 1 554 . 1 1 54 54 LYS HA H 1 4.430 . . 1 . . . . . 54 LYS HA . 16636 1 555 . 1 1 54 54 LYS HB2 H 1 1.803 . . 2 . . . . . 54 LYS HB1 . 16636 1 556 . 1 1 54 54 LYS HB3 H 1 2.184 . . 2 . . . . . 54 LYS HB2 . 16636 1 557 . 1 1 54 54 LYS HE2 H 1 3.305 . . 2 . . . . . 54 LYS HE2 . 16636 1 558 . 1 1 54 54 LYS C C 13 179.027 . . 1 . . . . . 54 LYS C . 16636 1 559 . 1 1 54 54 LYS CA C 13 60.755 . . 1 . . . . . 54 LYS CA . 16636 1 560 . 1 1 54 54 LYS CB C 13 34.265 . . 1 . . . . . 54 LYS CB . 16636 1 561 . 1 1 54 54 LYS CD C 13 31.865 . . 1 . . . . . 54 LYS CD . 16636 1 562 . 1 1 54 54 LYS CE C 13 42.779 . . 1 . . . . . 54 LYS CE . 16636 1 563 . 1 1 54 54 LYS N N 15 122.642 . . 1 . . . . . 54 LYS N . 16636 1 564 . 1 1 55 55 LEU H H 1 8.687 . . 1 . . . . . 55 LEU HN . 16636 1 565 . 1 1 55 55 LEU HA H 1 4.738 . . 1 . . . . . 55 LEU HA . 16636 1 566 . 1 1 55 55 LEU HB2 H 1 2.042 . . 2 . . . . . 55 LEU HB1 . 16636 1 567 . 1 1 55 55 LEU HB3 H 1 2.261 . . 2 . . . . . 55 LEU HB2 . 16636 1 568 . 1 1 55 55 LEU HD11 H 1 1.164 . . 2 . . . . . 55 LEU HD11 . 16636 1 569 . 1 1 55 55 LEU HD12 H 1 1.164 . . 2 . . . . . 55 LEU HD11 . 16636 1 570 . 1 1 55 55 LEU HD13 H 1 1.164 . . 2 . . . . . 55 LEU HD11 . 16636 1 571 . 1 1 55 55 LEU HG H 1 1.207 . . 1 . . . . . 55 LEU HG . 16636 1 572 . 1 1 55 55 LEU C C 13 176.334 . . 1 . . . . . 55 LEU C . 16636 1 573 . 1 1 55 55 LEU CA C 13 55.172 . . 1 . . . . . 55 LEU CA . 16636 1 574 . 1 1 55 55 LEU CB C 13 43.125 . . 1 . . . . . 55 LEU CB . 16636 1 575 . 1 1 55 55 LEU CD1 C 13 27.290 . . 1 . . . . . 55 LEU CD1 . 16636 1 576 . 1 1 55 55 LEU CD2 C 13 22.141 . . 1 . . . . . 55 LEU CD2 . 16636 1 577 . 1 1 55 55 LEU CG C 13 28.502 . . 1 . . . . . 55 LEU CG . 16636 1 578 . 1 1 55 55 LEU N N 15 116.534 . . 1 . . . . . 55 LEU N . 16636 1 579 . 1 1 56 56 ASN H H 1 8.268 . . 1 . . . . . 56 ASN HN . 16636 1 580 . 1 1 56 56 ASN HA H 1 4.830 . . 1 . . . . . 56 ASN HA . 16636 1 581 . 1 1 56 56 ASN CA C 13 54.805 . . 1 . . . . . 56 ASN CA . 16636 1 582 . 1 1 56 56 ASN CB C 13 37.836 . . 1 . . . . . 56 ASN CB . 16636 1 583 . 1 1 56 56 ASN N N 15 119.886 . . 1 . . . . . 56 ASN N . 16636 1 584 . 1 1 57 57 VAL H H 1 8.520 . . 1 . . . . . 57 VAL HN . 16636 1 585 . 1 1 57 57 VAL HA H 1 4.434 . . 1 . . . . . 57 VAL HA . 16636 1 586 . 1 1 57 57 VAL HB H 1 2.460 . . 1 . . . . . 57 VAL HB . 16636 1 587 . 1 1 57 57 VAL HG11 H 1 0.987 . . 2 . . . . . 57 VAL HG11 . 16636 1 588 . 1 1 57 57 VAL HG12 H 1 0.987 . . 2 . . . . . 57 VAL HG11 . 16636 1 589 . 1 1 57 57 VAL HG13 H 1 0.987 . . 2 . . . . . 57 VAL HG11 . 16636 1 590 . 1 1 57 57 VAL HG21 H 1 1.150 . . 2 . . . . . 57 VAL HG21 . 16636 1 591 . 1 1 57 57 VAL HG22 H 1 1.150 . . 2 . . . . . 57 VAL HG21 . 16636 1 592 . 1 1 57 57 VAL HG23 H 1 1.150 . . 2 . . . . . 57 VAL HG21 . 16636 1 593 . 1 1 57 57 VAL C C 13 176.025 . . 1 . . . . . 57 VAL C . 16636 1 594 . 1 1 57 57 VAL CA C 13 59.726 . . 1 . . . . . 57 VAL CA . 16636 1 595 . 1 1 57 57 VAL CB C 13 36.293 . . 1 . . . . . 57 VAL CB . 16636 1 596 . 1 1 57 57 VAL CG1 C 13 22.815 . . 1 . . . . . 57 VAL CG1 . 16636 1 597 . 1 1 57 57 VAL CG2 C 13 17.180 . . 1 . . . . . 57 VAL CG2 . 16636 1 598 . 1 1 57 57 VAL N N 15 111.247 . . 1 . . . . . 57 VAL N . 16636 1 599 . 1 1 58 58 GLY H H 1 8.532 . . 1 . . . . . 58 GLY HN . 16636 1 600 . 1 1 58 58 GLY HA2 H 1 3.872 . . 2 . . . . . 58 GLY HA1 . 16636 1 601 . 1 1 58 58 GLY HA3 H 1 4.603 . . 2 . . . . . 58 GLY HA2 . 16636 1 602 . 1 1 58 58 GLY C C 13 174.042 . . 1 . . . . . 58 GLY C . 16636 1 603 . 1 1 58 58 GLY CA C 13 45.108 . . 1 . . . . . 58 GLY CA . 16636 1 604 . 1 1 58 58 GLY N N 15 105.653 . . 1 . . . . . 58 GLY N . 16636 1 605 . 1 1 59 59 SER H H 1 7.053 . . 1 . . . . . 59 SER HN . 16636 1 606 . 1 1 59 59 SER HA H 1 4.869 . . 1 . . . . . 59 SER HA . 16636 1 607 . 1 1 59 59 SER C C 13 174.166 . . 1 . . . . . 59 SER C . 16636 1 608 . 1 1 59 59 SER CA C 13 57.302 . . 1 . . . . . 59 SER CA . 16636 1 609 . 1 1 59 59 SER CB C 13 66.998 . . 1 . . . . . 59 SER CB . 16636 1 610 . 1 1 59 59 SER N N 15 113.202 . . 1 . . . . . 59 SER N . 16636 1 611 . 1 1 60 60 ARG H H 1 9.545 . . 1 . . . . . 60 ARG HN . 16636 1 612 . 1 1 60 60 ARG HA H 1 4.343 . . 1 . . . . . 60 ARG HA . 16636 1 613 . 1 1 60 60 ARG HB2 H 1 2.118 . . 2 . . . . . 60 ARG HB1 . 16636 1 614 . 1 1 60 60 ARG HB3 H 1 2.381 . . 2 . . . . . 60 ARG HB2 . 16636 1 615 . 1 1 60 60 ARG HD2 H 1 3.799 . . 2 . . . . . 60 ARG HD2 . 16636 1 616 . 1 1 60 60 ARG C C 13 177.168 . . 1 . . . . . 60 ARG C . 16636 1 617 . 1 1 60 60 ARG CA C 13 60.461 . . 1 . . . . . 60 ARG CA . 16636 1 618 . 1 1 60 60 ARG CB C 13 31.665 . . 1 . . . . . 60 ARG CB . 16636 1 619 . 1 1 60 60 ARG CD C 13 44.479 . . 1 . . . . . 60 ARG CD . 16636 1 620 . 1 1 60 60 ARG CG C 13 28.804 . . 1 . . . . . 60 ARG CG . 16636 1 621 . 1 1 60 60 ARG N N 15 124.076 . . 1 . . . . . 60 ARG N . 16636 1 622 . 1 1 61 61 THR H H 1 8.325 . . 1 . . . . . 61 THR HN . 16636 1 623 . 1 1 61 61 THR HA H 1 4.417 . . 1 . . . . . 61 THR HA . 16636 1 624 . 1 1 61 61 THR HB H 1 4.264 . . 1 . . . . . 61 THR HB . 16636 1 625 . 1 1 61 61 THR HG21 H 1 1.593 . . 1 . . . . . 61 THR HG21 . 16636 1 626 . 1 1 61 61 THR HG22 H 1 1.593 . . 1 . . . . . 61 THR HG21 . 16636 1 627 . 1 1 61 61 THR HG23 H 1 1.593 . . 1 . . . . . 61 THR HG21 . 16636 1 628 . 1 1 61 61 THR C C 13 177.480 . . 1 . . . . . 61 THR C . 16636 1 629 . 1 1 61 61 THR CA C 13 66.117 . . 1 . . . . . 61 THR CA . 16636 1 630 . 1 1 61 61 THR CB C 13 68.908 . . 1 . . . . . 61 THR CB . 16636 1 631 . 1 1 61 61 THR CG2 C 13 22.638 . . 1 . . . . . 61 THR CG2 . 16636 1 632 . 1 1 61 61 THR N N 15 114.219 . . 1 . . . . . 61 THR N . 16636 1 633 . 1 1 62 62 GLU H H 1 7.830 . . 1 . . . . . 62 GLU HN . 16636 1 634 . 1 1 62 62 GLU HA H 1 4.317 . . 1 . . . . . 62 GLU HA . 16636 1 635 . 1 1 62 62 GLU HB2 H 1 2.313 . . 2 . . . . . 62 GLU HB2 . 16636 1 636 . 1 1 62 62 GLU HG2 H 1 2.630 . . 2 . . . . . 62 GLU HG2 . 16636 1 637 . 1 1 62 62 GLU C C 13 178.445 . . 1 . . . . . 62 GLU C . 16636 1 638 . 1 1 62 62 GLU CA C 13 59.432 . . 1 . . . . . 62 GLU CA . 16636 1 639 . 1 1 62 62 GLU CB C 13 31.445 . . 1 . . . . . 62 GLU CB . 16636 1 640 . 1 1 62 62 GLU CG C 13 37.367 . . 1 . . . . . 62 GLU CG . 16636 1 641 . 1 1 62 62 GLU N N 15 123.780 . . 1 . . . . . 62 GLU N . 16636 1 642 . 1 1 63 63 ALA H H 1 8.373 . . 1 . . . . . 63 ALA HN . 16636 1 643 . 1 1 63 63 ALA HA H 1 4.291 . . 1 . . . . . 63 ALA HA . 16636 1 644 . 1 1 63 63 ALA HB1 H 1 1.837 . . 1 . . . . . 63 ALA HB1 . 16636 1 645 . 1 1 63 63 ALA HB2 H 1 1.837 . . 1 . . . . . 63 ALA HB1 . 16636 1 646 . 1 1 63 63 ALA HB3 H 1 1.837 . . 1 . . . . . 63 ALA HB1 . 16636 1 647 . 1 1 63 63 ALA C C 13 178.375 . . 1 . . . . . 63 ALA C . 16636 1 648 . 1 1 63 63 ALA CA C 13 55.833 . . 1 . . . . . 63 ALA CA . 16636 1 649 . 1 1 63 63 ALA CB C 13 19.033 . . 1 . . . . . 63 ALA CB . 16636 1 650 . 1 1 63 63 ALA N N 15 121.874 . . 1 . . . . . 63 ALA N . 16636 1 651 . 1 1 64 64 VAL H H 1 7.891 . . 1 . . . . . 64 VAL HN . 16636 1 652 . 1 1 64 64 VAL HA H 1 4.636 . . 1 . . . . . 64 VAL HA . 16636 1 653 . 1 1 64 64 VAL HB H 1 2.515 . . 1 . . . . . 64 VAL HB . 16636 1 654 . 1 1 64 64 VAL HG11 H 1 1.249 . . 2 . . . . . 64 VAL HG11 . 16636 1 655 . 1 1 64 64 VAL HG12 H 1 1.249 . . 2 . . . . . 64 VAL HG11 . 16636 1 656 . 1 1 64 64 VAL HG13 H 1 1.249 . . 2 . . . . . 64 VAL HG11 . 16636 1 657 . 1 1 64 64 VAL HG21 H 1 1.411 . . 2 . . . . . 64 VAL HG21 . 16636 1 658 . 1 1 64 64 VAL HG22 H 1 1.411 . . 2 . . . . . 64 VAL HG21 . 16636 1 659 . 1 1 64 64 VAL HG23 H 1 1.411 . . 2 . . . . . 64 VAL HG21 . 16636 1 660 . 1 1 64 64 VAL C C 13 177.309 . . 1 . . . . . 64 VAL C . 16636 1 661 . 1 1 64 64 VAL CA C 13 67.219 . . 1 . . . . . 64 VAL CA . 16636 1 662 . 1 1 64 64 VAL CB C 13 32.694 . . 1 . . . . . 64 VAL CB . 16636 1 663 . 1 1 64 64 VAL CG1 C 13 24.273 . . 1 . . . . . 64 VAL CG1 . 16636 1 664 . 1 1 64 64 VAL CG2 C 13 22.154 . . 1 . . . . . 64 VAL CG2 . 16636 1 665 . 1 1 64 64 VAL N N 15 118.055 . . 1 . . . . . 64 VAL N . 16636 1 666 . 1 1 65 65 LEU H H 1 7.856 . . 1 . . . . . 65 LEU HN . 16636 1 667 . 1 1 65 65 LEU HA H 1 4.357 . . 1 . . . . . 65 LEU HA . 16636 1 668 . 1 1 65 65 LEU HB2 H 1 1.232 . . 2 . . . . . 65 LEU HB2 . 16636 1 669 . 1 1 65 65 LEU HD11 H 1 1.234 . . 2 . . . . . 65 LEU HD11 . 16636 1 670 . 1 1 65 65 LEU HD12 H 1 1.234 . . 2 . . . . . 65 LEU HD11 . 16636 1 671 . 1 1 65 65 LEU HD13 H 1 1.234 . . 2 . . . . . 65 LEU HD11 . 16636 1 672 . 1 1 65 65 LEU HG H 1 2.097 . . 1 . . . . . 65 LEU HG . 16636 1 673 . 1 1 65 65 LEU C C 13 180.839 . . 1 . . . . . 65 LEU C . 16636 1 674 . 1 1 65 65 LEU CA C 13 58.992 . . 1 . . . . . 65 LEU CA . 16636 1 675 . 1 1 65 65 LEU CB C 13 42.537 . . 1 . . . . . 65 LEU CB . 16636 1 676 . 1 1 65 65 LEU CD1 C 13 25.546 . . 1 . . . . . 65 LEU CD1 . 16636 1 677 . 1 1 65 65 LEU CD2 C 13 24.114 . . 1 . . . . . 65 LEU CD2 . 16636 1 678 . 1 1 65 65 LEU CG C 13 27.393 . . 1 . . . . . 65 LEU CG . 16636 1 679 . 1 1 65 65 LEU N N 15 120.652 . . 1 . . . . . 65 LEU N . 16636 1 680 . 1 1 66 66 ILE H H 1 8.633 . . 1 . . . . . 66 ILE HN . 16636 1 681 . 1 1 66 66 ILE HA H 1 4.347 . . 1 . . . . . 66 ILE HA . 16636 1 682 . 1 1 66 66 ILE HB H 1 2.323 . . 1 . . . . . 66 ILE HB . 16636 1 683 . 1 1 66 66 ILE HD11 H 1 1.172 . . 1 . . . . . 66 ILE HD11 . 16636 1 684 . 1 1 66 66 ILE HD12 H 1 1.172 . . 1 . . . . . 66 ILE HD11 . 16636 1 685 . 1 1 66 66 ILE HD13 H 1 1.172 . . 1 . . . . . 66 ILE HD11 . 16636 1 686 . 1 1 66 66 ILE HG12 H 1 1.782 . . 1 . . . . . 66 ILE HG11 . 16636 1 687 . 1 1 66 66 ILE HG13 H 1 1.945 . . 1 . . . . . 66 ILE HG12 . 16636 1 688 . 1 1 66 66 ILE HG21 H 1 1.353 . . 2 . . . . . 66 ILE HG21 . 16636 1 689 . 1 1 66 66 ILE HG22 H 1 1.353 . . 2 . . . . . 66 ILE HG21 . 16636 1 690 . 1 1 66 66 ILE HG23 H 1 1.353 . . 2 . . . . . 66 ILE HG21 . 16636 1 691 . 1 1 66 66 ILE C C 13 178.172 . . 1 . . . . . 66 ILE C . 16636 1 692 . 1 1 66 66 ILE CA C 13 62.738 . . 1 . . . . . 66 ILE CA . 16636 1 693 . 1 1 66 66 ILE CB C 13 37.248 . . 1 . . . . . 66 ILE CB . 16636 1 694 . 1 1 66 66 ILE CD1 C 13 11.172 . . 1 . . . . . 66 ILE CD1 . 16636 1 695 . 1 1 66 66 ILE CG1 C 13 29.655 . . 2 . . . . . 66 ILE CG1 . 16636 1 696 . 1 1 66 66 ILE CG2 C 13 19.113 . . 1 . . . . . 66 ILE CG2 . 16636 1 697 . 1 1 66 66 ILE N N 15 122.730 . . 1 . . . . . 66 ILE N . 16636 1 698 . 1 1 67 67 ALA H H 1 8.737 . . 1 . . . . . 67 ALA HN . 16636 1 699 . 1 1 67 67 ALA HA H 1 4.419 . . 1 . . . . . 67 ALA HA . 16636 1 700 . 1 1 67 67 ALA HB1 H 1 1.764 . . 1 . . . . . 67 ALA HB1 . 16636 1 701 . 1 1 67 67 ALA HB2 H 1 1.764 . . 1 . . . . . 67 ALA HB1 . 16636 1 702 . 1 1 67 67 ALA HB3 H 1 1.764 . . 1 . . . . . 67 ALA HB1 . 16636 1 703 . 1 1 67 67 ALA C C 13 180.535 . . 1 . . . . . 67 ALA C . 16636 1 704 . 1 1 67 67 ALA CA C 13 55.760 . . 1 . . . . . 67 ALA CA . 16636 1 705 . 1 1 67 67 ALA CB C 13 19.398 . . 1 . . . . . 67 ALA CB . 16636 1 706 . 1 1 67 67 ALA N N 15 125.463 . . 1 . . . . . 67 ALA N . 16636 1 707 . 1 1 68 68 LYS H H 1 8.858 . . 1 . . . . . 68 LYS HN . 16636 1 708 . 1 1 68 68 LYS HA H 1 4.633 . . 1 . . . . . 68 LYS HA . 16636 1 709 . 1 1 68 68 LYS HB2 H 1 1.995 . . 2 . . . . . 68 LYS HB1 . 16636 1 710 . 1 1 68 68 LYS HB3 H 1 2.259 . . 2 . . . . . 68 LYS HB2 . 16636 1 711 . 1 1 68 68 LYS HD2 H 1 1.786 . . 2 . . . . . 68 LYS HD2 . 16636 1 712 . 1 1 68 68 LYS HE2 H 1 3.254 . . 2 . . . . . 68 LYS HE2 . 16636 1 713 . 1 1 68 68 LYS HG2 H 1 1.174 . . 2 . . . . . 68 LYS HG2 . 16636 1 714 . 1 1 68 68 LYS C C 13 180.542 . . 1 . . . . . 68 LYS C . 16636 1 715 . 1 1 68 68 LYS CA C 13 59.421 . . 1 . . . . . 68 LYS CA . 16636 1 716 . 1 1 68 68 LYS CB C 13 32.914 . . 1 . . . . . 68 LYS CB . 16636 1 717 . 1 1 68 68 LYS CD C 13 29.594 . . 1 . . . . . 68 LYS CD . 16636 1 718 . 1 1 68 68 LYS CE C 13 42.190 . . 1 . . . . . 68 LYS CE . 16636 1 719 . 1 1 68 68 LYS CG C 13 25.511 . . 1 . . . . . 68 LYS CG . 16636 1 720 . 1 1 68 68 LYS N N 15 119.932 . . 1 . . . . . 68 LYS N . 16636 1 721 . 1 1 69 69 SER H H 1 8.504 . . 1 . . . . . 69 SER HN . 16636 1 722 . 1 1 69 69 SER HA H 1 4.655 . . 1 . . . . . 69 SER HA . 16636 1 723 . 1 1 69 69 SER C C 13 176.416 . . 1 . . . . . 69 SER C . 16636 1 724 . 1 1 69 69 SER CA C 13 61.783 . . 1 . . . . . 69 SER CA . 16636 1 725 . 1 1 69 69 SER CB C 13 63.546 . . 1 . . . . . 69 SER CB . 16636 1 726 . 1 1 69 69 SER N N 15 119.492 . . 1 . . . . . 69 SER N . 16636 1 727 . 1 1 70 70 ASP H H 1 8.759 . . 1 . . . . . 70 ASP HN . 16636 1 728 . 1 1 70 70 ASP HA H 1 5.098 . . 1 . . . . . 70 ASP HA . 16636 1 729 . 1 1 70 70 ASP HB2 H 1 3.120 . . 2 . . . . . 70 ASP HB2 . 16636 1 730 . 1 1 70 70 ASP C C 13 177.276 . . 1 . . . . . 70 ASP C . 16636 1 731 . 1 1 70 70 ASP CA C 13 55.392 . . 1 . . . . . 70 ASP CA . 16636 1 732 . 1 1 70 70 ASP CB C 13 41.656 . . 1 . . . . . 70 ASP CB . 16636 1 733 . 1 1 70 70 ASP N N 15 122.177 . . 1 . . . . . 70 ASP N . 16636 1 734 . 1 1 71 71 GLY H H 1 8.259 . . 1 . . . . . 71 GLY HN . 16636 1 735 . 1 1 71 71 GLY HA2 H 1 4.338 . . 2 . . . . . 71 GLY HA1 . 16636 1 736 . 1 1 71 71 GLY HA3 H 1 4.472 . . 2 . . . . . 71 GLY HA2 . 16636 1 737 . 1 1 71 71 GLY C C 13 175.200 . . 1 . . . . . 71 GLY C . 16636 1 738 . 1 1 71 71 GLY CA C 13 46.651 . . 1 . . . . . 71 GLY CA . 16636 1 739 . 1 1 71 71 GLY N N 15 109.989 . . 1 . . . . . 71 GLY N . 16636 1 740 . 1 1 72 72 VAL H H 1 8.350 . . 1 . . . . . 72 VAL HN . 16636 1 741 . 1 1 72 72 VAL HA H 1 4.408 . . 1 . . . . . 72 VAL HA . 16636 1 742 . 1 1 72 72 VAL HB H 1 2.528 . . 1 . . . . . 72 VAL HB . 16636 1 743 . 1 1 72 72 VAL HG11 H 1 1.272 . . 2 . . . . . 72 VAL HG11 . 16636 1 744 . 1 1 72 72 VAL HG12 H 1 1.272 . . 2 . . . . . 72 VAL HG11 . 16636 1 745 . 1 1 72 72 VAL HG13 H 1 1.272 . . 2 . . . . . 72 VAL HG11 . 16636 1 746 . 1 1 72 72 VAL HG21 H 1 1.332 . . 2 . . . . . 72 VAL HG21 . 16636 1 747 . 1 1 72 72 VAL HG22 H 1 1.332 . . 2 . . . . . 72 VAL HG21 . 16636 1 748 . 1 1 72 72 VAL HG23 H 1 1.332 . . 2 . . . . . 72 VAL HG21 . 16636 1 749 . 1 1 72 72 VAL C C 13 175.333 . . 1 . . . . . 72 VAL C . 16636 1 750 . 1 1 72 72 VAL CA C 13 63.619 . . 1 . . . . . 72 VAL CA . 16636 1 751 . 1 1 72 72 VAL CB C 13 33.355 . . 1 . . . . . 72 VAL CB . 16636 1 752 . 1 1 72 72 VAL CG1 C 13 25.349 . . 1 . . . . . 72 VAL CG1 . 16636 1 753 . 1 1 72 72 VAL CG2 C 13 21.662 . . 1 . . . . . 72 VAL CG2 . 16636 1 754 . 1 1 72 72 VAL N N 15 119.689 . . 1 . . . . . 72 VAL N . 16636 1 755 . 1 1 73 73 LEU H H 1 7.493 . . 1 . . . . . 73 LEU HN . 16636 1 756 . 1 1 73 73 LEU CA C 13 55.906 . . 1 . . . . . 73 LEU CA . 16636 1 757 . 1 1 73 73 LEU CB C 13 45.549 . . 1 . . . . . 73 LEU CB . 16636 1 758 . 1 1 73 73 LEU N N 15 127.560 . . 1 . . . . . 73 LEU N . 16636 1 stop_ save_