data_34318 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34318 _Entry.Title ; Solution structure of the globular domain from human histone H1.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-23 _Entry.Accession_date 2018-09-23 _Entry.Last_release_date 2019-10-03 _Entry.Original_release_date 2019-10-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34318 stop_ 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 J. Martinsen J. H. . . 34318 2 K. Bugge K. . . . 34318 3 B. Kragelund B. B. . . 34318 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34318 alpha-helical . 34318 'nucleosome assembly' . 34318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 34318 '15N chemical shifts' 78 34318 '1H chemical shifts' 463 34318 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 . . 2019-10-08 . original BMRB . 34318 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6HQ1 . 34318 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34318 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Micromolar affinity association of an IDP and a folded protein without the involvement of persistent binding sites ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 K. Bugge K. . . . 34318 1 2 J. Martinsen J. H. . . 34318 1 3 C. Fernandes C. B. . . 34318 1 4 A. Borgia A. . . . 34318 1 5 B. Schuler B. . . . 34318 1 6 R. Best R. . . . 34318 1 7 B. Kragelund B. B. . . 34318 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34318 _Assembly.ID 1 _Assembly.Name 'Histone H1.0' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 1 $entity_1 A A yes . . . . . . 34318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34318 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GDHPKYSDMIVAAIQAEKNR AGSSRQSIQKYIKSHYKVGE NADSQIKLSIKRLVTTGVLK QTKGVGASGSFRLAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8163.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID "Histone H1'" na 34318 1 'Histone H1(0)' na 34318 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 . GLY . 34318 1 2 . ASP . 34318 1 3 . HIS . 34318 1 4 . PRO . 34318 1 5 . LYS . 34318 1 6 . TYR . 34318 1 7 . SER . 34318 1 8 . ASP . 34318 1 9 . MET . 34318 1 10 . ILE . 34318 1 11 . VAL . 34318 1 12 . ALA . 34318 1 13 . ALA . 34318 1 14 . ILE . 34318 1 15 . GLN . 34318 1 16 . ALA . 34318 1 17 . GLU . 34318 1 18 . LYS . 34318 1 19 . ASN . 34318 1 20 . ARG . 34318 1 21 . ALA . 34318 1 22 . GLY . 34318 1 23 . SER . 34318 1 24 . SER . 34318 1 25 . ARG . 34318 1 26 . GLN . 34318 1 27 . SER . 34318 1 28 . ILE . 34318 1 29 . GLN . 34318 1 30 . LYS . 34318 1 31 . TYR . 34318 1 32 . ILE . 34318 1 33 . LYS . 34318 1 34 . SER . 34318 1 35 . HIS . 34318 1 36 . TYR . 34318 1 37 . LYS . 34318 1 38 . VAL . 34318 1 39 . GLY . 34318 1 40 . GLU . 34318 1 41 . ASN . 34318 1 42 . ALA . 34318 1 43 . ASP . 34318 1 44 . SER . 34318 1 45 . GLN . 34318 1 46 . ILE . 34318 1 47 . LYS . 34318 1 48 . LEU . 34318 1 49 . SER . 34318 1 50 . ILE . 34318 1 51 . LYS . 34318 1 52 . ARG . 34318 1 53 . LEU . 34318 1 54 . VAL . 34318 1 55 . THR . 34318 1 56 . THR . 34318 1 57 . GLY . 34318 1 58 . VAL . 34318 1 59 . LEU . 34318 1 60 . LYS . 34318 1 61 . GLN . 34318 1 62 . THR . 34318 1 63 . LYS . 34318 1 64 . GLY . 34318 1 65 . VAL . 34318 1 66 . GLY . 34318 1 67 . ALA . 34318 1 68 . SER . 34318 1 69 . GLY . 34318 1 70 . SER . 34318 1 71 . PHE . 34318 1 72 . ARG . 34318 1 73 . LEU . 34318 1 74 . ALA . 34318 1 75 . LYS . 34318 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 34318 1 . ASP 2 2 34318 1 . HIS 3 3 34318 1 . PRO 4 4 34318 1 . LYS 5 5 34318 1 . TYR 6 6 34318 1 . SER 7 7 34318 1 . ASP 8 8 34318 1 . MET 9 9 34318 1 . ILE 10 10 34318 1 . VAL 11 11 34318 1 . ALA 12 12 34318 1 . ALA 13 13 34318 1 . ILE 14 14 34318 1 . GLN 15 15 34318 1 . ALA 16 16 34318 1 . GLU 17 17 34318 1 . LYS 18 18 34318 1 . ASN 19 19 34318 1 . ARG 20 20 34318 1 . ALA 21 21 34318 1 . GLY 22 22 34318 1 . SER 23 23 34318 1 . SER 24 24 34318 1 . ARG 25 25 34318 1 . GLN 26 26 34318 1 . SER 27 27 34318 1 . ILE 28 28 34318 1 . GLN 29 29 34318 1 . LYS 30 30 34318 1 . TYR 31 31 34318 1 . ILE 32 32 34318 1 . LYS 33 33 34318 1 . SER 34 34 34318 1 . HIS 35 35 34318 1 . TYR 36 36 34318 1 . LYS 37 37 34318 1 . VAL 38 38 34318 1 . GLY 39 39 34318 1 . GLU 40 40 34318 1 . ASN 41 41 34318 1 . ALA 42 42 34318 1 . ASP 43 43 34318 1 . SER 44 44 34318 1 . GLN 45 45 34318 1 . ILE 46 46 34318 1 . LYS 47 47 34318 1 . LEU 48 48 34318 1 . SER 49 49 34318 1 . ILE 50 50 34318 1 . LYS 51 51 34318 1 . ARG 52 52 34318 1 . LEU 53 53 34318 1 . VAL 54 54 34318 1 . THR 55 55 34318 1 . THR 56 56 34318 1 . GLY 57 57 34318 1 . VAL 58 58 34318 1 . LEU 59 59 34318 1 . LYS 60 60 34318 1 . GLN 61 61 34318 1 . THR 62 62 34318 1 . LYS 63 63 34318 1 . GLY 64 64 34318 1 . VAL 65 65 34318 1 . GLY 66 66 34318 1 . ALA 67 67 34318 1 . SER 68 68 34318 1 . GLY 69 69 34318 1 . SER 70 70 34318 1 . PHE 71 71 34318 1 . ARG 72 72 34318 1 . LEU 73 73 34318 1 . ALA 74 74 34318 1 . LYS 75 75 34318 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 34318 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'H1F0, H1FV' . 34318 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 34318 _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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34318 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.925 mM [U-99% 13C; U-99% 15N] H1-GD, 10 mM Tris, 157 mM KCl, 0.1 mM EDTA, 0.125 mM DSS, 90% H2O/10% D2O' _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 H1-GD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.925 . . mM . . . . 34318 1 2 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 34318 1 3 KCl 'natural abundance' . . . . . . 157 . . mM . . . . 34318 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 34318 1 5 DSS 'natural abundance' . . . . . . 0.125 . . mM . . . . 34318 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34318 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.25 mM [U-99% 13C; U-99% 15N] H1-GD, 10 mM Tris, 157 mM KCl, 0.1 mM EDTA, 0.125 mM DSS, 90% H2O/10% D2O' _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 H1-GD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 34318 2 2 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 34318 2 3 KCl 'natural abundance' . . . . . . 157 . . mM . . . . 34318 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 34318 2 5 DSS 'natural abundance' . . . . . . 0.125 . . mM . . . . 34318 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 34318 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 165 . mM 34318 1 pH 7.4 . pH 34318 1 pressure 1 . atm 34318 1 temperature 283 . K 34318 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34318 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34318 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34318 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34318 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34318 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34318 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34318 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34318 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34318 3 . 'data analysis' 34318 3 . 'peak picking' 34318 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34318 _Software.ID 4 _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' . . 34318 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34318 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34318 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34318 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 34318 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34318 _Software.ID 6 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34318 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34318 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34318 _Software.ID 7 _Software.Type . _Software.Name Xplor-NIH _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34318 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34318 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34318 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34318 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 34318 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Varian INOVA . 800 . . . 34318 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 750 . . . 34318 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 34318 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34318 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34318 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34318 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34318 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34318 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34318 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34318 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.25144953 . . . . . 34318 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34318 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34318 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34318 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34318 1 2 '2D 1H-15N HSQC' . . . 34318 1 3 '3D HNCO' . . . 34318 1 4 '3D HNCACB' . . . 34318 1 5 '3D HN(CO)CA' . . . 34318 1 6 '3D CBCA(CO)NH' . . . 34318 1 7 '3D HNCA' . . . 34318 1 8 '2D 1H-15N HSQC' . . . 34318 1 9 '3D HNCACB' . . . 34318 1 10 '3D 1H-13C NOESY aliphatic' . . . 34318 1 11 '3D 1H-13C NOESY aromatic' . . . 34318 1 12 '3D HCCH-TOCSY' . . . 34318 1 13 '3D 1H-15N TOCSY' . . . 34318 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 1 1 GLY HA2 H 1 4.463 0.002 . 2 . . . . A 1 GLY HA2 . 34318 1 2 . 1 1 1 1 GLY HA3 H 1 3.966 0.002 . 2 . . . . A 1 GLY HA3 . 34318 1 3 . 1 1 1 1 GLY CA C 13 44.240 0.034 . 1 . . . . A 1 GLY CA . 34318 1 4 . 1 1 2 2 ASP C C 13 175.029 0.000 . 1 . . . . A 2 ASP C . 34318 1 5 . 1 1 3 3 HIS H H 1 7.680 0.002 . 1 . . . . A 3 HIS H . 34318 1 6 . 1 1 3 3 HIS HA H 1 5.047 0.001 . 1 . . . . A 3 HIS HA . 34318 1 7 . 1 1 3 3 HIS HB2 H 1 3.137 0.003 . 1 . . . . A 3 HIS HB2 . 34318 1 8 . 1 1 3 3 HIS HE1 H 1 7.667 0.002 . 1 . . . . A 3 HIS HE1 . 34318 1 9 . 1 1 3 3 HIS CA C 13 53.837 0.029 . 1 . . . . A 3 HIS CA . 34318 1 10 . 1 1 3 3 HIS CB C 13 27.715 0.000 . 1 . . . . A 3 HIS CB . 34318 1 11 . 1 1 3 3 HIS CE1 C 13 139.120 0.000 . 1 . . . . A 3 HIS CE1 . 34318 1 12 . 1 1 3 3 HIS N N 15 117.257 0.028 . 1 . . . . A 3 HIS N . 34318 1 13 . 1 1 4 4 PRO HA H 1 4.541 0.002 . 1 . . . . A 4 PRO HA . 34318 1 14 . 1 1 4 4 PRO HB2 H 1 2.490 0.004 . 1 . . . . A 4 PRO HB2 . 34318 1 15 . 1 1 4 4 PRO HG2 H 1 1.943 0.060 . 1 . . . . A 4 PRO HG2 . 34318 1 16 . 1 1 4 4 PRO HD2 H 1 3.975 0.001 . 2 . . . . A 4 PRO HD2 . 34318 1 17 . 1 1 4 4 PRO HD3 H 1 3.293 0.004 . 2 . . . . A 4 PRO HD3 . 34318 1 18 . 1 1 4 4 PRO C C 13 175.598 0.000 . 1 . . . . A 4 PRO C . 34318 1 19 . 1 1 4 4 PRO CA C 13 62.279 0.049 . 1 . . . . A 4 PRO CA . 34318 1 20 . 1 1 4 4 PRO CB C 13 32.042 0.070 . 1 . . . . A 4 PRO CB . 34318 1 21 . 1 1 4 4 PRO CG C 13 27.606 0.000 . 1 . . . . A 4 PRO CG . 34318 1 22 . 1 1 4 4 PRO CD C 13 51.217 0.019 . 1 . . . . A 4 PRO CD . 34318 1 23 . 1 1 5 5 LYS H H 1 8.750 0.007 . 1 . . . . A 5 LYS H . 34318 1 24 . 1 1 5 5 LYS HA H 1 4.327 0.001 . 1 . . . . A 5 LYS HA . 34318 1 25 . 1 1 5 5 LYS HB2 H 1 2.039 0.003 . 2 . . . . A 5 LYS HB2 . 34318 1 26 . 1 1 5 5 LYS HB3 H 1 1.817 0.002 . 2 . . . . A 5 LYS HB3 . 34318 1 27 . 1 1 5 5 LYS HG2 H 1 1.586 0.000 . 1 . . . . A 5 LYS HG2 . 34318 1 28 . 1 1 5 5 LYS C C 13 178.203 0.000 . 1 . . . . A 5 LYS C . 34318 1 29 . 1 1 5 5 LYS CA C 13 56.665 0.019 . 1 . . . . A 5 LYS CA . 34318 1 30 . 1 1 5 5 LYS CB C 13 32.616 0.041 . 1 . . . . A 5 LYS CB . 34318 1 31 . 1 1 5 5 LYS CG C 13 24.905 0.000 . 1 . . . . A 5 LYS CG . 34318 1 32 . 1 1 5 5 LYS N N 15 119.685 0.065 . 1 . . . . A 5 LYS N . 34318 1 33 . 1 1 6 6 TYR H H 1 8.875 0.005 . 1 . . . . A 6 TYR H . 34318 1 34 . 1 1 6 6 TYR HA H 1 3.859 0.004 . 1 . . . . A 6 TYR HA . 34318 1 35 . 1 1 6 6 TYR HB2 H 1 3.042 0.004 . 2 . . . . A 6 TYR HB2 . 34318 1 36 . 1 1 6 6 TYR HB3 H 1 2.682 0.003 . 2 . . . . A 6 TYR HB3 . 34318 1 37 . 1 1 6 6 TYR HD1 H 1 7.064 0.001 . 1 . . . . A 6 TYR HD1 . 34318 1 38 . 1 1 6 6 TYR HD2 H 1 7.064 0.001 . 1 . . . . A 6 TYR HD2 . 34318 1 39 . 1 1 6 6 TYR HE1 H 1 6.672 0.000 . 1 . . . . A 6 TYR HE1 . 34318 1 40 . 1 1 6 6 TYR HE2 H 1 6.672 0.000 . 1 . . . . A 6 TYR HE2 . 34318 1 41 . 1 1 6 6 TYR C C 13 178.440 0.000 . 1 . . . . A 6 TYR C . 34318 1 42 . 1 1 6 6 TYR CA C 13 63.829 0.036 . 1 . . . . A 6 TYR CA . 34318 1 43 . 1 1 6 6 TYR CB C 13 38.126 0.059 . 1 . . . . A 6 TYR CB . 34318 1 44 . 1 1 6 6 TYR CD1 C 13 132.345 0.005 . 1 . . . . A 6 TYR CD1 . 34318 1 45 . 1 1 6 6 TYR CD2 C 13 132.345 0.005 . 1 . . . . A 6 TYR CD2 . 34318 1 46 . 1 1 6 6 TYR CE1 C 13 118.201 0.054 . 1 . . . . A 6 TYR CE1 . 34318 1 47 . 1 1 6 6 TYR CE2 C 13 118.201 0.054 . 1 . . . . A 6 TYR CE2 . 34318 1 48 . 1 1 6 6 TYR N N 15 121.406 0.018 . 1 . . . . A 6 TYR N . 34318 1 49 . 1 1 7 7 SER H H 1 8.791 0.008 . 1 . . . . A 7 SER H . 34318 1 50 . 1 1 7 7 SER HA H 1 4.122 0.000 . 1 . . . . A 7 SER HA . 34318 1 51 . 1 1 7 7 SER HB2 H 1 3.910 0.009 . 1 . . . . A 7 SER HB2 . 34318 1 52 . 1 1 7 7 SER C C 13 175.492 0.000 . 1 . . . . A 7 SER C . 34318 1 53 . 1 1 7 7 SER CA C 13 61.707 0.000 . 1 . . . . A 7 SER CA . 34318 1 54 . 1 1 7 7 SER CB C 13 64.785 0.011 . 1 . . . . A 7 SER CB . 34318 1 55 . 1 1 7 7 SER N N 15 112.831 0.025 . 1 . . . . A 7 SER N . 34318 1 56 . 1 1 8 8 ASP H H 1 6.696 0.005 . 1 . . . . A 8 ASP H . 34318 1 57 . 1 1 8 8 ASP HA H 1 4.417 0.004 . 1 . . . . A 8 ASP HA . 34318 1 58 . 1 1 8 8 ASP HB2 H 1 2.654 0.001 . 2 . . . . A 8 ASP HB2 . 34318 1 59 . 1 1 8 8 ASP HB3 H 1 2.706 0.004 . 2 . . . . A 8 ASP HB3 . 34318 1 60 . 1 1 8 8 ASP C C 13 179.285 0.000 . 1 . . . . A 8 ASP C . 34318 1 61 . 1 1 8 8 ASP CA C 13 57.091 0.049 . 1 . . . . A 8 ASP CA . 34318 1 62 . 1 1 8 8 ASP CB C 13 40.670 0.000 . 1 . . . . A 8 ASP CB . 34318 1 63 . 1 1 8 8 ASP N N 15 120.501 0.031 . 1 . . . . A 8 ASP N . 34318 1 64 . 1 1 9 9 MET H H 1 7.797 0.001 . 1 . . . . A 9 MET H . 34318 1 65 . 1 1 9 9 MET HA H 1 3.850 0.008 . 1 . . . . A 9 MET HA . 34318 1 66 . 1 1 9 9 MET HB2 H 1 2.008 0.001 . 1 . . . . A 9 MET HB2 . 34318 1 67 . 1 1 9 9 MET C C 13 177.069 0.000 . 1 . . . . A 9 MET C . 34318 1 68 . 1 1 9 9 MET CA C 13 60.080 0.000 . 1 . . . . A 9 MET CA . 34318 1 69 . 1 1 9 9 MET CB C 13 31.878 0.090 . 1 . . . . A 9 MET CB . 34318 1 70 . 1 1 9 9 MET N N 15 120.657 0.024 . 1 . . . . A 9 MET N . 34318 1 71 . 1 1 10 10 ILE H H 1 8.309 0.003 . 1 . . . . A 10 ILE H . 34318 1 72 . 1 1 10 10 ILE HA H 1 3.483 0.003 . 1 . . . . A 10 ILE HA . 34318 1 73 . 1 1 10 10 ILE HB H 1 1.769 0.002 . 1 . . . . A 10 ILE HB . 34318 1 74 . 1 1 10 10 ILE HG12 H 1 1.005 0.000 . 2 . . . . A 10 ILE HG12 . 34318 1 75 . 1 1 10 10 ILE HG13 H 1 1.842 0.004 . 2 . . . . A 10 ILE HG13 . 34318 1 76 . 1 1 10 10 ILE HG21 H 1 0.705 0.003 . 1 . . . . A 10 ILE HG21 . 34318 1 77 . 1 1 10 10 ILE HG22 H 1 0.705 0.003 . 1 . . . . A 10 ILE HG22 . 34318 1 78 . 1 1 10 10 ILE HG23 H 1 0.705 0.003 . 1 . . . . A 10 ILE HG23 . 34318 1 79 . 1 1 10 10 ILE HD11 H 1 0.874 0.002 . 1 . . . . A 10 ILE HD11 . 34318 1 80 . 1 1 10 10 ILE HD12 H 1 0.874 0.002 . 1 . . . . A 10 ILE HD12 . 34318 1 81 . 1 1 10 10 ILE HD13 H 1 0.874 0.002 . 1 . . . . A 10 ILE HD13 . 34318 1 82 . 1 1 10 10 ILE C C 13 177.108 0.000 . 1 . . . . A 10 ILE C . 34318 1 83 . 1 1 10 10 ILE CA C 13 65.558 0.065 . 1 . . . . A 10 ILE CA . 34318 1 84 . 1 1 10 10 ILE CB C 13 38.447 0.012 . 1 . . . . A 10 ILE CB . 34318 1 85 . 1 1 10 10 ILE CG1 C 13 30.047 0.032 . 1 . . . . A 10 ILE CG1 . 34318 1 86 . 1 1 10 10 ILE CG2 C 13 17.977 0.015 . 1 . . . . A 10 ILE CG2 . 34318 1 87 . 1 1 10 10 ILE CD1 C 13 15.856 0.000 . 1 . . . . A 10 ILE CD1 . 34318 1 88 . 1 1 10 10 ILE N N 15 118.581 0.012 . 1 . . . . A 10 ILE N . 34318 1 89 . 1 1 11 11 VAL H H 1 7.647 0.002 . 1 . . . . A 11 VAL H . 34318 1 90 . 1 1 11 11 VAL HA H 1 3.396 0.004 . 1 . . . . A 11 VAL HA . 34318 1 91 . 1 1 11 11 VAL HB H 1 2.053 0.006 . 1 . . . . A 11 VAL HB . 34318 1 92 . 1 1 11 11 VAL HG11 H 1 0.902 0.002 . 2 . . . . A 11 VAL HG11 . 34318 1 93 . 1 1 11 11 VAL HG12 H 1 0.902 0.002 . 2 . . . . A 11 VAL HG12 . 34318 1 94 . 1 1 11 11 VAL HG13 H 1 0.902 0.002 . 2 . . . . A 11 VAL HG13 . 34318 1 95 . 1 1 11 11 VAL HG21 H 1 1.003 0.016 . 2 . . . . A 11 VAL HG21 . 34318 1 96 . 1 1 11 11 VAL HG22 H 1 1.003 0.016 . 2 . . . . A 11 VAL HG22 . 34318 1 97 . 1 1 11 11 VAL HG23 H 1 1.003 0.016 . 2 . . . . A 11 VAL HG23 . 34318 1 98 . 1 1 11 11 VAL C C 13 177.622 0.000 . 1 . . . . A 11 VAL C . 34318 1 99 . 1 1 11 11 VAL CA C 13 67.684 0.092 . 1 . . . . A 11 VAL CA . 34318 1 100 . 1 1 11 11 VAL CB C 13 31.866 0.027 . 1 . . . . A 11 VAL CB . 34318 1 101 . 1 1 11 11 VAL CG1 C 13 22.461 0.000 . 1 . . . . A 11 VAL CG1 . 34318 1 102 . 1 1 11 11 VAL CG2 C 13 22.461 0.000 . 1 . . . . A 11 VAL CG2 . 34318 1 103 . 1 1 11 11 VAL N N 15 118.553 0.016 . 1 . . . . A 11 VAL N . 34318 1 104 . 1 1 12 12 ALA H H 1 7.780 0.003 . 1 . . . . A 12 ALA H . 34318 1 105 . 1 1 12 12 ALA HA H 1 4.027 0.003 . 1 . . . . A 12 ALA HA . 34318 1 106 . 1 1 12 12 ALA HB1 H 1 1.594 0.004 . 1 . . . . A 12 ALA HB1 . 34318 1 107 . 1 1 12 12 ALA HB2 H 1 1.594 0.004 . 1 . . . . A 12 ALA HB2 . 34318 1 108 . 1 1 12 12 ALA HB3 H 1 1.594 0.004 . 1 . . . . A 12 ALA HB3 . 34318 1 109 . 1 1 12 12 ALA C C 13 180.292 0.000 . 1 . . . . A 12 ALA C . 34318 1 110 . 1 1 12 12 ALA CA C 13 55.176 0.082 . 1 . . . . A 12 ALA CA . 34318 1 111 . 1 1 12 12 ALA CB C 13 18.128 0.024 . 1 . . . . A 12 ALA CB . 34318 1 112 . 1 1 12 12 ALA N N 15 120.696 0.024 . 1 . . . . A 12 ALA N . 34318 1 113 . 1 1 13 13 ALA H H 1 7.907 0.003 . 1 . . . . A 13 ALA H . 34318 1 114 . 1 1 13 13 ALA HA H 1 2.376 0.003 . 1 . . . . A 13 ALA HA . 34318 1 115 . 1 1 13 13 ALA HB1 H 1 1.457 0.003 . 1 . . . . A 13 ALA HB1 . 34318 1 116 . 1 1 13 13 ALA HB2 H 1 1.457 0.003 . 1 . . . . A 13 ALA HB2 . 34318 1 117 . 1 1 13 13 ALA HB3 H 1 1.457 0.003 . 1 . . . . A 13 ALA HB3 . 34318 1 118 . 1 1 13 13 ALA C C 13 180.000 0.000 . 1 . . . . A 13 ALA C . 34318 1 119 . 1 1 13 13 ALA CA C 13 54.582 0.045 . 1 . . . . A 13 ALA CA . 34318 1 120 . 1 1 13 13 ALA CB C 13 20.128 0.051 . 1 . . . . A 13 ALA CB . 34318 1 121 . 1 1 13 13 ALA N N 15 121.052 0.008 . 1 . . . . A 13 ALA N . 34318 1 122 . 1 1 14 14 ILE H H 1 7.875 0.003 . 1 . . . . A 14 ILE H . 34318 1 123 . 1 1 14 14 ILE HA H 1 3.758 0.002 . 1 . . . . A 14 ILE HA . 34318 1 124 . 1 1 14 14 ILE HB H 1 1.765 0.005 . 1 . . . . A 14 ILE HB . 34318 1 125 . 1 1 14 14 ILE HG12 H 1 0.928 0.002 . 1 . . . . A 14 ILE HG12 . 34318 1 126 . 1 1 14 14 ILE HG21 H 1 1.006 0.003 . 1 . . . . A 14 ILE HG21 . 34318 1 127 . 1 1 14 14 ILE HG22 H 1 1.006 0.003 . 1 . . . . A 14 ILE HG22 . 34318 1 128 . 1 1 14 14 ILE HG23 H 1 1.006 0.003 . 1 . . . . A 14 ILE HG23 . 34318 1 129 . 1 1 14 14 ILE HD11 H 1 0.670 0.004 . 1 . . . . A 14 ILE HD11 . 34318 1 130 . 1 1 14 14 ILE HD12 H 1 0.670 0.004 . 1 . . . . A 14 ILE HD12 . 34318 1 131 . 1 1 14 14 ILE HD13 H 1 0.670 0.004 . 1 . . . . A 14 ILE HD13 . 34318 1 132 . 1 1 14 14 ILE C C 13 180.128 0.000 . 1 . . . . A 14 ILE C . 34318 1 133 . 1 1 14 14 ILE CA C 13 64.720 0.047 . 1 . . . . A 14 ILE CA . 34318 1 134 . 1 1 14 14 ILE CB C 13 38.563 0.031 . 1 . . . . A 14 ILE CB . 34318 1 135 . 1 1 14 14 ILE CG1 C 13 29.385 0.000 . 1 . . . . A 14 ILE CG1 . 34318 1 136 . 1 1 14 14 ILE CG2 C 13 17.027 0.000 . 1 . . . . A 14 ILE CG2 . 34318 1 137 . 1 1 14 14 ILE CD1 C 13 16.000 0.032 . 1 . . . . A 14 ILE CD1 . 34318 1 138 . 1 1 14 14 ILE N N 15 119.302 0.018 . 1 . . . . A 14 ILE N . 34318 1 139 . 1 1 15 15 GLN H H 1 8.542 0.004 . 1 . . . . A 15 GLN H . 34318 1 140 . 1 1 15 15 GLN HA H 1 4.084 0.005 . 1 . . . . A 15 GLN HA . 34318 1 141 . 1 1 15 15 GLN HB2 H 1 2.160 0.012 . 2 . . . . A 15 GLN HB2 . 34318 1 142 . 1 1 15 15 GLN HB3 H 1 2.076 0.009 . 2 . . . . A 15 GLN HB3 . 34318 1 143 . 1 1 15 15 GLN HG2 H 1 2.541 0.006 . 2 . . . . A 15 GLN HG2 . 34318 1 144 . 1 1 15 15 GLN HG3 H 1 2.479 0.002 . 2 . . . . A 15 GLN HG3 . 34318 1 145 . 1 1 15 15 GLN HE21 H 1 7.648 0.004 . 1 . . . . A 15 GLN HE21 . 34318 1 146 . 1 1 15 15 GLN HE22 H 1 7.001 0.002 . 1 . . . . A 15 GLN HE22 . 34318 1 147 . 1 1 15 15 GLN C C 13 177.700 0.000 . 1 . . . . A 15 GLN C . 34318 1 148 . 1 1 15 15 GLN CA C 13 58.435 0.031 . 1 . . . . A 15 GLN CA . 34318 1 149 . 1 1 15 15 GLN CB C 13 28.567 0.017 . 1 . . . . A 15 GLN CB . 34318 1 150 . 1 1 15 15 GLN CG C 13 33.928 0.000 . 1 . . . . A 15 GLN CG . 34318 1 151 . 1 1 15 15 GLN N N 15 119.497 0.005 . 1 . . . . A 15 GLN N . 34318 1 152 . 1 1 15 15 GLN NE2 N 15 112.379 0.053 . 1 . . . . A 15 GLN NE2 . 34318 1 153 . 1 1 16 16 ALA H H 1 7.652 0.004 . 1 . . . . A 16 ALA H . 34318 1 154 . 1 1 16 16 ALA HA H 1 4.063 0.007 . 1 . . . . A 16 ALA HA . 34318 1 155 . 1 1 16 16 ALA HB1 H 1 1.235 0.004 . 1 . . . . A 16 ALA HB1 . 34318 1 156 . 1 1 16 16 ALA HB2 H 1 1.235 0.004 . 1 . . . . A 16 ALA HB2 . 34318 1 157 . 1 1 16 16 ALA HB3 H 1 1.235 0.004 . 1 . . . . A 16 ALA HB3 . 34318 1 158 . 1 1 16 16 ALA C C 13 178.817 0.000 . 1 . . . . A 16 ALA C . 34318 1 159 . 1 1 16 16 ALA CA C 13 53.626 0.048 . 1 . . . . A 16 ALA CA . 34318 1 160 . 1 1 16 16 ALA CB C 13 19.183 0.028 . 1 . . . . A 16 ALA CB . 34318 1 161 . 1 1 16 16 ALA N N 15 119.684 0.012 . 1 . . . . A 16 ALA N . 34318 1 162 . 1 1 17 17 GLU H H 1 7.207 0.003 . 1 . . . . A 17 GLU H . 34318 1 163 . 1 1 17 17 GLU HA H 1 4.029 0.005 . 1 . . . . A 17 GLU HA . 34318 1 164 . 1 1 17 17 GLU HB2 H 1 2.059 0.004 . 1 . . . . A 17 GLU HB2 . 34318 1 165 . 1 1 17 17 GLU HG2 H 1 2.384 0.014 . 2 . . . . A 17 GLU HG2 . 34318 1 166 . 1 1 17 17 GLU HG3 H 1 2.271 0.004 . 2 . . . . A 17 GLU HG3 . 34318 1 167 . 1 1 17 17 GLU C C 13 176.538 0.000 . 1 . . . . A 17 GLU C . 34318 1 168 . 1 1 17 17 GLU CA C 13 57.400 0.047 . 1 . . . . A 17 GLU CA . 34318 1 169 . 1 1 17 17 GLU CB C 13 30.032 0.030 . 1 . . . . A 17 GLU CB . 34318 1 170 . 1 1 17 17 GLU CG C 13 36.442 0.000 . 1 . . . . A 17 GLU CG . 34318 1 171 . 1 1 17 17 GLU N N 15 118.361 0.019 . 1 . . . . A 17 GLU N . 34318 1 172 . 1 1 18 18 LYS H H 1 7.899 0.003 . 1 . . . . A 18 LYS H . 34318 1 173 . 1 1 18 18 LYS HA H 1 4.043 0.003 . 1 . . . . A 18 LYS HA . 34318 1 174 . 1 1 18 18 LYS HB2 H 1 1.809 0.004 . 2 . . . . A 18 LYS HB2 . 34318 1 175 . 1 1 18 18 LYS HB3 H 1 1.922 0.003 . 2 . . . . A 18 LYS HB3 . 34318 1 176 . 1 1 18 18 LYS HG2 H 1 1.468 0.007 . 2 . . . . A 18 LYS HG2 . 34318 1 177 . 1 1 18 18 LYS HG3 H 1 1.411 0.002 . 2 . . . . A 18 LYS HG3 . 34318 1 178 . 1 1 18 18 LYS HD2 H 1 1.724 0.007 . 1 . . . . A 18 LYS HD2 . 34318 1 179 . 1 1 18 18 LYS HE2 H 1 3.033 0.004 . 1 . . . . A 18 LYS HE2 . 34318 1 180 . 1 1 18 18 LYS C C 13 176.248 0.000 . 1 . . . . A 18 LYS C . 34318 1 181 . 1 1 18 18 LYS CA C 13 56.876 0.050 . 1 . . . . A 18 LYS CA . 34318 1 182 . 1 1 18 18 LYS CB C 13 31.485 0.060 . 1 . . . . A 18 LYS CB . 34318 1 183 . 1 1 18 18 LYS CG C 13 24.846 0.051 . 1 . . . . A 18 LYS CG . 34318 1 184 . 1 1 18 18 LYS CD C 13 29.342 0.000 . 1 . . . . A 18 LYS CD . 34318 1 185 . 1 1 18 18 LYS CE C 13 42.336 0.062 . 1 . . . . A 18 LYS CE . 34318 1 186 . 1 1 18 18 LYS N N 15 118.698 0.011 . 1 . . . . A 18 LYS N . 34318 1 187 . 1 1 19 19 ASN H H 1 8.765 0.001 . 1 . . . . A 19 ASN H . 34318 1 188 . 1 1 19 19 ASN HA H 1 4.684 0.002 . 1 . . . . A 19 ASN HA . 34318 1 189 . 1 1 19 19 ASN HB2 H 1 2.837 0.007 . 2 . . . . A 19 ASN HB2 . 34318 1 190 . 1 1 19 19 ASN HB3 H 1 2.569 0.004 . 2 . . . . A 19 ASN HB3 . 34318 1 191 . 1 1 19 19 ASN HD21 H 1 6.944 0.004 . 1 . . . . A 19 ASN HD21 . 34318 1 192 . 1 1 19 19 ASN HD22 H 1 7.705 0.004 . 1 . . . . A 19 ASN HD22 . 34318 1 193 . 1 1 19 19 ASN CA C 13 53.211 0.037 . 1 . . . . A 19 ASN CA . 34318 1 194 . 1 1 19 19 ASN CB C 13 39.061 0.036 . 1 . . . . A 19 ASN CB . 34318 1 195 . 1 1 19 19 ASN N N 15 119.226 0.010 . 1 . . . . A 19 ASN N . 34318 1 196 . 1 1 19 19 ASN ND2 N 15 112.915 0.106 . 1 . . . . A 19 ASN ND2 . 34318 1 197 . 1 1 20 20 ARG HA H 1 4.101 0.004 . 1 . . . . A 20 ARG HA . 34318 1 198 . 1 1 20 20 ARG HB2 H 1 1.915 0.004 . 1 . . . . A 20 ARG HB2 . 34318 1 199 . 1 1 20 20 ARG HG2 H 1 1.731 0.004 . 1 . . . . A 20 ARG HG2 . 34318 1 200 . 1 1 20 20 ARG HD2 H 1 3.246 0.002 . 1 . . . . A 20 ARG HD2 . 34318 1 201 . 1 1 20 20 ARG C C 13 177.031 0.000 . 1 . . . . A 20 ARG C . 34318 1 202 . 1 1 20 20 ARG CA C 13 58.461 0.053 . 1 . . . . A 20 ARG CA . 34318 1 203 . 1 1 20 20 ARG CB C 13 29.833 0.080 . 1 . . . . A 20 ARG CB . 34318 1 204 . 1 1 20 20 ARG CG C 13 27.077 0.000 . 1 . . . . A 20 ARG CG . 34318 1 205 . 1 1 20 20 ARG CD C 13 43.250 0.000 . 1 . . . . A 20 ARG CD . 34318 1 206 . 1 1 21 21 ALA H H 1 8.531 0.002 . 1 . . . . A 21 ALA H . 34318 1 207 . 1 1 21 21 ALA HA H 1 4.330 0.005 . 1 . . . . A 21 ALA HA . 34318 1 208 . 1 1 21 21 ALA HB1 H 1 1.371 0.004 . 1 . . . . A 21 ALA HB1 . 34318 1 209 . 1 1 21 21 ALA HB2 H 1 1.371 0.004 . 1 . . . . A 21 ALA HB2 . 34318 1 210 . 1 1 21 21 ALA HB3 H 1 1.371 0.004 . 1 . . . . A 21 ALA HB3 . 34318 1 211 . 1 1 21 21 ALA C C 13 177.722 0.000 . 1 . . . . A 21 ALA C . 34318 1 212 . 1 1 21 21 ALA CA C 13 52.346 0.036 . 1 . . . . A 21 ALA CA . 34318 1 213 . 1 1 21 21 ALA CB C 13 19.137 0.019 . 1 . . . . A 21 ALA CB . 34318 1 214 . 1 1 21 21 ALA N N 15 120.613 0.018 . 1 . . . . A 21 ALA N . 34318 1 215 . 1 1 22 22 GLY H H 1 7.651 0.002 . 1 . . . . A 22 GLY H . 34318 1 216 . 1 1 22 22 GLY HA2 H 1 3.999 0.001 . 2 . . . . A 22 GLY HA2 . 34318 1 217 . 1 1 22 22 GLY HA3 H 1 3.878 0.007 . 2 . . . . A 22 GLY HA3 . 34318 1 218 . 1 1 22 22 GLY C C 13 173.009 0.000 . 1 . . . . A 22 GLY C . 34318 1 219 . 1 1 22 22 GLY CA C 13 44.190 0.020 . 1 . . . . A 22 GLY CA . 34318 1 220 . 1 1 22 22 GLY N N 15 106.219 0.021 . 1 . . . . A 22 GLY N . 34318 1 221 . 1 1 23 23 SER H H 1 8.881 0.005 . 1 . . . . A 23 SER H . 34318 1 222 . 1 1 23 23 SER HA H 1 4.973 0.003 . 1 . . . . A 23 SER HA . 34318 1 223 . 1 1 23 23 SER HB2 H 1 3.957 0.005 . 1 . . . . A 23 SER HB2 . 34318 1 224 . 1 1 23 23 SER C C 13 173.963 0.000 . 1 . . . . A 23 SER C . 34318 1 225 . 1 1 23 23 SER CA C 13 58.645 0.029 . 1 . . . . A 23 SER CA . 34318 1 226 . 1 1 23 23 SER CB C 13 66.357 0.053 . 1 . . . . A 23 SER CB . 34318 1 227 . 1 1 23 23 SER N N 15 115.648 0.009 . 1 . . . . A 23 SER N . 34318 1 228 . 1 1 24 24 SER H H 1 9.207 0.004 . 1 . . . . A 24 SER H . 34318 1 229 . 1 1 24 24 SER HA H 1 4.991 0.000 . 1 . . . . A 24 SER HA . 34318 1 230 . 1 1 24 24 SER C C 13 175.099 0.000 . 1 . . . . A 24 SER C . 34318 1 231 . 1 1 24 24 SER CA C 13 56.817 0.017 . 1 . . . . A 24 SER CA . 34318 1 232 . 1 1 24 24 SER CB C 13 65.616 0.003 . 1 . . . . A 24 SER CB . 34318 1 233 . 1 1 24 24 SER N N 15 120.995 0.030 . 1 . . . . A 24 SER N . 34318 1 234 . 1 1 25 25 ARG H H 1 9.469 0.004 . 1 . . . . A 25 ARG H . 34318 1 235 . 1 1 25 25 ARG HA H 1 3.853 0.004 . 1 . . . . A 25 ARG HA . 34318 1 236 . 1 1 25 25 ARG HB2 H 1 2.004 0.003 . 1 . . . . A 25 ARG HB2 . 34318 1 237 . 1 1 25 25 ARG HG2 H 1 1.593 0.005 . 1 . . . . A 25 ARG HG2 . 34318 1 238 . 1 1 25 25 ARG HD2 H 1 3.271 0.005 . 1 . . . . A 25 ARG HD2 . 34318 1 239 . 1 1 25 25 ARG C C 13 178.055 0.000 . 1 . . . . A 25 ARG C . 34318 1 240 . 1 1 25 25 ARG CA C 13 60.896 0.057 . 1 . . . . A 25 ARG CA . 34318 1 241 . 1 1 25 25 ARG CB C 13 29.657 0.011 . 1 . . . . A 25 ARG CB . 34318 1 242 . 1 1 25 25 ARG CG C 13 27.833 0.050 . 1 . . . . A 25 ARG CG . 34318 1 243 . 1 1 25 25 ARG CD C 13 43.507 0.021 . 1 . . . . A 25 ARG CD . 34318 1 244 . 1 1 25 25 ARG N N 15 121.266 0.023 . 1 . . . . A 25 ARG N . 34318 1 245 . 1 1 26 26 GLN H H 1 8.745 0.001 . 1 . . . . A 26 GLN H . 34318 1 246 . 1 1 26 26 GLN HA H 1 4.096 0.001 . 1 . . . . A 26 GLN HA . 34318 1 247 . 1 1 26 26 GLN HB2 H 1 2.173 0.002 . 2 . . . . A 26 GLN HB2 . 34318 1 248 . 1 1 26 26 GLN HB3 H 1 2.065 0.004 . 2 . . . . A 26 GLN HB3 . 34318 1 249 . 1 1 26 26 GLN HG2 H 1 2.551 0.001 . 2 . . . . A 26 GLN HG2 . 34318 1 250 . 1 1 26 26 GLN HG3 H 1 2.474 0.002 . 2 . . . . A 26 GLN HG3 . 34318 1 251 . 1 1 26 26 GLN HE21 H 1 6.824 0.003 . 1 . . . . A 26 GLN HE21 . 34318 1 252 . 1 1 26 26 GLN HE22 H 1 7.198 0.004 . 1 . . . . A 26 GLN HE22 . 34318 1 253 . 1 1 26 26 GLN C C 13 178.702 0.000 . 1 . . . . A 26 GLN C . 34318 1 254 . 1 1 26 26 GLN CA C 13 59.864 0.040 . 1 . . . . A 26 GLN CA . 34318 1 255 . 1 1 26 26 GLN CB C 13 27.912 0.002 . 1 . . . . A 26 GLN CB . 34318 1 256 . 1 1 26 26 GLN CG C 13 34.300 0.000 . 1 . . . . A 26 GLN CG . 34318 1 257 . 1 1 26 26 GLN N N 15 117.124 0.009 . 1 . . . . A 26 GLN N . 34318 1 258 . 1 1 26 26 GLN NE2 N 15 111.398 0.074 . 1 . . . . A 26 GLN NE2 . 34318 1 259 . 1 1 27 27 SER H H 1 8.477 0.002 . 1 . . . . A 27 SER H . 34318 1 260 . 1 1 27 27 SER HA H 1 4.240 0.013 . 1 . . . . A 27 SER HA . 34318 1 261 . 1 1 27 27 SER HB2 H 1 4.071 0.003 . 1 . . . . A 27 SER HB2 . 34318 1 262 . 1 1 27 27 SER C C 13 177.735 0.000 . 1 . . . . A 27 SER C . 34318 1 263 . 1 1 27 27 SER CA C 13 62.015 0.042 . 1 . . . . A 27 SER CA . 34318 1 264 . 1 1 27 27 SER CB C 13 62.730 0.039 . 1 . . . . A 27 SER CB . 34318 1 265 . 1 1 27 27 SER N N 15 118.799 0.015 . 1 . . . . A 27 SER N . 34318 1 266 . 1 1 28 28 ILE H H 1 8.402 0.003 . 1 . . . . A 28 ILE H . 34318 1 267 . 1 1 28 28 ILE HA H 1 3.671 0.002 . 1 . . . . A 28 ILE HA . 34318 1 268 . 1 1 28 28 ILE HB H 1 1.963 0.004 . 1 . . . . A 28 ILE HB . 34318 1 269 . 1 1 28 28 ILE HG12 H 1 0.780 0.004 . 1 . . . . A 28 ILE HG12 . 34318 1 270 . 1 1 28 28 ILE HG21 H 1 0.899 0.005 . 1 . . . . A 28 ILE HG21 . 34318 1 271 . 1 1 28 28 ILE HG22 H 1 0.899 0.005 . 1 . . . . A 28 ILE HG22 . 34318 1 272 . 1 1 28 28 ILE HG23 H 1 0.899 0.005 . 1 . . . . A 28 ILE HG23 . 34318 1 273 . 1 1 28 28 ILE HD11 H 1 0.669 0.007 . 1 . . . . A 28 ILE HD11 . 34318 1 274 . 1 1 28 28 ILE HD12 H 1 0.669 0.007 . 1 . . . . A 28 ILE HD12 . 34318 1 275 . 1 1 28 28 ILE HD13 H 1 0.669 0.007 . 1 . . . . A 28 ILE HD13 . 34318 1 276 . 1 1 28 28 ILE C C 13 177.674 0.000 . 1 . . . . A 28 ILE C . 34318 1 277 . 1 1 28 28 ILE CA C 13 65.870 0.051 . 1 . . . . A 28 ILE CA . 34318 1 278 . 1 1 28 28 ILE CB C 13 38.779 0.049 . 1 . . . . A 28 ILE CB . 34318 1 279 . 1 1 28 28 ILE CG1 C 13 29.573 0.013 . 1 . . . . A 28 ILE CG1 . 34318 1 280 . 1 1 28 28 ILE CG2 C 13 18.777 0.037 . 1 . . . . A 28 ILE CG2 . 34318 1 281 . 1 1 28 28 ILE CD1 C 13 14.350 0.047 . 1 . . . . A 28 ILE CD1 . 34318 1 282 . 1 1 28 28 ILE N N 15 124.632 0.009 . 1 . . . . A 28 ILE N . 34318 1 283 . 1 1 29 29 GLN H H 1 8.680 0.005 . 1 . . . . A 29 GLN H . 34318 1 284 . 1 1 29 29 GLN HA H 1 3.954 0.003 . 1 . . . . A 29 GLN HA . 34318 1 285 . 1 1 29 29 GLN HB2 H 1 2.356 0.002 . 2 . . . . A 29 GLN HB2 . 34318 1 286 . 1 1 29 29 GLN HB3 H 1 2.162 0.002 . 2 . . . . A 29 GLN HB3 . 34318 1 287 . 1 1 29 29 GLN HG2 H 1 2.445 0.001 . 2 . . . . A 29 GLN HG2 . 34318 1 288 . 1 1 29 29 GLN HG3 H 1 2.375 0.000 . 2 . . . . A 29 GLN HG3 . 34318 1 289 . 1 1 29 29 GLN HE21 H 1 6.946 0.004 . 1 . . . . A 29 GLN HE21 . 34318 1 290 . 1 1 29 29 GLN HE22 H 1 7.321 0.002 . 1 . . . . A 29 GLN HE22 . 34318 1 291 . 1 1 29 29 GLN C C 13 177.444 0.000 . 1 . . . . A 29 GLN C . 34318 1 292 . 1 1 29 29 GLN CA C 13 60.118 0.018 . 1 . . . . A 29 GLN CA . 34318 1 293 . 1 1 29 29 GLN CB C 13 28.908 0.021 . 1 . . . . A 29 GLN CB . 34318 1 294 . 1 1 29 29 GLN CG C 13 34.514 0.000 . 1 . . . . A 29 GLN CG . 34318 1 295 . 1 1 29 29 GLN N N 15 118.583 0.015 . 1 . . . . A 29 GLN N . 34318 1 296 . 1 1 29 29 GLN NE2 N 15 110.358 0.079 . 1 . . . . A 29 GLN NE2 . 34318 1 297 . 1 1 30 30 LYS H H 1 8.181 0.002 . 1 . . . . A 30 LYS H . 34318 1 298 . 1 1 30 30 LYS HA H 1 4.096 0.000 . 1 . . . . A 30 LYS HA . 34318 1 299 . 1 1 30 30 LYS HB2 H 1 2.043 0.000 . 2 . . . . A 30 LYS HB2 . 34318 1 300 . 1 1 30 30 LYS HB3 H 1 1.976 0.000 . 2 . . . . A 30 LYS HB3 . 34318 1 301 . 1 1 30 30 LYS HD2 H 1 1.577 0.000 . 1 . . . . A 30 LYS HD2 . 34318 1 302 . 1 1 30 30 LYS C C 13 179.896 0.000 . 1 . . . . A 30 LYS C . 34318 1 303 . 1 1 30 30 LYS CA C 13 59.495 0.028 . 1 . . . . A 30 LYS CA . 34318 1 304 . 1 1 30 30 LYS CB C 13 32.639 0.007 . 1 . . . . A 30 LYS CB . 34318 1 305 . 1 1 30 30 LYS N N 15 118.573 0.022 . 1 . . . . A 30 LYS N . 34318 1 306 . 1 1 31 31 TYR H H 1 8.509 0.002 . 1 . . . . A 31 TYR H . 34318 1 307 . 1 1 31 31 TYR HA H 1 4.148 0.005 . 1 . . . . A 31 TYR HA . 34318 1 308 . 1 1 31 31 TYR HB2 H 1 3.278 0.001 . 2 . . . . A 31 TYR HB2 . 34318 1 309 . 1 1 31 31 TYR HB3 H 1 3.319 0.000 . 2 . . . . A 31 TYR HB3 . 34318 1 310 . 1 1 31 31 TYR HD1 H 1 6.927 0.002 . 1 . . . . A 31 TYR HD1 . 34318 1 311 . 1 1 31 31 TYR HD2 H 1 6.927 0.002 . 1 . . . . A 31 TYR HD2 . 34318 1 312 . 1 1 31 31 TYR HE1 H 1 6.413 0.000 . 1 . . . . A 31 TYR HE1 . 34318 1 313 . 1 1 31 31 TYR HE2 H 1 6.413 0.000 . 1 . . . . A 31 TYR HE2 . 34318 1 314 . 1 1 31 31 TYR C C 13 179.581 0.000 . 1 . . . . A 31 TYR C . 34318 1 315 . 1 1 31 31 TYR CA C 13 62.370 0.006 . 1 . . . . A 31 TYR CA . 34318 1 316 . 1 1 31 31 TYR CB C 13 38.449 0.013 . 1 . . . . A 31 TYR CB . 34318 1 317 . 1 1 31 31 TYR CD1 C 13 132.991 0.017 . 1 . . . . A 31 TYR CD1 . 34318 1 318 . 1 1 31 31 TYR CD2 C 13 132.991 0.017 . 1 . . . . A 31 TYR CD2 . 34318 1 319 . 1 1 31 31 TYR CE1 C 13 117.326 0.000 . 1 . . . . A 31 TYR CE1 . 34318 1 320 . 1 1 31 31 TYR CE2 C 13 117.326 0.000 . 1 . . . . A 31 TYR CE2 . 34318 1 321 . 1 1 31 31 TYR N N 15 121.298 0.013 . 1 . . . . A 31 TYR N . 34318 1 322 . 1 1 32 32 ILE H H 1 8.957 0.003 . 1 . . . . A 32 ILE H . 34318 1 323 . 1 1 32 32 ILE HA H 1 3.953 0.003 . 1 . . . . A 32 ILE HA . 34318 1 324 . 1 1 32 32 ILE HB H 1 2.054 0.006 . 1 . . . . A 32 ILE HB . 34318 1 325 . 1 1 32 32 ILE HG12 H 1 1.124 0.007 . 1 . . . . A 32 ILE HG12 . 34318 1 326 . 1 1 32 32 ILE HG21 H 1 1.054 0.006 . 1 . . . . A 32 ILE HG21 . 34318 1 327 . 1 1 32 32 ILE HG22 H 1 1.054 0.006 . 1 . . . . A 32 ILE HG22 . 34318 1 328 . 1 1 32 32 ILE HG23 H 1 1.054 0.006 . 1 . . . . A 32 ILE HG23 . 34318 1 329 . 1 1 32 32 ILE HD11 H 1 0.795 0.002 . 1 . . . . A 32 ILE HD11 . 34318 1 330 . 1 1 32 32 ILE HD12 H 1 0.795 0.002 . 1 . . . . A 32 ILE HD12 . 34318 1 331 . 1 1 32 32 ILE HD13 H 1 0.795 0.002 . 1 . . . . A 32 ILE HD13 . 34318 1 332 . 1 1 32 32 ILE C C 13 177.379 0.000 . 1 . . . . A 32 ILE C . 34318 1 333 . 1 1 32 32 ILE CA C 13 66.965 0.057 . 1 . . . . A 32 ILE CA . 34318 1 334 . 1 1 32 32 ILE CB C 13 38.056 0.029 . 1 . . . . A 32 ILE CB . 34318 1 335 . 1 1 32 32 ILE CG1 C 13 31.174 0.110 . 1 . . . . A 32 ILE CG1 . 34318 1 336 . 1 1 32 32 ILE CG2 C 13 16.995 0.024 . 1 . . . . A 32 ILE CG2 . 34318 1 337 . 1 1 32 32 ILE CD1 C 13 15.271 0.000 . 1 . . . . A 32 ILE CD1 . 34318 1 338 . 1 1 32 32 ILE N N 15 121.177 0.035 . 1 . . . . A 32 ILE N . 34318 1 339 . 1 1 33 33 LYS H H 1 8.274 0.002 . 1 . . . . A 33 LYS H . 34318 1 340 . 1 1 33 33 LYS HA H 1 4.116 0.002 . 1 . . . . A 33 LYS HA . 34318 1 341 . 1 1 33 33 LYS HB2 H 1 2.002 0.005 . 2 . . . . A 33 LYS HB2 . 34318 1 342 . 1 1 33 33 LYS HB3 H 1 1.808 0.005 . 2 . . . . A 33 LYS HB3 . 34318 1 343 . 1 1 33 33 LYS HG2 H 1 1.394 0.003 . 1 . . . . A 33 LYS HG2 . 34318 1 344 . 1 1 33 33 LYS C C 13 177.581 0.000 . 1 . . . . A 33 LYS C . 34318 1 345 . 1 1 33 33 LYS CA C 13 59.497 0.051 . 1 . . . . A 33 LYS CA . 34318 1 346 . 1 1 33 33 LYS CB C 13 32.105 0.016 . 1 . . . . A 33 LYS CB . 34318 1 347 . 1 1 33 33 LYS CG C 13 26.834 0.030 . 1 . . . . A 33 LYS CG . 34318 1 348 . 1 1 33 33 LYS N N 15 115.695 0.022 . 1 . . . . A 33 LYS N . 34318 1 349 . 1 1 34 34 SER H H 1 7.602 0.003 . 1 . . . . A 34 SER H . 34318 1 350 . 1 1 34 34 SER HA H 1 4.450 0.001 . 1 . . . . A 34 SER HA . 34318 1 351 . 1 1 34 34 SER HB2 H 1 3.724 0.023 . 2 . . . . A 34 SER HB2 . 34318 1 352 . 1 1 34 34 SER HB3 H 1 3.811 0.003 . 2 . . . . A 34 SER HB3 . 34318 1 353 . 1 1 34 34 SER C C 13 175.382 0.000 . 1 . . . . A 34 SER C . 34318 1 354 . 1 1 34 34 SER CA C 13 59.041 0.027 . 1 . . . . A 34 SER CA . 34318 1 355 . 1 1 34 34 SER CB C 13 64.258 0.048 . 1 . . . . A 34 SER CB . 34318 1 356 . 1 1 34 34 SER N N 15 109.053 0.077 . 1 . . . . A 34 SER N . 34318 1 357 . 1 1 35 35 HIS H H 1 7.658 0.004 . 1 . . . . A 35 HIS H . 34318 1 358 . 1 1 35 35 HIS HA H 1 4.249 0.002 . 1 . . . . A 35 HIS HA . 34318 1 359 . 1 1 35 35 HIS HB2 H 1 2.347 0.005 . 2 . . . . A 35 HIS HB2 . 34318 1 360 . 1 1 35 35 HIS HB3 H 1 2.087 0.006 . 2 . . . . A 35 HIS HB3 . 34318 1 361 . 1 1 35 35 HIS HD2 H 1 6.623 0.000 . 1 . . . . A 35 HIS HD2 . 34318 1 362 . 1 1 35 35 HIS HE1 H 1 7.936 0.001 . 1 . . . . A 35 HIS HE1 . 34318 1 363 . 1 1 35 35 HIS C C 13 172.975 0.000 . 1 . . . . A 35 HIS C . 34318 1 364 . 1 1 35 35 HIS CA C 13 57.945 0.021 . 1 . . . . A 35 HIS CA . 34318 1 365 . 1 1 35 35 HIS CB C 13 30.020 0.083 . 1 . . . . A 35 HIS CB . 34318 1 366 . 1 1 35 35 HIS CD2 C 13 119.978 0.000 . 1 . . . . A 35 HIS CD2 . 34318 1 367 . 1 1 35 35 HIS CE1 C 13 136.313 0.000 . 1 . . . . A 35 HIS CE1 . 34318 1 368 . 1 1 35 35 HIS N N 15 117.078 0.046 . 1 . . . . A 35 HIS N . 34318 1 369 . 1 1 36 36 TYR H H 1 8.240 0.005 . 1 . . . . A 36 TYR H . 34318 1 370 . 1 1 36 36 TYR HA H 1 4.928 0.006 . 1 . . . . A 36 TYR HA . 34318 1 371 . 1 1 36 36 TYR HB2 H 1 2.745 0.001 . 2 . . . . A 36 TYR HB2 . 34318 1 372 . 1 1 36 36 TYR HB3 H 1 2.912 0.002 . 2 . . . . A 36 TYR HB3 . 34318 1 373 . 1 1 36 36 TYR HD1 H 1 7.426 0.000 . 1 . . . . A 36 TYR HD1 . 34318 1 374 . 1 1 36 36 TYR HD2 H 1 7.426 0.000 . 1 . . . . A 36 TYR HD2 . 34318 1 375 . 1 1 36 36 TYR HE1 H 1 6.801 0.001 . 1 . . . . A 36 TYR HE1 . 34318 1 376 . 1 1 36 36 TYR HE2 H 1 6.801 0.001 . 1 . . . . A 36 TYR HE2 . 34318 1 377 . 1 1 36 36 TYR C C 13 174.890 0.000 . 1 . . . . A 36 TYR C . 34318 1 378 . 1 1 36 36 TYR CA C 13 56.293 0.045 . 1 . . . . A 36 TYR CA . 34318 1 379 . 1 1 36 36 TYR CB C 13 42.597 0.031 . 1 . . . . A 36 TYR CB . 34318 1 380 . 1 1 36 36 TYR CD1 C 13 134.599 0.010 . 1 . . . . A 36 TYR CD1 . 34318 1 381 . 1 1 36 36 TYR CD2 C 13 134.599 0.010 . 1 . . . . A 36 TYR CD2 . 34318 1 382 . 1 1 36 36 TYR CE1 C 13 117.475 0.010 . 1 . . . . A 36 TYR CE1 . 34318 1 383 . 1 1 36 36 TYR CE2 C 13 117.475 0.010 . 1 . . . . A 36 TYR CE2 . 34318 1 384 . 1 1 36 36 TYR N N 15 118.187 0.022 . 1 . . . . A 36 TYR N . 34318 1 385 . 1 1 37 37 LYS H H 1 9.079 0.006 . 1 . . . . A 37 LYS H . 34318 1 386 . 1 1 37 37 LYS HA H 1 4.576 0.002 . 1 . . . . A 37 LYS HA . 34318 1 387 . 1 1 37 37 LYS HB2 H 1 1.939 0.009 . 2 . . . . A 37 LYS HB2 . 34318 1 388 . 1 1 37 37 LYS HB3 H 1 1.812 0.004 . 2 . . . . A 37 LYS HB3 . 34318 1 389 . 1 1 37 37 LYS HG2 H 1 1.418 0.012 . 2 . . . . A 37 LYS HG2 . 34318 1 390 . 1 1 37 37 LYS HG3 H 1 1.522 0.001 . 2 . . . . A 37 LYS HG3 . 34318 1 391 . 1 1 37 37 LYS HD2 H 1 1.739 0.002 . 1 . . . . A 37 LYS HD2 . 34318 1 392 . 1 1 37 37 LYS HE2 H 1 3.024 0.008 . 1 . . . . A 37 LYS HE2 . 34318 1 393 . 1 1 37 37 LYS C C 13 176.315 0.000 . 1 . . . . A 37 LYS C . 34318 1 394 . 1 1 37 37 LYS CA C 13 55.108 0.064 . 1 . . . . A 37 LYS CA . 34318 1 395 . 1 1 37 37 LYS CB C 13 31.352 0.000 . 1 . . . . A 37 LYS CB . 34318 1 396 . 1 1 37 37 LYS CG C 13 24.743 0.020 . 1 . . . . A 37 LYS CG . 34318 1 397 . 1 1 37 37 LYS CD C 13 29.020 0.057 . 1 . . . . A 37 LYS CD . 34318 1 398 . 1 1 37 37 LYS CE C 13 42.392 0.086 . 1 . . . . A 37 LYS CE . 34318 1 399 . 1 1 37 37 LYS N N 15 124.065 0.041 . 1 . . . . A 37 LYS N . 34318 1 400 . 1 1 38 38 VAL H H 1 7.784 0.006 . 1 . . . . A 38 VAL H . 34318 1 401 . 1 1 38 38 VAL HA H 1 4.385 0.004 . 1 . . . . A 38 VAL HA . 34318 1 402 . 1 1 38 38 VAL HB H 1 2.357 0.005 . 1 . . . . A 38 VAL HB . 34318 1 403 . 1 1 38 38 VAL HG11 H 1 0.857 0.003 . 2 . . . . A 38 VAL HG11 . 34318 1 404 . 1 1 38 38 VAL HG12 H 1 0.857 0.003 . 2 . . . . A 38 VAL HG12 . 34318 1 405 . 1 1 38 38 VAL HG13 H 1 0.857 0.003 . 2 . . . . A 38 VAL HG13 . 34318 1 406 . 1 1 38 38 VAL HG21 H 1 0.269 0.002 . 2 . . . . A 38 VAL HG21 . 34318 1 407 . 1 1 38 38 VAL HG22 H 1 0.269 0.002 . 2 . . . . A 38 VAL HG22 . 34318 1 408 . 1 1 38 38 VAL HG23 H 1 0.269 0.002 . 2 . . . . A 38 VAL HG23 . 34318 1 409 . 1 1 38 38 VAL C C 13 176.709 0.000 . 1 . . . . A 38 VAL C . 34318 1 410 . 1 1 38 38 VAL CA C 13 60.094 0.051 . 1 . . . . A 38 VAL CA . 34318 1 411 . 1 1 38 38 VAL CB C 13 33.610 0.070 . 1 . . . . A 38 VAL CB . 34318 1 412 . 1 1 38 38 VAL CG1 C 13 18.934 0.019 . 1 . . . . A 38 VAL CG1 . 34318 1 413 . 1 1 38 38 VAL CG2 C 13 22.685 0.000 . 1 . . . . A 38 VAL CG2 . 34318 1 414 . 1 1 38 38 VAL N N 15 115.066 0.024 . 1 . . . . A 38 VAL N . 34318 1 415 . 1 1 39 39 GLY H H 1 8.416 0.003 . 1 . . . . A 39 GLY H . 34318 1 416 . 1 1 39 39 GLY HA2 H 1 4.120 0.242 . 2 . . . . A 39 GLY HA2 . 34318 1 417 . 1 1 39 39 GLY HA3 H 1 3.948 0.000 . 2 . . . . A 39 GLY HA3 . 34318 1 418 . 1 1 39 39 GLY C C 13 175.208 0.000 . 1 . . . . A 39 GLY C . 34318 1 419 . 1 1 39 39 GLY CA C 13 44.191 0.037 . 1 . . . . A 39 GLY CA . 34318 1 420 . 1 1 39 39 GLY N N 15 108.121 0.009 . 1 . . . . A 39 GLY N . 34318 1 421 . 1 1 40 40 GLU H H 1 8.798 0.001 . 1 . . . . A 40 GLU H . 34318 1 422 . 1 1 40 40 GLU HA H 1 4.168 0.003 . 1 . . . . A 40 GLU HA . 34318 1 423 . 1 1 40 40 GLU HB2 H 1 2.044 0.001 . 2 . . . . A 40 GLU HB2 . 34318 1 424 . 1 1 40 40 GLU HB3 H 1 2.119 0.001 . 2 . . . . A 40 GLU HB3 . 34318 1 425 . 1 1 40 40 GLU HG2 H 1 2.380 0.009 . 2 . . . . A 40 GLU HG2 . 34318 1 426 . 1 1 40 40 GLU HG3 H 1 2.362 0.001 . 2 . . . . A 40 GLU HG3 . 34318 1 427 . 1 1 40 40 GLU C C 13 177.119 0.000 . 1 . . . . A 40 GLU C . 34318 1 428 . 1 1 40 40 GLU CA C 13 58.306 0.024 . 1 . . . . A 40 GLU CA . 34318 1 429 . 1 1 40 40 GLU CB C 13 29.517 0.008 . 1 . . . . A 40 GLU CB . 34318 1 430 . 1 1 40 40 GLU CG C 13 36.514 0.000 . 1 . . . . A 40 GLU CG . 34318 1 431 . 1 1 40 40 GLU N N 15 118.865 0.004 . 1 . . . . A 40 GLU N . 34318 1 432 . 1 1 41 41 ASN H H 1 8.592 0.002 . 1 . . . . A 41 ASN H . 34318 1 433 . 1 1 41 41 ASN HA H 1 4.906 0.007 . 1 . . . . A 41 ASN HA . 34318 1 434 . 1 1 41 41 ASN HB2 H 1 2.926 0.028 . 2 . . . . A 41 ASN HB2 . 34318 1 435 . 1 1 41 41 ASN HB3 H 1 3.046 0.016 . 2 . . . . A 41 ASN HB3 . 34318 1 436 . 1 1 41 41 ASN HD21 H 1 7.727 0.002 . 1 . . . . A 41 ASN HD21 . 34318 1 437 . 1 1 41 41 ASN HD22 H 1 7.114 0.004 . 1 . . . . A 41 ASN HD22 . 34318 1 438 . 1 1 41 41 ASN C C 13 175.704 0.000 . 1 . . . . A 41 ASN C . 34318 1 439 . 1 1 41 41 ASN CA C 13 52.907 0.300 . 1 . . . . A 41 ASN CA . 34318 1 440 . 1 1 41 41 ASN CB C 13 37.357 0.060 . 1 . . . . A 41 ASN CB . 34318 1 441 . 1 1 41 41 ASN N N 15 117.484 0.015 . 1 . . . . A 41 ASN N . 34318 1 442 . 1 1 41 41 ASN ND2 N 15 112.397 0.070 . 1 . . . . A 41 ASN ND2 . 34318 1 443 . 1 1 42 42 ALA H H 1 7.527 0.003 . 1 . . . . A 42 ALA H . 34318 1 444 . 1 1 42 42 ALA HA H 1 4.156 0.006 . 1 . . . . A 42 ALA HA . 34318 1 445 . 1 1 42 42 ALA HB1 H 1 1.511 0.004 . 1 . . . . A 42 ALA HB1 . 34318 1 446 . 1 1 42 42 ALA HB2 H 1 1.511 0.004 . 1 . . . . A 42 ALA HB2 . 34318 1 447 . 1 1 42 42 ALA HB3 H 1 1.511 0.004 . 1 . . . . A 42 ALA HB3 . 34318 1 448 . 1 1 42 42 ALA C C 13 178.840 0.000 . 1 . . . . A 42 ALA C . 34318 1 449 . 1 1 42 42 ALA CA C 13 55.803 0.054 . 1 . . . . A 42 ALA CA . 34318 1 450 . 1 1 42 42 ALA CB C 13 19.350 0.061 . 1 . . . . A 42 ALA CB . 34318 1 451 . 1 1 42 42 ALA N N 15 121.445 0.011 . 1 . . . . A 42 ALA N . 34318 1 452 . 1 1 43 43 ASP H H 1 8.754 0.001 . 1 . . . . A 43 ASP H . 34318 1 453 . 1 1 43 43 ASP HA H 1 4.193 0.002 . 1 . . . . A 43 ASP HA . 34318 1 454 . 1 1 43 43 ASP HB2 H 1 2.657 0.001 . 2 . . . . A 43 ASP HB2 . 34318 1 455 . 1 1 43 43 ASP HB3 H 1 2.580 0.001 . 2 . . . . A 43 ASP HB3 . 34318 1 456 . 1 1 43 43 ASP C C 13 179.277 0.000 . 1 . . . . A 43 ASP C . 34318 1 457 . 1 1 43 43 ASP CA C 13 58.653 0.010 . 1 . . . . A 43 ASP CA . 34318 1 458 . 1 1 43 43 ASP CB C 13 39.464 0.022 . 1 . . . . A 43 ASP CB . 34318 1 459 . 1 1 43 43 ASP N N 15 116.691 0.010 . 1 . . . . A 43 ASP N . 34318 1 460 . 1 1 44 44 SER H H 1 8.083 0.001 . 1 . . . . A 44 SER H . 34318 1 461 . 1 1 44 44 SER HA H 1 4.129 0.003 . 1 . . . . A 44 SER HA . 34318 1 462 . 1 1 44 44 SER HB2 H 1 3.919 0.002 . 2 . . . . A 44 SER HB2 . 34318 1 463 . 1 1 44 44 SER HB3 H 1 3.893 0.003 . 2 . . . . A 44 SER HB3 . 34318 1 464 . 1 1 44 44 SER C C 13 177.056 0.000 . 1 . . . . A 44 SER C . 34318 1 465 . 1 1 44 44 SER CA C 13 61.256 0.037 . 1 . . . . A 44 SER CA . 34318 1 466 . 1 1 44 44 SER CB C 13 62.420 0.021 . 1 . . . . A 44 SER CB . 34318 1 467 . 1 1 44 44 SER N N 15 114.853 0.012 . 1 . . . . A 44 SER N . 34318 1 468 . 1 1 45 45 GLN H H 1 7.818 0.005 . 1 . . . . A 45 GLN H . 34318 1 469 . 1 1 45 45 GLN HA H 1 3.809 0.003 . 1 . . . . A 45 GLN HA . 34318 1 470 . 1 1 45 45 GLN HB2 H 1 1.360 0.008 . 1 . . . . A 45 GLN HB2 . 34318 1 471 . 1 1 45 45 GLN HG2 H 1 2.026 0.001 . 2 . . . . A 45 GLN HG2 . 34318 1 472 . 1 1 45 45 GLN HG3 H 1 1.960 0.001 . 2 . . . . A 45 GLN HG3 . 34318 1 473 . 1 1 45 45 GLN HE21 H 1 7.267 0.003 . 1 . . . . A 45 GLN HE21 . 34318 1 474 . 1 1 45 45 GLN HE22 H 1 6.913 0.002 . 1 . . . . A 45 GLN HE22 . 34318 1 475 . 1 1 45 45 GLN C C 13 179.347 0.000 . 1 . . . . A 45 GLN C . 34318 1 476 . 1 1 45 45 GLN CA C 13 58.295 0.036 . 1 . . . . A 45 GLN CA . 34318 1 477 . 1 1 45 45 GLN CB C 13 27.481 0.021 . 1 . . . . A 45 GLN CB . 34318 1 478 . 1 1 45 45 GLN CG C 13 34.006 0.000 . 1 . . . . A 45 GLN CG . 34318 1 479 . 1 1 45 45 GLN N N 15 121.226 0.051 . 1 . . . . A 45 GLN N . 34318 1 480 . 1 1 45 45 GLN NE2 N 15 114.173 0.070 . 1 . . . . A 45 GLN NE2 . 34318 1 481 . 1 1 46 46 ILE H H 1 8.934 0.005 . 1 . . . . A 46 ILE H . 34318 1 482 . 1 1 46 46 ILE HA H 1 3.443 0.003 . 1 . . . . A 46 ILE HA . 34318 1 483 . 1 1 46 46 ILE HB H 1 1.986 0.005 . 1 . . . . A 46 ILE HB . 34318 1 484 . 1 1 46 46 ILE HG12 H 1 0.876 0.004 . 1 . . . . A 46 ILE HG12 . 34318 1 485 . 1 1 46 46 ILE HG21 H 1 0.807 0.003 . 1 . . . . A 46 ILE HG21 . 34318 1 486 . 1 1 46 46 ILE HG22 H 1 0.807 0.003 . 1 . . . . A 46 ILE HG22 . 34318 1 487 . 1 1 46 46 ILE HG23 H 1 0.807 0.003 . 1 . . . . A 46 ILE HG23 . 34318 1 488 . 1 1 46 46 ILE HD11 H 1 0.981 0.004 . 1 . . . . A 46 ILE HD11 . 34318 1 489 . 1 1 46 46 ILE HD12 H 1 0.981 0.004 . 1 . . . . A 46 ILE HD12 . 34318 1 490 . 1 1 46 46 ILE HD13 H 1 0.981 0.004 . 1 . . . . A 46 ILE HD13 . 34318 1 491 . 1 1 46 46 ILE C C 13 176.780 0.000 . 1 . . . . A 46 ILE C . 34318 1 492 . 1 1 46 46 ILE CA C 13 66.182 0.093 . 1 . . . . A 46 ILE CA . 34318 1 493 . 1 1 46 46 ILE CB C 13 38.307 0.038 . 1 . . . . A 46 ILE CB . 34318 1 494 . 1 1 46 46 ILE CG1 C 13 30.626 0.027 . 1 . . . . A 46 ILE CG1 . 34318 1 495 . 1 1 46 46 ILE CG2 C 13 17.606 0.013 . 1 . . . . A 46 ILE CG2 . 34318 1 496 . 1 1 46 46 ILE CD1 C 13 15.406 0.071 . 1 . . . . A 46 ILE CD1 . 34318 1 497 . 1 1 46 46 ILE N N 15 121.954 0.037 . 1 . . . . A 46 ILE N . 34318 1 498 . 1 1 47 47 LYS H H 1 7.650 0.001 . 1 . . . . A 47 LYS H . 34318 1 499 . 1 1 47 47 LYS HA H 1 3.703 0.004 . 1 . . . . A 47 LYS HA . 34318 1 500 . 1 1 47 47 LYS HB2 H 1 1.866 0.004 . 2 . . . . A 47 LYS HB2 . 34318 1 501 . 1 1 47 47 LYS HB3 H 1 1.920 0.004 . 2 . . . . A 47 LYS HB3 . 34318 1 502 . 1 1 47 47 LYS HG2 H 1 1.279 0.005 . 2 . . . . A 47 LYS HG2 . 34318 1 503 . 1 1 47 47 LYS HG3 H 1 1.532 0.004 . 2 . . . . A 47 LYS HG3 . 34318 1 504 . 1 1 47 47 LYS HD2 H 1 1.673 0.002 . 1 . . . . A 47 LYS HD2 . 34318 1 505 . 1 1 47 47 LYS HE2 H 1 2.920 0.002 . 1 . . . . A 47 LYS HE2 . 34318 1 506 . 1 1 47 47 LYS C C 13 179.142 0.000 . 1 . . . . A 47 LYS C . 34318 1 507 . 1 1 47 47 LYS CA C 13 60.727 0.038 . 1 . . . . A 47 LYS CA . 34318 1 508 . 1 1 47 47 LYS CB C 13 32.697 0.005 . 1 . . . . A 47 LYS CB . 34318 1 509 . 1 1 47 47 LYS CG C 13 25.579 0.075 . 1 . . . . A 47 LYS CG . 34318 1 510 . 1 1 47 47 LYS CD C 13 29.940 0.030 . 1 . . . . A 47 LYS CD . 34318 1 511 . 1 1 47 47 LYS CE C 13 41.985 0.082 . 1 . . . . A 47 LYS CE . 34318 1 512 . 1 1 47 47 LYS N N 15 119.209 0.037 . 1 . . . . A 47 LYS N . 34318 1 513 . 1 1 48 48 LEU H H 1 7.771 0.003 . 1 . . . . A 48 LEU H . 34318 1 514 . 1 1 48 48 LEU HA H 1 4.031 0.004 . 1 . . . . A 48 LEU HA . 34318 1 515 . 1 1 48 48 LEU HB2 H 1 1.537 0.003 . 2 . . . . A 48 LEU HB2 . 34318 1 516 . 1 1 48 48 LEU HB3 H 1 1.716 0.008 . 2 . . . . A 48 LEU HB3 . 34318 1 517 . 1 1 48 48 LEU HD11 H 1 0.851 0.004 . 2 . . . . A 48 LEU HD11 . 34318 1 518 . 1 1 48 48 LEU HD12 H 1 0.851 0.004 . 2 . . . . A 48 LEU HD12 . 34318 1 519 . 1 1 48 48 LEU HD13 H 1 0.851 0.004 . 2 . . . . A 48 LEU HD13 . 34318 1 520 . 1 1 48 48 LEU HD21 H 1 0.848 0.002 . 2 . . . . A 48 LEU HD21 . 34318 1 521 . 1 1 48 48 LEU HD22 H 1 0.848 0.002 . 2 . . . . A 48 LEU HD22 . 34318 1 522 . 1 1 48 48 LEU HD23 H 1 0.848 0.002 . 2 . . . . A 48 LEU HD23 . 34318 1 523 . 1 1 48 48 LEU C C 13 179.618 0.000 . 1 . . . . A 48 LEU C . 34318 1 524 . 1 1 48 48 LEU CA C 13 57.871 0.022 . 1 . . . . A 48 LEU CA . 34318 1 525 . 1 1 48 48 LEU CB C 13 42.232 0.049 . 1 . . . . A 48 LEU CB . 34318 1 526 . 1 1 48 48 LEU CD1 C 13 24.342 0.080 . 2 . . . . A 48 LEU CD1 . 34318 1 527 . 1 1 48 48 LEU CD2 C 13 23.490 0.000 . 2 . . . . A 48 LEU CD2 . 34318 1 528 . 1 1 48 48 LEU N N 15 118.654 0.012 . 1 . . . . A 48 LEU N . 34318 1 529 . 1 1 49 49 SER H H 1 8.110 0.004 . 1 . . . . A 49 SER H . 34318 1 530 . 1 1 49 49 SER HA H 1 4.191 0.002 . 1 . . . . A 49 SER HA . 34318 1 531 . 1 1 49 49 SER HB2 H 1 3.846 0.005 . 2 . . . . A 49 SER HB2 . 34318 1 532 . 1 1 49 49 SER HB3 H 1 3.867 0.001 . 2 . . . . A 49 SER HB3 . 34318 1 533 . 1 1 49 49 SER C C 13 176.513 0.000 . 1 . . . . A 49 SER C . 34318 1 534 . 1 1 49 49 SER CA C 13 62.756 0.030 . 1 . . . . A 49 SER CA . 34318 1 535 . 1 1 49 49 SER CB C 13 63.454 0.000 . 1 . . . . A 49 SER CB . 34318 1 536 . 1 1 49 49 SER N N 15 116.223 0.018 . 1 . . . . A 49 SER N . 34318 1 537 . 1 1 50 50 ILE H H 1 8.593 0.003 . 1 . . . . A 50 ILE H . 34318 1 538 . 1 1 50 50 ILE HA H 1 3.242 0.004 . 1 . . . . A 50 ILE HA . 34318 1 539 . 1 1 50 50 ILE HB H 1 1.585 0.005 . 1 . . . . A 50 ILE HB . 34318 1 540 . 1 1 50 50 ILE HG12 H 1 1.815 0.001 . 1 . . . . A 50 ILE HG12 . 34318 1 541 . 1 1 50 50 ILE HD11 H 1 0.380 0.002 . 1 . . . . A 50 ILE HD11 . 34318 1 542 . 1 1 50 50 ILE HD12 H 1 0.380 0.002 . 1 . . . . A 50 ILE HD12 . 34318 1 543 . 1 1 50 50 ILE HD13 H 1 0.380 0.002 . 1 . . . . A 50 ILE HD13 . 34318 1 544 . 1 1 50 50 ILE C C 13 176.845 0.000 . 1 . . . . A 50 ILE C . 34318 1 545 . 1 1 50 50 ILE CA C 13 66.841 0.071 . 1 . . . . A 50 ILE CA . 34318 1 546 . 1 1 50 50 ILE CB C 13 37.841 0.034 . 1 . . . . A 50 ILE CB . 34318 1 547 . 1 1 50 50 ILE CG1 C 13 30.773 0.000 . 1 . . . . A 50 ILE CG1 . 34318 1 548 . 1 1 50 50 ILE CD1 C 13 14.417 0.000 . 1 . . . . A 50 ILE CD1 . 34318 1 549 . 1 1 50 50 ILE N N 15 121.384 0.015 . 1 . . . . A 50 ILE N . 34318 1 550 . 1 1 51 51 LYS H H 1 7.194 0.002 . 1 . . . . A 51 LYS H . 34318 1 551 . 1 1 51 51 LYS HA H 1 3.961 0.004 . 1 . . . . A 51 LYS HA . 34318 1 552 . 1 1 51 51 LYS HB2 H 1 1.986 0.024 . 2 . . . . A 51 LYS HB2 . 34318 1 553 . 1 1 51 51 LYS HB3 H 1 1.910 0.008 . 2 . . . . A 51 LYS HB3 . 34318 1 554 . 1 1 51 51 LYS HG2 H 1 1.451 0.002 . 2 . . . . A 51 LYS HG2 . 34318 1 555 . 1 1 51 51 LYS HG3 H 1 1.576 0.004 . 2 . . . . A 51 LYS HG3 . 34318 1 556 . 1 1 51 51 LYS HD2 H 1 1.742 0.003 . 1 . . . . A 51 LYS HD2 . 34318 1 557 . 1 1 51 51 LYS HE2 H 1 2.997 0.001 . 1 . . . . A 51 LYS HE2 . 34318 1 558 . 1 1 51 51 LYS C C 13 179.581 0.000 . 1 . . . . A 51 LYS C . 34318 1 559 . 1 1 51 51 LYS CA C 13 59.910 0.047 . 1 . . . . A 51 LYS CA . 34318 1 560 . 1 1 51 51 LYS CB C 13 32.183 0.060 . 1 . . . . A 51 LYS CB . 34318 1 561 . 1 1 51 51 LYS CG C 13 24.938 0.024 . 1 . . . . A 51 LYS CG . 34318 1 562 . 1 1 51 51 LYS CD C 13 29.375 0.066 . 1 . . . . A 51 LYS CD . 34318 1 563 . 1 1 51 51 LYS CE C 13 42.342 0.000 . 1 . . . . A 51 LYS CE . 34318 1 564 . 1 1 51 51 LYS N N 15 116.994 0.008 . 1 . . . . A 51 LYS N . 34318 1 565 . 1 1 52 52 ARG H H 1 7.831 0.003 . 1 . . . . A 52 ARG H . 34318 1 566 . 1 1 52 52 ARG HA H 1 4.175 0.006 . 1 . . . . A 52 ARG HA . 34318 1 567 . 1 1 52 52 ARG HB2 H 1 2.051 0.007 . 1 . . . . A 52 ARG HB2 . 34318 1 568 . 1 1 52 52 ARG HG2 H 1 1.760 0.006 . 2 . . . . A 52 ARG HG2 . 34318 1 569 . 1 1 52 52 ARG HG3 H 1 1.671 0.007 . 2 . . . . A 52 ARG HG3 . 34318 1 570 . 1 1 52 52 ARG HD2 H 1 3.239 0.010 . 2 . . . . A 52 ARG HD2 . 34318 1 571 . 1 1 52 52 ARG HD3 H 1 3.202 0.001 . 2 . . . . A 52 ARG HD3 . 34318 1 572 . 1 1 52 52 ARG C C 13 179.123 0.000 . 1 . . . . A 52 ARG C . 34318 1 573 . 1 1 52 52 ARG CA C 13 59.337 0.059 . 1 . . . . A 52 ARG CA . 34318 1 574 . 1 1 52 52 ARG CB C 13 30.092 0.000 . 1 . . . . A 52 ARG CB . 34318 1 575 . 1 1 52 52 ARG CG C 13 26.928 0.000 . 1 . . . . A 52 ARG CG . 34318 1 576 . 1 1 52 52 ARG CD C 13 43.302 0.000 . 1 . . . . A 52 ARG CD . 34318 1 577 . 1 1 52 52 ARG N N 15 119.920 0.007 . 1 . . . . A 52 ARG N . 34318 1 578 . 1 1 53 53 LEU H H 1 8.540 0.001 . 1 . . . . A 53 LEU H . 34318 1 579 . 1 1 53 53 LEU HA H 1 4.136 0.006 . 1 . . . . A 53 LEU HA . 34318 1 580 . 1 1 53 53 LEU HB2 H 1 1.289 0.007 . 2 . . . . A 53 LEU HB2 . 34318 1 581 . 1 1 53 53 LEU HB3 H 1 1.982 0.010 . 2 . . . . A 53 LEU HB3 . 34318 1 582 . 1 1 53 53 LEU HG H 1 1.930 0.002 . 1 . . . . A 53 LEU HG . 34318 1 583 . 1 1 53 53 LEU HD11 H 1 0.775 0.002 . 2 . . . . A 53 LEU HD11 . 34318 1 584 . 1 1 53 53 LEU HD12 H 1 0.775 0.002 . 2 . . . . A 53 LEU HD12 . 34318 1 585 . 1 1 53 53 LEU HD13 H 1 0.775 0.002 . 2 . . . . A 53 LEU HD13 . 34318 1 586 . 1 1 53 53 LEU HD21 H 1 0.729 0.003 . 2 . . . . A 53 LEU HD21 . 34318 1 587 . 1 1 53 53 LEU HD22 H 1 0.729 0.003 . 2 . . . . A 53 LEU HD22 . 34318 1 588 . 1 1 53 53 LEU HD23 H 1 0.729 0.003 . 2 . . . . A 53 LEU HD23 . 34318 1 589 . 1 1 53 53 LEU C C 13 179.883 0.000 . 1 . . . . A 53 LEU C . 34318 1 590 . 1 1 53 53 LEU CA C 13 57.455 0.047 . 1 . . . . A 53 LEU CA . 34318 1 591 . 1 1 53 53 LEU CB C 13 41.755 0.042 . 1 . . . . A 53 LEU CB . 34318 1 592 . 1 1 53 53 LEU CG C 13 26.846 0.019 . 1 . . . . A 53 LEU CG . 34318 1 593 . 1 1 53 53 LEU CD1 C 13 21.757 0.000 . 2 . . . . A 53 LEU CD1 . 34318 1 594 . 1 1 53 53 LEU CD2 C 13 25.355 0.000 . 2 . . . . A 53 LEU CD2 . 34318 1 595 . 1 1 53 53 LEU N N 15 120.677 0.016 . 1 . . . . A 53 LEU N . 34318 1 596 . 1 1 54 54 VAL H H 1 8.530 0.004 . 1 . . . . A 54 VAL H . 34318 1 597 . 1 1 54 54 VAL HA H 1 4.305 0.007 . 1 . . . . A 54 VAL HA . 34318 1 598 . 1 1 54 54 VAL HB H 1 2.324 0.005 . 1 . . . . A 54 VAL HB . 34318 1 599 . 1 1 54 54 VAL HG11 H 1 1.091 0.003 . 2 . . . . A 54 VAL HG11 . 34318 1 600 . 1 1 54 54 VAL HG12 H 1 1.091 0.003 . 2 . . . . A 54 VAL HG12 . 34318 1 601 . 1 1 54 54 VAL HG13 H 1 1.091 0.003 . 2 . . . . A 54 VAL HG13 . 34318 1 602 . 1 1 54 54 VAL HG21 H 1 1.101 0.007 . 2 . . . . A 54 VAL HG21 . 34318 1 603 . 1 1 54 54 VAL HG22 H 1 1.101 0.007 . 2 . . . . A 54 VAL HG22 . 34318 1 604 . 1 1 54 54 VAL HG23 H 1 1.101 0.007 . 2 . . . . A 54 VAL HG23 . 34318 1 605 . 1 1 54 54 VAL C C 13 180.603 0.000 . 1 . . . . A 54 VAL C . 34318 1 606 . 1 1 54 54 VAL CA C 13 65.601 0.068 . 1 . . . . A 54 VAL CA . 34318 1 607 . 1 1 54 54 VAL CB C 13 32.116 0.039 . 1 . . . . A 54 VAL CB . 34318 1 608 . 1 1 54 54 VAL CG1 C 13 21.554 0.036 . 2 . . . . A 54 VAL CG1 . 34318 1 609 . 1 1 54 54 VAL CG2 C 13 23.853 0.005 . 2 . . . . A 54 VAL CG2 . 34318 1 610 . 1 1 54 54 VAL N N 15 122.144 0.046 . 1 . . . . A 54 VAL N . 34318 1 611 . 1 1 55 55 THR H H 1 8.523 0.003 . 1 . . . . A 55 THR H . 34318 1 612 . 1 1 55 55 THR HA H 1 4.040 0.002 . 1 . . . . A 55 THR HA . 34318 1 613 . 1 1 55 55 THR HB H 1 4.472 0.009 . 1 . . . . A 55 THR HB . 34318 1 614 . 1 1 55 55 THR HG21 H 1 1.334 0.003 . 1 . . . . A 55 THR HG21 . 34318 1 615 . 1 1 55 55 THR HG22 H 1 1.334 0.003 . 1 . . . . A 55 THR HG22 . 34318 1 616 . 1 1 55 55 THR HG23 H 1 1.334 0.003 . 1 . . . . A 55 THR HG23 . 34318 1 617 . 1 1 55 55 THR C C 13 176.655 0.000 . 1 . . . . A 55 THR C . 34318 1 618 . 1 1 55 55 THR CA C 13 67.056 0.055 . 1 . . . . A 55 THR CA . 34318 1 619 . 1 1 55 55 THR CB C 13 68.841 0.140 . 1 . . . . A 55 THR CB . 34318 1 620 . 1 1 55 55 THR CG2 C 13 21.907 0.020 . 1 . . . . A 55 THR CG2 . 34318 1 621 . 1 1 55 55 THR N N 15 119.157 0.037 . 1 . . . . A 55 THR N . 34318 1 622 . 1 1 56 56 THR H H 1 8.167 0.001 . 1 . . . . A 56 THR H . 34318 1 623 . 1 1 56 56 THR HA H 1 4.402 0.003 . 1 . . . . A 56 THR HA . 34318 1 624 . 1 1 56 56 THR HB H 1 4.528 0.001 . 1 . . . . A 56 THR HB . 34318 1 625 . 1 1 56 56 THR HG21 H 1 1.336 0.003 . 1 . . . . A 56 THR HG21 . 34318 1 626 . 1 1 56 56 THR HG22 H 1 1.336 0.003 . 1 . . . . A 56 THR HG22 . 34318 1 627 . 1 1 56 56 THR HG23 H 1 1.336 0.003 . 1 . . . . A 56 THR HG23 . 34318 1 628 . 1 1 56 56 THR C C 13 175.599 0.000 . 1 . . . . A 56 THR C . 34318 1 629 . 1 1 56 56 THR CA C 13 62.463 0.046 . 1 . . . . A 56 THR CA . 34318 1 630 . 1 1 56 56 THR CB C 13 69.999 0.025 . 1 . . . . A 56 THR CB . 34318 1 631 . 1 1 56 56 THR CG2 C 13 21.851 0.056 . 1 . . . . A 56 THR CG2 . 34318 1 632 . 1 1 56 56 THR N N 15 108.272 0.007 . 1 . . . . A 56 THR N . 34318 1 633 . 1 1 57 57 GLY H H 1 7.695 0.004 . 1 . . . . A 57 GLY H . 34318 1 634 . 1 1 57 57 GLY HA2 H 1 4.179 0.010 . 2 . . . . A 57 GLY HA2 . 34318 1 635 . 1 1 57 57 GLY HA3 H 1 3.842 0.000 . 2 . . . . A 57 GLY HA3 . 34318 1 636 . 1 1 57 57 GLY C C 13 174.084 0.000 . 1 . . . . A 57 GLY C . 34318 1 637 . 1 1 57 57 GLY CA C 13 45.923 0.092 . 1 . . . . A 57 GLY CA . 34318 1 638 . 1 1 57 57 GLY N N 15 109.337 0.008 . 1 . . . . A 57 GLY N . 34318 1 639 . 1 1 58 58 VAL H H 1 8.146 0.003 . 1 . . . . A 58 VAL H . 34318 1 640 . 1 1 58 58 VAL HA H 1 3.829 0.004 . 1 . . . . A 58 VAL HA . 34318 1 641 . 1 1 58 58 VAL HB H 1 1.906 0.007 . 1 . . . . A 58 VAL HB . 34318 1 642 . 1 1 58 58 VAL HG11 H 1 0.990 0.012 . 2 . . . . A 58 VAL HG11 . 34318 1 643 . 1 1 58 58 VAL HG12 H 1 0.990 0.012 . 2 . . . . A 58 VAL HG12 . 34318 1 644 . 1 1 58 58 VAL HG13 H 1 0.990 0.012 . 2 . . . . A 58 VAL HG13 . 34318 1 645 . 1 1 58 58 VAL HG21 H 1 0.909 0.001 . 2 . . . . A 58 VAL HG21 . 34318 1 646 . 1 1 58 58 VAL HG22 H 1 0.909 0.001 . 2 . . . . A 58 VAL HG22 . 34318 1 647 . 1 1 58 58 VAL HG23 H 1 0.909 0.001 . 2 . . . . A 58 VAL HG23 . 34318 1 648 . 1 1 58 58 VAL C C 13 177.173 0.000 . 1 . . . . A 58 VAL C . 34318 1 649 . 1 1 58 58 VAL CA C 13 65.218 0.052 . 1 . . . . A 58 VAL CA . 34318 1 650 . 1 1 58 58 VAL CB C 13 33.013 0.033 . 1 . . . . A 58 VAL CB . 34318 1 651 . 1 1 58 58 VAL CG1 C 13 22.684 0.002 . 2 . . . . A 58 VAL CG1 . 34318 1 652 . 1 1 58 58 VAL CG2 C 13 20.928 0.000 . 2 . . . . A 58 VAL CG2 . 34318 1 653 . 1 1 58 58 VAL N N 15 121.459 0.007 . 1 . . . . A 58 VAL N . 34318 1 654 . 1 1 59 59 LEU H H 1 7.245 0.004 . 1 . . . . A 59 LEU H . 34318 1 655 . 1 1 59 59 LEU HA H 1 5.234 0.004 . 1 . . . . A 59 LEU HA . 34318 1 656 . 1 1 59 59 LEU HB2 H 1 1.405 0.005 . 1 . . . . A 59 LEU HB2 . 34318 1 657 . 1 1 59 59 LEU HG H 1 1.535 0.009 . 1 . . . . A 59 LEU HG . 34318 1 658 . 1 1 59 59 LEU HD11 H 1 0.723 0.005 . 2 . . . . A 59 LEU HD11 . 34318 1 659 . 1 1 59 59 LEU HD12 H 1 0.723 0.005 . 2 . . . . A 59 LEU HD12 . 34318 1 660 . 1 1 59 59 LEU HD13 H 1 0.723 0.005 . 2 . . . . A 59 LEU HD13 . 34318 1 661 . 1 1 59 59 LEU HD21 H 1 0.659 0.006 . 2 . . . . A 59 LEU HD21 . 34318 1 662 . 1 1 59 59 LEU HD22 H 1 0.659 0.006 . 2 . . . . A 59 LEU HD22 . 34318 1 663 . 1 1 59 59 LEU HD23 H 1 0.659 0.006 . 2 . . . . A 59 LEU HD23 . 34318 1 664 . 1 1 59 59 LEU C C 13 175.656 0.000 . 1 . . . . A 59 LEU C . 34318 1 665 . 1 1 59 59 LEU CA C 13 51.976 0.036 . 1 . . . . A 59 LEU CA . 34318 1 666 . 1 1 59 59 LEU CB C 13 45.997 0.027 . 1 . . . . A 59 LEU CB . 34318 1 667 . 1 1 59 59 LEU CG C 13 27.755 0.027 . 1 . . . . A 59 LEU CG . 34318 1 668 . 1 1 59 59 LEU CD1 C 13 24.309 0.029 . 2 . . . . A 59 LEU CD1 . 34318 1 669 . 1 1 59 59 LEU CD2 C 13 25.591 0.055 . 2 . . . . A 59 LEU CD2 . 34318 1 670 . 1 1 59 59 LEU N N 15 116.069 0.026 . 1 . . . . A 59 LEU N . 34318 1 671 . 1 1 60 60 LYS H H 1 9.129 0.003 . 1 . . . . A 60 LYS H . 34318 1 672 . 1 1 60 60 LYS HA H 1 4.633 0.006 . 1 . . . . A 60 LYS HA . 34318 1 673 . 1 1 60 60 LYS HB2 H 1 1.519 0.005 . 2 . . . . A 60 LYS HB2 . 34318 1 674 . 1 1 60 60 LYS HB3 H 1 1.709 0.003 . 2 . . . . A 60 LYS HB3 . 34318 1 675 . 1 1 60 60 LYS HG2 H 1 1.267 0.001 . 2 . . . . A 60 LYS HG2 . 34318 1 676 . 1 1 60 60 LYS HG3 H 1 1.333 0.001 . 2 . . . . A 60 LYS HG3 . 34318 1 677 . 1 1 60 60 LYS HD2 H 1 1.671 0.001 . 1 . . . . A 60 LYS HD2 . 34318 1 678 . 1 1 60 60 LYS HE2 H 1 2.969 0.001 . 1 . . . . A 60 LYS HE2 . 34318 1 679 . 1 1 60 60 LYS C C 13 174.966 0.000 . 1 . . . . A 60 LYS C . 34318 1 680 . 1 1 60 60 LYS CA C 13 54.356 0.026 . 1 . . . . A 60 LYS CA . 34318 1 681 . 1 1 60 60 LYS CB C 13 35.231 0.056 . 1 . . . . A 60 LYS CB . 34318 1 682 . 1 1 60 60 LYS CG C 13 24.928 0.000 . 1 . . . . A 60 LYS CG . 34318 1 683 . 1 1 60 60 LYS CD C 13 28.757 0.000 . 1 . . . . A 60 LYS CD . 34318 1 684 . 1 1 60 60 LYS CE C 13 41.757 0.000 . 1 . . . . A 60 LYS CE . 34318 1 685 . 1 1 60 60 LYS N N 15 118.566 0.028 . 1 . . . . A 60 LYS N . 34318 1 686 . 1 1 61 61 GLN H H 1 9.104 0.004 . 1 . . . . A 61 GLN H . 34318 1 687 . 1 1 61 61 GLN HA H 1 4.824 0.003 . 1 . . . . A 61 GLN HA . 34318 1 688 . 1 1 61 61 GLN HB2 H 1 1.996 0.002 . 2 . . . . A 61 GLN HB2 . 34318 1 689 . 1 1 61 61 GLN HB3 H 1 1.841 0.004 . 2 . . . . A 61 GLN HB3 . 34318 1 690 . 1 1 61 61 GLN HG2 H 1 2.072 0.001 . 2 . . . . A 61 GLN HG2 . 34318 1 691 . 1 1 61 61 GLN HG3 H 1 1.755 0.001 . 2 . . . . A 61 GLN HG3 . 34318 1 692 . 1 1 61 61 GLN HE21 H 1 7.201 0.004 . 1 . . . . A 61 GLN HE21 . 34318 1 693 . 1 1 61 61 GLN HE22 H 1 6.858 0.005 . 1 . . . . A 61 GLN HE22 . 34318 1 694 . 1 1 61 61 GLN C C 13 175.959 0.000 . 1 . . . . A 61 GLN C . 34318 1 695 . 1 1 61 61 GLN CA C 13 54.439 0.059 . 1 . . . . A 61 GLN CA . 34318 1 696 . 1 1 61 61 GLN CB C 13 30.651 0.023 . 1 . . . . A 61 GLN CB . 34318 1 697 . 1 1 61 61 GLN CG C 13 33.665 0.000 . 1 . . . . A 61 GLN CG . 34318 1 698 . 1 1 61 61 GLN N N 15 125.524 0.025 . 1 . . . . A 61 GLN N . 34318 1 699 . 1 1 61 61 GLN NE2 N 15 111.521 0.087 . 1 . . . . A 61 GLN NE2 . 34318 1 700 . 1 1 62 62 THR H H 1 8.671 0.005 . 1 . . . . A 62 THR H . 34318 1 701 . 1 1 62 62 THR HA H 1 4.341 0.002 . 1 . . . . A 62 THR HA . 34318 1 702 . 1 1 62 62 THR HB H 1 4.093 0.011 . 1 . . . . A 62 THR HB . 34318 1 703 . 1 1 62 62 THR HG21 H 1 1.052 0.004 . 1 . . . . A 62 THR HG21 . 34318 1 704 . 1 1 62 62 THR HG22 H 1 1.052 0.004 . 1 . . . . A 62 THR HG22 . 34318 1 705 . 1 1 62 62 THR HG23 H 1 1.052 0.004 . 1 . . . . A 62 THR HG23 . 34318 1 706 . 1 1 62 62 THR C C 13 174.046 0.000 . 1 . . . . A 62 THR C . 34318 1 707 . 1 1 62 62 THR CA C 13 61.386 0.041 . 1 . . . . A 62 THR CA . 34318 1 708 . 1 1 62 62 THR CB C 13 69.893 0.068 . 1 . . . . A 62 THR CB . 34318 1 709 . 1 1 62 62 THR CG2 C 13 21.941 0.018 . 1 . . . . A 62 THR CG2 . 34318 1 710 . 1 1 62 62 THR N N 15 120.886 0.004 . 1 . . . . A 62 THR N . 34318 1 711 . 1 1 63 63 LYS H H 1 8.388 0.003 . 1 . . . . A 63 LYS H . 34318 1 712 . 1 1 63 63 LYS HA H 1 4.289 0.006 . 1 . . . . A 63 LYS HA . 34318 1 713 . 1 1 63 63 LYS HB2 H 1 1.826 0.003 . 2 . . . . A 63 LYS HB2 . 34318 1 714 . 1 1 63 63 LYS HB3 H 1 1.741 0.004 . 2 . . . . A 63 LYS HB3 . 34318 1 715 . 1 1 63 63 LYS HG2 H 1 1.392 0.011 . 2 . . . . A 63 LYS HG2 . 34318 1 716 . 1 1 63 63 LYS HG3 H 1 1.374 0.001 . 2 . . . . A 63 LYS HG3 . 34318 1 717 . 1 1 63 63 LYS HD2 H 1 1.647 0.001 . 1 . . . . A 63 LYS HD2 . 34318 1 718 . 1 1 63 63 LYS HE2 H 1 2.963 0.001 . 1 . . . . A 63 LYS HE2 . 34318 1 719 . 1 1 63 63 LYS C C 13 176.465 0.000 . 1 . . . . A 63 LYS C . 34318 1 720 . 1 1 63 63 LYS CA C 13 56.754 0.042 . 1 . . . . A 63 LYS CA . 34318 1 721 . 1 1 63 63 LYS CB C 13 33.370 0.054 . 1 . . . . A 63 LYS CB . 34318 1 722 . 1 1 63 63 LYS CG C 13 24.914 0.047 . 1 . . . . A 63 LYS CG . 34318 1 723 . 1 1 63 63 LYS CD C 13 28.856 0.000 . 1 . . . . A 63 LYS CD . 34318 1 724 . 1 1 63 63 LYS CE C 13 42.337 0.012 . 1 . . . . A 63 LYS CE . 34318 1 725 . 1 1 63 63 LYS N N 15 123.013 0.006 . 1 . . . . A 63 LYS N . 34318 1 726 . 1 1 64 64 GLY H H 1 8.378 0.002 . 1 . . . . A 64 GLY H . 34318 1 727 . 1 1 64 64 GLY HA2 H 1 3.887 0.001 . 2 . . . . A 64 GLY HA2 . 34318 1 728 . 1 1 64 64 GLY HA3 H 1 4.004 0.000 . 2 . . . . A 64 GLY HA3 . 34318 1 729 . 1 1 64 64 GLY C C 13 173.338 0.000 . 1 . . . . A 64 GLY C . 34318 1 730 . 1 1 64 64 GLY CA C 13 44.816 0.003 . 1 . . . . A 64 GLY CA . 34318 1 731 . 1 1 64 64 GLY N N 15 110.717 0.015 . 1 . . . . A 64 GLY N . 34318 1 732 . 1 1 65 65 VAL H H 1 8.175 0.002 . 1 . . . . A 65 VAL H . 34318 1 733 . 1 1 65 65 VAL HA H 1 4.142 0.005 . 1 . . . . A 65 VAL HA . 34318 1 734 . 1 1 65 65 VAL HB H 1 2.037 0.004 . 1 . . . . A 65 VAL HB . 34318 1 735 . 1 1 65 65 VAL HG11 H 1 0.907 0.001 . 2 . . . . A 65 VAL HG11 . 34318 1 736 . 1 1 65 65 VAL HG12 H 1 0.907 0.001 . 2 . . . . A 65 VAL HG12 . 34318 1 737 . 1 1 65 65 VAL HG13 H 1 0.907 0.001 . 2 . . . . A 65 VAL HG13 . 34318 1 738 . 1 1 65 65 VAL HG21 H 1 0.930 0.001 . 2 . . . . A 65 VAL HG21 . 34318 1 739 . 1 1 65 65 VAL HG22 H 1 0.930 0.001 . 2 . . . . A 65 VAL HG22 . 34318 1 740 . 1 1 65 65 VAL HG23 H 1 0.930 0.001 . 2 . . . . A 65 VAL HG23 . 34318 1 741 . 1 1 65 65 VAL C C 13 177.204 0.000 . 1 . . . . A 65 VAL C . 34318 1 742 . 1 1 65 65 VAL CA C 13 62.267 0.037 . 1 . . . . A 65 VAL CA . 34318 1 743 . 1 1 65 65 VAL CB C 13 32.761 0.057 . 1 . . . . A 65 VAL CB . 34318 1 744 . 1 1 65 65 VAL CG2 C 13 20.539 0.000 . 1 . . . . A 65 VAL CG2 . 34318 1 745 . 1 1 65 65 VAL N N 15 119.373 0.024 . 1 . . . . A 65 VAL N . 34318 1 746 . 1 1 66 66 GLY H H 1 8.835 0.001 . 1 . . . . A 66 GLY H . 34318 1 747 . 1 1 66 66 GLY HA2 H 1 3.881 0.001 . 2 . . . . A 66 GLY HA2 . 34318 1 748 . 1 1 66 66 GLY HA3 H 1 4.001 0.000 . 2 . . . . A 66 GLY HA3 . 34318 1 749 . 1 1 66 66 GLY C C 13 174.679 0.000 . 1 . . . . A 66 GLY C . 34318 1 750 . 1 1 66 66 GLY CA C 13 45.906 0.023 . 1 . . . . A 66 GLY CA . 34318 1 751 . 1 1 66 66 GLY N N 15 114.676 0.015 . 1 . . . . A 66 GLY N . 34318 1 752 . 1 1 67 67 ALA H H 1 8.582 0.001 . 1 . . . . A 67 ALA H . 34318 1 753 . 1 1 67 67 ALA HA H 1 4.074 0.001 . 1 . . . . A 67 ALA HA . 34318 1 754 . 1 1 67 67 ALA HB1 H 1 1.325 0.001 . 1 . . . . A 67 ALA HB1 . 34318 1 755 . 1 1 67 67 ALA HB2 H 1 1.325 0.001 . 1 . . . . A 67 ALA HB2 . 34318 1 756 . 1 1 67 67 ALA HB3 H 1 1.325 0.001 . 1 . . . . A 67 ALA HB3 . 34318 1 757 . 1 1 67 67 ALA C C 13 177.802 0.000 . 1 . . . . A 67 ALA C . 34318 1 758 . 1 1 67 67 ALA CA C 13 52.931 0.000 . 1 . . . . A 67 ALA CA . 34318 1 759 . 1 1 67 67 ALA CB C 13 19.099 0.000 . 1 . . . . A 67 ALA CB . 34318 1 760 . 1 1 67 67 ALA N N 15 125.272 0.015 . 1 . . . . A 67 ALA N . 34318 1 761 . 1 1 68 68 SER H H 1 8.120 0.002 . 1 . . . . A 68 SER H . 34318 1 762 . 1 1 68 68 SER HA H 1 4.559 0.003 . 1 . . . . A 68 SER HA . 34318 1 763 . 1 1 68 68 SER HB2 H 1 3.994 0.008 . 2 . . . . A 68 SER HB2 . 34318 1 764 . 1 1 68 68 SER HB3 H 1 4.023 0.001 . 2 . . . . A 68 SER HB3 . 34318 1 765 . 1 1 68 68 SER C C 13 174.548 0.000 . 1 . . . . A 68 SER C . 34318 1 766 . 1 1 68 68 SER CA C 13 58.532 0.038 . 1 . . . . A 68 SER CA . 34318 1 767 . 1 1 68 68 SER CB C 13 64.099 0.000 . 1 . . . . A 68 SER CB . 34318 1 768 . 1 1 68 68 SER N N 15 113.552 0.012 . 1 . . . . A 68 SER N . 34318 1 769 . 1 1 69 69 GLY H H 1 8.177 0.003 . 1 . . . . A 69 GLY H . 34318 1 770 . 1 1 69 69 GLY HA2 H 1 3.819 0.001 . 2 . . . . A 69 GLY HA2 . 34318 1 771 . 1 1 69 69 GLY HA3 H 1 3.932 0.001 . 2 . . . . A 69 GLY HA3 . 34318 1 772 . 1 1 69 69 GLY C C 13 173.004 0.000 . 1 . . . . A 69 GLY C . 34318 1 773 . 1 1 69 69 GLY CA C 13 45.236 0.018 . 1 . . . . A 69 GLY CA . 34318 1 774 . 1 1 69 69 GLY N N 15 110.189 0.016 . 1 . . . . A 69 GLY N . 34318 1 775 . 1 1 70 70 SER H H 1 7.871 0.003 . 1 . . . . A 70 SER H . 34318 1 776 . 1 1 70 70 SER HA H 1 4.677 0.001 . 1 . . . . A 70 SER HA . 34318 1 777 . 1 1 70 70 SER HB2 H 1 3.394 0.004 . 2 . . . . A 70 SER HB2 . 34318 1 778 . 1 1 70 70 SER HB3 H 1 3.382 0.002 . 2 . . . . A 70 SER HB3 . 34318 1 779 . 1 1 70 70 SER C C 13 172.635 0.000 . 1 . . . . A 70 SER C . 34318 1 780 . 1 1 70 70 SER CA C 13 57.082 0.046 . 1 . . . . A 70 SER CA . 34318 1 781 . 1 1 70 70 SER CB C 13 65.265 0.089 . 1 . . . . A 70 SER CB . 34318 1 782 . 1 1 70 70 SER N N 15 115.932 0.008 . 1 . . . . A 70 SER N . 34318 1 783 . 1 1 71 71 PHE H H 1 8.861 0.004 . 1 . . . . A 71 PHE H . 34318 1 784 . 1 1 71 71 PHE HA H 1 5.320 0.008 . 1 . . . . A 71 PHE HA . 34318 1 785 . 1 1 71 71 PHE HB2 H 1 2.772 0.007 . 2 . . . . A 71 PHE HB2 . 34318 1 786 . 1 1 71 71 PHE HB3 H 1 2.655 0.001 . 2 . . . . A 71 PHE HB3 . 34318 1 787 . 1 1 71 71 PHE HD1 H 1 6.955 0.001 . 1 . . . . A 71 PHE HD1 . 34318 1 788 . 1 1 71 71 PHE HD2 H 1 6.955 0.001 . 1 . . . . A 71 PHE HD2 . 34318 1 789 . 1 1 71 71 PHE HE1 H 1 7.142 0.000 . 1 . . . . A 71 PHE HE1 . 34318 1 790 . 1 1 71 71 PHE HE2 H 1 7.142 0.000 . 1 . . . . A 71 PHE HE2 . 34318 1 791 . 1 1 71 71 PHE C C 13 174.362 0.000 . 1 . . . . A 71 PHE C . 34318 1 792 . 1 1 71 71 PHE CA C 13 57.759 0.031 . 1 . . . . A 71 PHE CA . 34318 1 793 . 1 1 71 71 PHE CB C 13 43.249 0.010 . 1 . . . . A 71 PHE CB . 34318 1 794 . 1 1 71 71 PHE CD1 C 13 131.240 0.012 . 1 . . . . A 71 PHE CD1 . 34318 1 795 . 1 1 71 71 PHE CD2 C 13 131.240 0.012 . 1 . . . . A 71 PHE CD2 . 34318 1 796 . 1 1 71 71 PHE CE1 C 13 131.156 0.000 . 1 . . . . A 71 PHE CE1 . 34318 1 797 . 1 1 71 71 PHE CE2 C 13 131.156 0.000 . 1 . . . . A 71 PHE CE2 . 34318 1 798 . 1 1 71 71 PHE N N 15 119.209 0.012 . 1 . . . . A 71 PHE N . 34318 1 799 . 1 1 72 72 ARG H H 1 8.783 0.003 . 1 . . . . A 72 ARG H . 34318 1 800 . 1 1 72 72 ARG HA H 1 4.172 0.001 . 1 . . . . A 72 ARG HA . 34318 1 801 . 1 1 72 72 ARG HB2 H 1 1.820 0.000 . 2 . . . . A 72 ARG HB2 . 34318 1 802 . 1 1 72 72 ARG HB3 H 1 1.696 0.011 . 2 . . . . A 72 ARG HB3 . 34318 1 803 . 1 1 72 72 ARG HG2 H 1 1.378 0.005 . 2 . . . . A 72 ARG HG2 . 34318 1 804 . 1 1 72 72 ARG HG3 H 1 1.560 0.003 . 2 . . . . A 72 ARG HG3 . 34318 1 805 . 1 1 72 72 ARG HD2 H 1 3.091 0.006 . 2 . . . . A 72 ARG HD2 . 34318 1 806 . 1 1 72 72 ARG HD3 H 1 3.052 0.011 . 2 . . . . A 72 ARG HD3 . 34318 1 807 . 1 1 72 72 ARG C C 13 175.395 0.000 . 1 . . . . A 72 ARG C . 34318 1 808 . 1 1 72 72 ARG CA C 13 53.470 0.012 . 1 . . . . A 72 ARG CA . 34318 1 809 . 1 1 72 72 ARG CB C 13 34.529 0.000 . 1 . . . . A 72 ARG CB . 34318 1 810 . 1 1 72 72 ARG CG C 13 27.117 0.071 . 1 . . . . A 72 ARG CG . 34318 1 811 . 1 1 72 72 ARG CD C 13 43.534 0.059 . 1 . . . . A 72 ARG CD . 34318 1 812 . 1 1 72 72 ARG N N 15 118.360 0.017 . 1 . . . . A 72 ARG N . 34318 1 813 . 1 1 73 73 LEU H H 1 8.962 0.003 . 1 . . . . A 73 LEU H . 34318 1 814 . 1 1 73 73 LEU HA H 1 4.521 0.005 . 1 . . . . A 73 LEU HA . 34318 1 815 . 1 1 73 73 LEU HB2 H 1 1.708 0.002 . 1 . . . . A 73 LEU HB2 . 34318 1 816 . 1 1 73 73 LEU HG H 1 1.759 0.006 . 1 . . . . A 73 LEU HG . 34318 1 817 . 1 1 73 73 LEU HD11 H 1 0.946 0.004 . 2 . . . . A 73 LEU HD11 . 34318 1 818 . 1 1 73 73 LEU HD12 H 1 0.946 0.004 . 2 . . . . A 73 LEU HD12 . 34318 1 819 . 1 1 73 73 LEU HD13 H 1 0.946 0.004 . 2 . . . . A 73 LEU HD13 . 34318 1 820 . 1 1 73 73 LEU HD21 H 1 1.010 0.003 . 2 . . . . A 73 LEU HD21 . 34318 1 821 . 1 1 73 73 LEU HD22 H 1 1.010 0.003 . 2 . . . . A 73 LEU HD22 . 34318 1 822 . 1 1 73 73 LEU HD23 H 1 1.010 0.003 . 2 . . . . A 73 LEU HD23 . 34318 1 823 . 1 1 73 73 LEU C C 13 177.899 0.000 . 1 . . . . A 73 LEU C . 34318 1 824 . 1 1 73 73 LEU CA C 13 55.886 0.032 . 1 . . . . A 73 LEU CA . 34318 1 825 . 1 1 73 73 LEU CB C 13 41.403 0.035 . 1 . . . . A 73 LEU CB . 34318 1 826 . 1 1 73 73 LEU CG C 13 27.939 0.040 . 1 . . . . A 73 LEU CG . 34318 1 827 . 1 1 73 73 LEU CD1 C 13 24.150 0.070 . 2 . . . . A 73 LEU CD1 . 34318 1 828 . 1 1 73 73 LEU CD2 C 13 25.474 0.048 . 2 . . . . A 73 LEU CD2 . 34318 1 829 . 1 1 73 73 LEU N N 15 121.921 0.039 . 1 . . . . A 73 LEU N . 34318 1 830 . 1 1 74 74 ALA H H 1 8.237 0.004 . 1 . . . . A 74 ALA H . 34318 1 831 . 1 1 74 74 ALA HA H 1 4.073 0.009 . 1 . . . . A 74 ALA HA . 34318 1 832 . 1 1 74 74 ALA HB1 H 1 1.326 0.004 . 1 . . . . A 74 ALA HB1 . 34318 1 833 . 1 1 74 74 ALA HB2 H 1 1.326 0.004 . 1 . . . . A 74 ALA HB2 . 34318 1 834 . 1 1 74 74 ALA HB3 H 1 1.326 0.004 . 1 . . . . A 74 ALA HB3 . 34318 1 835 . 1 1 74 74 ALA C C 13 176.501 0.000 . 1 . . . . A 74 ALA C . 34318 1 836 . 1 1 74 74 ALA CA C 13 53.360 0.022 . 1 . . . . A 74 ALA CA . 34318 1 837 . 1 1 74 74 ALA CB C 13 19.607 0.031 . 1 . . . . A 74 ALA CB . 34318 1 838 . 1 1 74 74 ALA N N 15 125.291 0.011 . 1 . . . . A 74 ALA N . 34318 1 839 . 1 1 75 75 LYS H H 1 7.829 0.002 . 1 . . . . A 75 LYS H . 34318 1 840 . 1 1 75 75 LYS HA H 1 4.173 0.004 . 1 . . . . A 75 LYS HA . 34318 1 841 . 1 1 75 75 LYS HB2 H 1 1.818 0.006 . 2 . . . . A 75 LYS HB2 . 34318 1 842 . 1 1 75 75 LYS HB3 H 1 1.730 0.026 . 2 . . . . A 75 LYS HB3 . 34318 1 843 . 1 1 75 75 LYS HG2 H 1 1.391 0.005 . 2 . . . . A 75 LYS HG2 . 34318 1 844 . 1 1 75 75 LYS HG3 H 1 1.370 0.004 . 2 . . . . A 75 LYS HG3 . 34318 1 845 . 1 1 75 75 LYS HD2 H 1 1.673 0.002 . 1 . . . . A 75 LYS HD2 . 34318 1 846 . 1 1 75 75 LYS HE2 H 1 2.983 0.001 . 1 . . . . A 75 LYS HE2 . 34318 1 847 . 1 1 75 75 LYS CA C 13 57.461 0.037 . 1 . . . . A 75 LYS CA . 34318 1 848 . 1 1 75 75 LYS CB C 13 34.135 0.005 . 1 . . . . A 75 LYS CB . 34318 1 849 . 1 1 75 75 LYS CG C 13 24.619 0.000 . 1 . . . . A 75 LYS CG . 34318 1 850 . 1 1 75 75 LYS CD C 13 29.347 0.011 . 1 . . . . A 75 LYS CD . 34318 1 851 . 1 1 75 75 LYS CE C 13 41.757 0.000 . 1 . . . . A 75 LYS CE . 34318 1 852 . 1 1 75 75 LYS N N 15 124.126 0.011 . 1 . . . . A 75 LYS N . 34318 1 stop_ save_