data_27581 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27581 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the Sushi 1 domain of GABAbR1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-21 _Entry.Accession_date 2018-08-21 _Entry.Last_release_date 2018-08-22 _Entry.Original_release_date 2018-08-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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_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 Alexander Volkov . . . . 27581 2 Heather Rice . . . . 27581 3 Inge 'Van Molle' . . . . 27581 4 Bart 'De Strooper' . . . . 27581 5 Joris 'de Wit' . . . . 27581 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27581 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 27581 '15N chemical shifts' 73 27581 '1H chemical shifts' 515 27581 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 . . 2019-01-15 . original BMRB . 27581 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27581 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.aao4827 _Citation.PubMed_ID 30630900 _Citation.Full_citation . _Citation.Title ; Secreted amyloid-beta precursor protein functions as a GABA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 363 _Citation.Journal_issue 6423 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4827 _Citation.Page_last 4827 _Citation.Year 2019 _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 Heather Rice H. C. . . 27581 1 2 Daniel 'de Malmazet' D. . . . 27581 1 3 An Schreurs A. . . . 27581 1 4 Samuel Frere S. . . . 27581 1 5 Inge 'Van Molle' I. . . . 27581 1 6 Alexander Volkov A. N. . . 27581 1 7 Eline Creemers E. . . . 27581 1 8 Irena Vertkin I. . . . 27581 1 9 Julie Nys J. . . . 27581 1 10 Fanomezana Ranaivoson F. M. . . 27581 1 11 Davide Comoletti D. . . . 27581 1 12 Jeffrey Savas J. N. . . 27581 1 13 Han Remaut H. . . . 27581 1 14 Detlef Balschun D. . . . 27581 1 15 Keimpe Wierda K. D. . . 27581 1 16 Inna Slutsky I. . . . 27581 1 17 Karl Farrow K. . . . 27581 1 18 Bart 'De Strooper' B. . . . 27581 1 19 Joris 'de Wit' J. . . . 27581 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27581 _Assembly.ID 1 _Assembly.Name Sushi1-APPP _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 Sushi1 1 $Sushi1 A . yes native no no . . . 27581 1 2 APPP 2 $APPP B . no native no no . . . 27581 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . . . 27581 1 2 disulfide single . 1 . 1 CYS 44 44 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 27581 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sushi1 _Entity.Sf_category entity _Entity.Sf_framecode Sushi1 _Entity.Entry_ID 27581 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sushi1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTSEGCQIIHPPWEGGIRY RGLTRDQVKAINFLPVDYEI EYVCRGEREVVGPKVRKCLA NGSWTDMDTPSRCVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27581 1 2 . PRO . 27581 1 3 . THR . 27581 1 4 . SER . 27581 1 5 . GLU . 27581 1 6 . GLY . 27581 1 7 . CYS . 27581 1 8 . GLN . 27581 1 9 . ILE . 27581 1 10 . ILE . 27581 1 11 . HIS . 27581 1 12 . PRO . 27581 1 13 . PRO . 27581 1 14 . TRP . 27581 1 15 . GLU . 27581 1 16 . GLY . 27581 1 17 . GLY . 27581 1 18 . ILE . 27581 1 19 . ARG . 27581 1 20 . TYR . 27581 1 21 . ARG . 27581 1 22 . GLY . 27581 1 23 . LEU . 27581 1 24 . THR . 27581 1 25 . ARG . 27581 1 26 . ASP . 27581 1 27 . GLN . 27581 1 28 . VAL . 27581 1 29 . LYS . 27581 1 30 . ALA . 27581 1 31 . ILE . 27581 1 32 . ASN . 27581 1 33 . PHE . 27581 1 34 . LEU . 27581 1 35 . PRO . 27581 1 36 . VAL . 27581 1 37 . ASP . 27581 1 38 . TYR . 27581 1 39 . GLU . 27581 1 40 . ILE . 27581 1 41 . GLU . 27581 1 42 . TYR . 27581 1 43 . VAL . 27581 1 44 . CYS . 27581 1 45 . ARG . 27581 1 46 . GLY . 27581 1 47 . GLU . 27581 1 48 . ARG . 27581 1 49 . GLU . 27581 1 50 . VAL . 27581 1 51 . VAL . 27581 1 52 . GLY . 27581 1 53 . PRO . 27581 1 54 . LYS . 27581 1 55 . VAL . 27581 1 56 . ARG . 27581 1 57 . LYS . 27581 1 58 . CYS . 27581 1 59 . LEU . 27581 1 60 . ALA . 27581 1 61 . ASN . 27581 1 62 . GLY . 27581 1 63 . SER . 27581 1 64 . TRP . 27581 1 65 . THR . 27581 1 66 . ASP . 27581 1 67 . MET . 27581 1 68 . ASP . 27581 1 69 . THR . 27581 1 70 . PRO . 27581 1 71 . SER . 27581 1 72 . ARG . 27581 1 73 . CYS . 27581 1 74 . VAL . 27581 1 75 . ARG . 27581 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 27581 1 . PRO 2 2 27581 1 . THR 3 3 27581 1 . SER 4 4 27581 1 . GLU 5 5 27581 1 . GLY 6 6 27581 1 . CYS 7 7 27581 1 . GLN 8 8 27581 1 . ILE 9 9 27581 1 . ILE 10 10 27581 1 . HIS 11 11 27581 1 . PRO 12 12 27581 1 . PRO 13 13 27581 1 . TRP 14 14 27581 1 . GLU 15 15 27581 1 . GLY 16 16 27581 1 . GLY 17 17 27581 1 . ILE 18 18 27581 1 . ARG 19 19 27581 1 . TYR 20 20 27581 1 . ARG 21 21 27581 1 . GLY 22 22 27581 1 . LEU 23 23 27581 1 . THR 24 24 27581 1 . ARG 25 25 27581 1 . ASP 26 26 27581 1 . GLN 27 27 27581 1 . VAL 28 28 27581 1 . LYS 29 29 27581 1 . ALA 30 30 27581 1 . ILE 31 31 27581 1 . ASN 32 32 27581 1 . PHE 33 33 27581 1 . LEU 34 34 27581 1 . PRO 35 35 27581 1 . VAL 36 36 27581 1 . ASP 37 37 27581 1 . TYR 38 38 27581 1 . GLU 39 39 27581 1 . ILE 40 40 27581 1 . GLU 41 41 27581 1 . TYR 42 42 27581 1 . VAL 43 43 27581 1 . CYS 44 44 27581 1 . ARG 45 45 27581 1 . GLY 46 46 27581 1 . GLU 47 47 27581 1 . ARG 48 48 27581 1 . GLU 49 49 27581 1 . VAL 50 50 27581 1 . VAL 51 51 27581 1 . GLY 52 52 27581 1 . PRO 53 53 27581 1 . LYS 54 54 27581 1 . VAL 55 55 27581 1 . ARG 56 56 27581 1 . LYS 57 57 27581 1 . CYS 58 58 27581 1 . LEU 59 59 27581 1 . ALA 60 60 27581 1 . ASN 61 61 27581 1 . GLY 62 62 27581 1 . SER 63 63 27581 1 . TRP 64 64 27581 1 . THR 65 65 27581 1 . ASP 66 66 27581 1 . MET 67 67 27581 1 . ASP 68 68 27581 1 . THR 69 69 27581 1 . PRO 70 70 27581 1 . SER 71 71 27581 1 . ARG 72 72 27581 1 . CYS 73 73 27581 1 . VAL 74 74 27581 1 . ARG 75 75 27581 1 stop_ save_ save_APPP _Entity.Sf_category entity _Entity.Sf_framecode APPP _Entity.Entry_ID 27581 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name APPP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDSDVWWGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 27581 2 2 . ASP . 27581 2 3 . SER . 27581 2 4 . ASP . 27581 2 5 . VAL . 27581 2 6 . TRP . 27581 2 7 . TRP . 27581 2 8 . GLY . 27581 2 9 . GLY . 27581 2 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 . ASP 1 1 27581 2 . ASP 2 2 27581 2 . SER 3 3 27581 2 . ASP 4 4 27581 2 . VAL 5 5 27581 2 . TRP 6 6 27581 2 . TRP 7 7 27581 2 . GLY 8 8 27581 2 . GLY 9 9 27581 2 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 27581 _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 $Sushi1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27581 1 2 2 $APPP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27581 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 27581 _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 $Sushi1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET24-6 His-SUMO' . . . 27581 1 2 2 $APPP . 'chemical synthesis' . . . . . . . . . . . . . . . . 27581 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27581 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Sushi1 '[U-13C; U-15N]' . . 1 $Sushi1 . . 1 . . mM . . . . 27581 1 2 APP 'natural abundance' . . 2 $APPP . . 3 . . mM . . . . 27581 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27581 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27581 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27581 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27581 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27581 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27581 1 pH 6.0 . pH 27581 1 pressure 1 . atm 27581 1 temperature 298 . K 27581 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27581 _Software.ID 1 _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' . . 27581 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27581 1 processing 27581 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27581 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27581 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27581 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27581 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27581 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27581 3 'data analysis' 27581 3 'peak picking' 27581 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27581 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27581 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27581 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 27581 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27581 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27581 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27581 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27581 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27581 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27581 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27581 1 2 '3D HNCACB' . . . 27581 1 3 '3D HN(CO)CACB' . . . 27581 1 4 '3D HNCO' . . . 27581 1 5 '3D HN(CA)CO' . . . 27581 1 6 '3D HBHA(CO)NH' . . . 27581 1 7 '3D C(CO)NH' . . . 27581 1 8 '3D HCCH-TOCSY' . . . 27581 1 9 '2D 1H-13C HSQC' . . . 27581 1 10 '2D 1H-13C HSQC aromatic' . . . 27581 1 11 '3D 1H-15N NOESY' . . . 27581 1 12 '3D 1H-13C NOESY aliphatic' . . . 27581 1 13 '3D 1H-13C NOESY aromatic' . . . 27581 1 14 '2D (HB)CB(CGCD)HD' . . . 27581 1 15 '2D (HB)CB(CGCDCE)HE' . . . 27581 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 3.91047 0.04 . 1 . . . . . 1 GLY HA2 . 27581 1 2 . 1 1 1 1 GLY HA3 H 1 3.91047 0.04 . 1 . . . . . 1 GLY HA3 . 27581 1 3 . 1 1 1 1 GLY CA C 13 43.30735 0.4 . 1 . . . . . 1 GLY CA . 27581 1 4 . 1 1 2 2 PRO HA H 1 4.45398 0.04 . 1 . . . . . 2 PRO HA . 27581 1 5 . 1 1 2 2 PRO HB2 H 1 1.89418 0.04 . 2 . . . . . 2 PRO HB2 . 27581 1 6 . 1 1 2 2 PRO HB3 H 1 2.23336 0.04 . 2 . . . . . 2 PRO HB3 . 27581 1 7 . 1 1 2 2 PRO HG2 H 1 1.93417 0.04 . 1 . . . . . 2 PRO HG2 . 27581 1 8 . 1 1 2 2 PRO HG3 H 1 1.93417 0.04 . 1 . . . . . 2 PRO HG3 . 27581 1 9 . 1 1 2 2 PRO HD2 H 1 3.47532 0.04 . 2 . . . . . 2 PRO HD2 . 27581 1 10 . 1 1 2 2 PRO HD3 H 1 3.51855 0.04 . 2 . . . . . 2 PRO HD3 . 27581 1 11 . 1 1 2 2 PRO C C 13 177.02649 0.4 . 1 . . . . . 2 PRO C . 27581 1 12 . 1 1 2 2 PRO CA C 13 63.16974 0.4 . 1 . . . . . 2 PRO CA . 27581 1 13 . 1 1 2 2 PRO CB C 13 32.2644 0.4 . 1 . . . . . 2 PRO CB . 27581 1 14 . 1 1 2 2 PRO CG C 13 26.97635 0.4 . 1 . . . . . 2 PRO CG . 27581 1 15 . 1 1 2 2 PRO CD C 13 49.60704 0.4 . 1 . . . . . 2 PRO CD . 27581 1 16 . 1 1 3 3 THR H H 1 8.24344 0.04 . 1 . . . . . 3 THR H . 27581 1 17 . 1 1 3 3 THR HA H 1 4.2682 0.04 . 1 . . . . . 3 THR HA . 27581 1 18 . 1 1 3 3 THR HB H 1 4.11491 0.04 . 1 . . . . . 3 THR HB . 27581 1 19 . 1 1 3 3 THR HG21 H 1 1.11006 0.04 . 1 . . . . . 3 THR HG2* . 27581 1 20 . 1 1 3 3 THR HG22 H 1 1.11006 0.04 . 1 . . . . . 3 THR HG2* . 27581 1 21 . 1 1 3 3 THR HG23 H 1 1.11006 0.04 . 1 . . . . . 3 THR HG2* . 27581 1 22 . 1 1 3 3 THR C C 13 174.22451 0.4 . 1 . . . . . 3 THR C . 27581 1 23 . 1 1 3 3 THR CA C 13 61.75331 0.4 . 1 . . . . . 3 THR CA . 27581 1 24 . 1 1 3 3 THR CB C 13 69.77046 0.4 . 1 . . . . . 3 THR CB . 27581 1 25 . 1 1 3 3 THR CG2 C 13 21.56773 0.4 . 1 . . . . . 3 THR CG2 . 27581 1 26 . 1 1 3 3 THR N N 15 114.29711 0.2 . 1 . . . . . 3 THR N . 27581 1 27 . 1 1 4 4 SER H H 1 8.09244 0.04 . 1 . . . . . 4 SER H . 27581 1 28 . 1 1 4 4 SER HA H 1 4.25407 0.04 . 1 . . . . . 4 SER HA . 27581 1 29 . 1 1 4 4 SER HB2 H 1 3.50818 0.04 . 2 . . . . . 4 SER HB2 . 27581 1 30 . 1 1 4 4 SER HB3 H 1 3.56734 0.04 . 2 . . . . . 4 SER HB3 . 27581 1 31 . 1 1 4 4 SER C C 13 173.90722 0.4 . 1 . . . . . 4 SER C . 27581 1 32 . 1 1 4 4 SER CA C 13 57.96412 0.4 . 1 . . . . . 4 SER CA . 27581 1 33 . 1 1 4 4 SER CB C 13 63.85548 0.4 . 1 . . . . . 4 SER CB . 27581 1 34 . 1 1 4 4 SER N N 15 117.59769 0.2 . 1 . . . . . 4 SER N . 27581 1 35 . 1 1 5 5 GLU H H 1 8.11644 0.04 . 1 . . . . . 5 GLU H . 27581 1 36 . 1 1 5 5 GLU HA H 1 3.98073 0.04 . 1 . . . . . 5 GLU HA . 27581 1 37 . 1 1 5 5 GLU HB2 H 1 1.53465 0.04 . 2 . . . . . 5 GLU HB2 . 27581 1 38 . 1 1 5 5 GLU HB3 H 1 1.38094 0.04 . 2 . . . . . 5 GLU HB3 . 27581 1 39 . 1 1 5 5 GLU HG2 H 1 1.87667 0.04 . 1 . . . . . 5 GLU HG2 . 27581 1 40 . 1 1 5 5 GLU HG3 H 1 1.87667 0.04 . 1 . . . . . 5 GLU HG3 . 27581 1 41 . 1 1 5 5 GLU C C 13 175.3232 0.4 . 1 . . . . . 5 GLU C . 27581 1 42 . 1 1 5 5 GLU CA C 13 56.37059 0.4 . 1 . . . . . 5 GLU CA . 27581 1 43 . 1 1 5 5 GLU CB C 13 30.18628 0.4 . 1 . . . . . 5 GLU CB . 27581 1 44 . 1 1 5 5 GLU CG C 13 35.78177 0.4 . 1 . . . . . 5 GLU CG . 27581 1 45 . 1 1 5 5 GLU N N 15 122.54259 0.2 . 1 . . . . . 5 GLU N . 27581 1 46 . 1 1 6 6 GLY H H 1 7.6368 0.04 . 1 . . . . . 6 GLY H . 27581 1 47 . 1 1 6 6 GLY HA2 H 1 3.46944 0.04 . 2 . . . . . 6 GLY HA2 . 27581 1 48 . 1 1 6 6 GLY HA3 H 1 4.56265 0.04 . 2 . . . . . 6 GLY HA3 . 27581 1 49 . 1 1 6 6 GLY C C 13 172.90304 0.4 . 1 . . . . . 6 GLY C . 27581 1 50 . 1 1 6 6 GLY CA C 13 44.48558 0.4 . 1 . . . . . 6 GLY CA . 27581 1 51 . 1 1 6 6 GLY N N 15 107.17088 0.2 . 1 . . . . . 6 GLY N . 27581 1 52 . 1 1 7 7 CYS H H 1 8.87248 0.04 . 1 . . . . . 7 CYS H . 27581 1 53 . 1 1 7 7 CYS HA H 1 4.78397 0.04 . 1 . . . . . 7 CYS HA . 27581 1 54 . 1 1 7 7 CYS HB2 H 1 1.6406 0.04 . 2 . . . . . 7 CYS HB2 . 27581 1 55 . 1 1 7 7 CYS HB3 H 1 2.08417 0.04 . 2 . . . . . 7 CYS HB3 . 27581 1 56 . 1 1 7 7 CYS C C 13 174.64218 0.4 . 1 . . . . . 7 CYS C . 27581 1 57 . 1 1 7 7 CYS CA C 13 56.70848 0.4 . 1 . . . . . 7 CYS CA . 27581 1 58 . 1 1 7 7 CYS CB C 13 42.35938 0.4 . 1 . . . . . 7 CYS CB . 27581 1 59 . 1 1 7 7 CYS N N 15 116.70167 0.2 . 1 . . . . . 7 CYS N . 27581 1 60 . 1 1 8 8 GLN H H 1 9.03515 0.04 . 1 . . . . . 8 GLN H . 27581 1 61 . 1 1 8 8 GLN HA H 1 4.19912 0.04 . 1 . . . . . 8 GLN HA . 27581 1 62 . 1 1 8 8 GLN HB2 H 1 1.99351 0.04 . 2 . . . . . 8 GLN HB2 . 27581 1 63 . 1 1 8 8 GLN HB3 H 1 2.09198 0.04 . 2 . . . . . 8 GLN HB3 . 27581 1 64 . 1 1 8 8 GLN HG2 H 1 2.35878 0.04 . 2 . . . . . 8 GLN HG2 . 27581 1 65 . 1 1 8 8 GLN HG3 H 1 2.38714 0.04 . 2 . . . . . 8 GLN HG3 . 27581 1 66 . 1 1 8 8 GLN HE21 H 1 7.4855 0.04 . 2 . . . . . 8 GLN HE21 . 27581 1 67 . 1 1 8 8 GLN HE22 H 1 6.84592 0.04 . 2 . . . . . 8 GLN HE22 . 27581 1 68 . 1 1 8 8 GLN C C 13 175.97592 0.4 . 1 . . . . . 8 GLN C . 27581 1 69 . 1 1 8 8 GLN CA C 13 56.34641 0.4 . 1 . . . . . 8 GLN CA . 27581 1 70 . 1 1 8 8 GLN CB C 13 29.57095 0.4 . 1 . . . . . 8 GLN CB . 27581 1 71 . 1 1 8 8 GLN CG C 13 34.43017 0.4 . 1 . . . . . 8 GLN CG . 27581 1 72 . 1 1 8 8 GLN N N 15 123.20478 0.2 . 1 . . . . . 8 GLN N . 27581 1 73 . 1 1 8 8 GLN NE2 N 15 112.2548 0.2 . 1 . . . . . 8 GLN NE2 . 27581 1 74 . 1 1 9 9 ILE H H 1 7.77247 0.04 . 1 . . . . . 9 ILE H . 27581 1 75 . 1 1 9 9 ILE HA H 1 3.8846 0.04 . 1 . . . . . 9 ILE HA . 27581 1 76 . 1 1 9 9 ILE HB H 1 1.48096 0.04 . 1 . . . . . 9 ILE HB . 27581 1 77 . 1 1 9 9 ILE HG12 H 1 1.04689 0.04 . 2 . . . . . 9 ILE HG12 . 27581 1 78 . 1 1 9 9 ILE HG13 H 1 1.33448 0.04 . 2 . . . . . 9 ILE HG13 . 27581 1 79 . 1 1 9 9 ILE HG21 H 1 0.71879 0.04 . 1 . . . . . 9 ILE HG2* . 27581 1 80 . 1 1 9 9 ILE HG22 H 1 0.71879 0.04 . 1 . . . . . 9 ILE HG2* . 27581 1 81 . 1 1 9 9 ILE HG23 H 1 0.71879 0.04 . 1 . . . . . 9 ILE HG2* . 27581 1 82 . 1 1 9 9 ILE HD11 H 1 0.56437 0.04 . 1 . . . . . 9 ILE HD1* . 27581 1 83 . 1 1 9 9 ILE HD12 H 1 0.56437 0.04 . 1 . . . . . 9 ILE HD1* . 27581 1 84 . 1 1 9 9 ILE HD13 H 1 0.56437 0.04 . 1 . . . . . 9 ILE HD1* . 27581 1 85 . 1 1 9 9 ILE C C 13 174.75129 0.4 . 1 . . . . . 9 ILE C . 27581 1 86 . 1 1 9 9 ILE CA C 13 62.90831 0.4 . 1 . . . . . 9 ILE CA . 27581 1 87 . 1 1 9 9 ILE CB C 13 39.13094 0.4 . 1 . . . . . 9 ILE CB . 27581 1 88 . 1 1 9 9 ILE CG1 C 13 28.39694 0.4 . 1 . . . . . 9 ILE CG1 . 27581 1 89 . 1 1 9 9 ILE CG2 C 13 17.5631 0.4 . 1 . . . . . 9 ILE CG2 . 27581 1 90 . 1 1 9 9 ILE CD1 C 13 14.13396 0.4 . 1 . . . . . 9 ILE CD1 . 27581 1 91 . 1 1 9 9 ILE N N 15 120.84766 0.2 . 1 . . . . . 9 ILE N . 27581 1 92 . 1 1 10 10 ILE H H 1 7.24916 0.04 . 1 . . . . . 10 ILE H . 27581 1 93 . 1 1 10 10 ILE HA H 1 4.12526 0.04 . 1 . . . . . 10 ILE HA . 27581 1 94 . 1 1 10 10 ILE HB H 1 1.20255 0.04 . 1 . . . . . 10 ILE HB . 27581 1 95 . 1 1 10 10 ILE HG12 H 1 0.4857 0.04 . 2 . . . . . 10 ILE HG12 . 27581 1 96 . 1 1 10 10 ILE HG13 H 1 0.90721 0.04 . 2 . . . . . 10 ILE HG13 . 27581 1 97 . 1 1 10 10 ILE HG21 H 1 0.6305 0.04 . 1 . . . . . 10 ILE HG2* . 27581 1 98 . 1 1 10 10 ILE HG22 H 1 0.6305 0.04 . 1 . . . . . 10 ILE HG2* . 27581 1 99 . 1 1 10 10 ILE HG23 H 1 0.6305 0.04 . 1 . . . . . 10 ILE HG2* . 27581 1 100 . 1 1 10 10 ILE HD11 H 1 -0.17606 0.04 . 1 . . . . . 10 ILE HD1* . 27581 1 101 . 1 1 10 10 ILE HD12 H 1 -0.17606 0.04 . 1 . . . . . 10 ILE HD1* . 27581 1 102 . 1 1 10 10 ILE HD13 H 1 -0.17606 0.04 . 1 . . . . . 10 ILE HD1* . 27581 1 103 . 1 1 10 10 ILE C C 13 175.48269 0.4 . 1 . . . . . 10 ILE C . 27581 1 104 . 1 1 10 10 ILE CA C 13 59.74509 0.4 . 1 . . . . . 10 ILE CA . 27581 1 105 . 1 1 10 10 ILE CB C 13 39.8799 0.4 . 1 . . . . . 10 ILE CB . 27581 1 106 . 1 1 10 10 ILE CG1 C 13 26.60657 0.4 . 1 . . . . . 10 ILE CG1 . 27581 1 107 . 1 1 10 10 ILE CG2 C 13 17.43646 0.4 . 1 . . . . . 10 ILE CG2 . 27581 1 108 . 1 1 10 10 ILE CD1 C 13 11.91001 0.4 . 1 . . . . . 10 ILE CD1 . 27581 1 109 . 1 1 10 10 ILE N N 15 123.41785 0.2 . 1 . . . . . 10 ILE N . 27581 1 110 . 1 1 11 11 HIS H H 1 8.59824 0.04 . 1 . . . . . 11 HIS H . 27581 1 111 . 1 1 11 11 HIS HA H 1 4.0123 0.04 . 1 . . . . . 11 HIS HA . 27581 1 112 . 1 1 11 11 HIS HB2 H 1 2.92781 0.04 . 2 . . . . . 11 HIS HB2 . 27581 1 113 . 1 1 11 11 HIS HB3 H 1 2.90811 0.04 . 2 . . . . . 11 HIS HB3 . 27581 1 114 . 1 1 11 11 HIS HD2 H 1 7.13429 0.04 . 1 . . . . . 11 HIS HD2 . 27581 1 115 . 1 1 11 11 HIS C C 13 172.45671 0.4 . 1 . . . . . 11 HIS C . 27581 1 116 . 1 1 11 11 HIS CA C 13 53.67218 0.4 . 1 . . . . . 11 HIS CA . 27581 1 117 . 1 1 11 11 HIS CB C 13 27.99209 0.4 . 1 . . . . . 11 HIS CB . 27581 1 118 . 1 1 11 11 HIS CD2 C 13 119.48312 0.4 . 1 . . . . . 11 HIS CD2 . 27581 1 119 . 1 1 11 11 HIS N N 15 124.03055 0.2 . 1 . . . . . 11 HIS N . 27581 1 120 . 1 1 12 12 PRO HA H 1 4.50038 0.04 . 1 . . . . . 12 PRO HA . 27581 1 121 . 1 1 12 12 PRO HB2 H 1 2.08031 0.04 . 2 . . . . . 12 PRO HB2 . 27581 1 122 . 1 1 12 12 PRO HB3 H 1 2.31876 0.04 . 2 . . . . . 12 PRO HB3 . 27581 1 123 . 1 1 12 12 PRO HG2 H 1 1.7603 0.04 . 2 . . . . . 12 PRO HG2 . 27581 1 124 . 1 1 12 12 PRO HG3 H 1 1.88459 0.04 . 2 . . . . . 12 PRO HG3 . 27581 1 125 . 1 1 12 12 PRO HD2 H 1 3.55135 0.04 . 2 . . . . . 12 PRO HD2 . 27581 1 126 . 1 1 12 12 PRO HD3 H 1 3.48487 0.04 . 2 . . . . . 12 PRO HD3 . 27581 1 127 . 1 1 12 12 PRO CA C 13 62.49757 0.4 . 1 . . . . . 12 PRO CA . 27581 1 128 . 1 1 12 12 PRO CB C 13 34.66603 0.4 . 1 . . . . . 12 PRO CB . 27581 1 129 . 1 1 12 12 PRO CG C 13 24.6932 0.4 . 1 . . . . . 12 PRO CG . 27581 1 130 . 1 1 12 12 PRO CD C 13 50.27055 0.4 . 1 . . . . . 12 PRO CD . 27581 1 131 . 1 1 13 13 PRO HA H 1 4.5757 0.04 . 1 . . . . . 13 PRO HA . 27581 1 132 . 1 1 13 13 PRO HB2 H 1 1.94233 0.04 . 2 . . . . . 13 PRO HB2 . 27581 1 133 . 1 1 13 13 PRO HB3 H 1 2.32204 0.04 . 2 . . . . . 13 PRO HB3 . 27581 1 134 . 1 1 13 13 PRO HG2 H 1 1.87893 0.04 . 2 . . . . . 13 PRO HG2 . 27581 1 135 . 1 1 13 13 PRO HG3 H 1 1.7596 0.04 . 2 . . . . . 13 PRO HG3 . 27581 1 136 . 1 1 13 13 PRO HD2 H 1 3.21249 0.04 . 2 . . . . . 13 PRO HD2 . 27581 1 137 . 1 1 13 13 PRO HD3 H 1 3.61853 0.04 . 2 . . . . . 13 PRO HD3 . 27581 1 138 . 1 1 13 13 PRO C C 13 175.76623 0.4 . 1 . . . . . 13 PRO C . 27581 1 139 . 1 1 13 13 PRO CA C 13 61.92288 0.4 . 1 . . . . . 13 PRO CA . 27581 1 140 . 1 1 13 13 PRO CB C 13 32.10195 0.4 . 1 . . . . . 13 PRO CB . 27581 1 141 . 1 1 13 13 PRO CG C 13 26.94585 0.4 . 1 . . . . . 13 PRO CG . 27581 1 142 . 1 1 13 13 PRO CD C 13 50.20909 0.4 . 1 . . . . . 13 PRO CD . 27581 1 143 . 1 1 14 14 TRP H H 1 8.37436 0.04 . 1 . . . . . 14 TRP H . 27581 1 144 . 1 1 14 14 TRP HA H 1 4.26453 0.04 . 1 . . . . . 14 TRP HA . 27581 1 145 . 1 1 14 14 TRP HB2 H 1 3.07125 0.04 . 2 . . . . . 14 TRP HB2 . 27581 1 146 . 1 1 14 14 TRP HB3 H 1 3.24352 0.04 . 2 . . . . . 14 TRP HB3 . 27581 1 147 . 1 1 14 14 TRP HD1 H 1 7.15595 0.04 . 1 . . . . . 14 TRP HD1 . 27581 1 148 . 1 1 14 14 TRP HE1 H 1 10.088 0.04 . 1 . . . . . 14 TRP HE1 . 27581 1 149 . 1 1 14 14 TRP HE3 H 1 7.59613 0.04 . 1 . . . . . 14 TRP HE3 . 27581 1 150 . 1 1 14 14 TRP HZ2 H 1 7.42724 0.04 . 1 . . . . . 14 TRP HZ2 . 27581 1 151 . 1 1 14 14 TRP HZ3 H 1 7.10036 0.04 . 1 . . . . . 14 TRP HZ3 . 27581 1 152 . 1 1 14 14 TRP HH2 H 1 7.1715 0.04 . 1 . . . . . 14 TRP HH2 . 27581 1 153 . 1 1 14 14 TRP CA C 13 59.49312 0.4 . 1 . . . . . 14 TRP CA . 27581 1 154 . 1 1 14 14 TRP CB C 13 28.98513 0.4 . 1 . . . . . 14 TRP CB . 27581 1 155 . 1 1 14 14 TRP CD1 C 13 127.10708 0.4 . 1 . . . . . 14 TRP CD1 . 27581 1 156 . 1 1 14 14 TRP CE3 C 13 120.74324 0.4 . 1 . . . . . 14 TRP CE3 . 27581 1 157 . 1 1 14 14 TRP CZ2 C 13 114.83121 0.4 . 1 . . . . . 14 TRP CZ2 . 27581 1 158 . 1 1 14 14 TRP CZ3 C 13 122.03248 0.4 . 1 . . . . . 14 TRP CZ3 . 27581 1 159 . 1 1 14 14 TRP CH2 C 13 124.75186 0.4 . 1 . . . . . 14 TRP CH2 . 27581 1 160 . 1 1 14 14 TRP N N 15 121.81456 0.2 . 1 . . . . . 14 TRP N . 27581 1 161 . 1 1 14 14 TRP NE1 N 15 129.4812 0.2 . 1 . . . . . 14 TRP NE1 . 27581 1 162 . 1 1 15 15 GLU H H 1 8.42666 0.04 . 1 . . . . . 15 GLU H . 27581 1 163 . 1 1 15 15 GLU HA H 1 3.73728 0.04 . 1 . . . . . 15 GLU HA . 27581 1 164 . 1 1 15 15 GLU HB2 H 1 1.7163 0.04 . 2 . . . . . 15 GLU HB2 . 27581 1 165 . 1 1 15 15 GLU HB3 H 1 2.02322 0.04 . 2 . . . . . 15 GLU HB3 . 27581 1 166 . 1 1 15 15 GLU HG2 H 1 1.3297 0.04 . 2 . . . . . 15 GLU HG2 . 27581 1 167 . 1 1 15 15 GLU HG3 H 1 1.613 0.04 . 2 . . . . . 15 GLU HG3 . 27581 1 168 . 1 1 15 15 GLU C C 13 174.672 0.4 . 1 . . . . . 15 GLU C . 27581 1 169 . 1 1 15 15 GLU CA C 13 57.14844 0.4 . 1 . . . . . 15 GLU CA . 27581 1 170 . 1 1 15 15 GLU CB C 13 26.7034 0.4 . 1 . . . . . 15 GLU CB . 27581 1 171 . 1 1 15 15 GLU CG C 13 34.98854 0.4 . 1 . . . . . 15 GLU CG . 27581 1 172 . 1 1 15 15 GLU N N 15 117.90766 0.2 . 1 . . . . . 15 GLU N . 27581 1 173 . 1 1 16 16 GLY H H 1 7.85933 0.04 . 1 . . . . . 16 GLY H . 27581 1 174 . 1 1 16 16 GLY HA2 H 1 4.25001 0.04 . 2 . . . . . 16 GLY HA2 . 27581 1 175 . 1 1 16 16 GLY HA3 H 1 4.88819 0.04 . 2 . . . . . 16 GLY HA3 . 27581 1 176 . 1 1 16 16 GLY C C 13 171.94744 0.4 . 1 . . . . . 16 GLY C . 27581 1 177 . 1 1 16 16 GLY CA C 13 46.18793 0.4 . 1 . . . . . 16 GLY CA . 27581 1 178 . 1 1 16 16 GLY N N 15 104.82638 0.2 . 1 . . . . . 16 GLY N . 27581 1 179 . 1 1 17 17 GLY H H 1 8.98291 0.04 . 1 . . . . . 17 GLY H . 27581 1 180 . 1 1 17 17 GLY HA2 H 1 2.63142 0.04 . 2 . . . . . 17 GLY HA2 . 27581 1 181 . 1 1 17 17 GLY HA3 H 1 4.80388 0.04 . 2 . . . . . 17 GLY HA3 . 27581 1 182 . 1 1 17 17 GLY C C 13 170.82528 0.4 . 1 . . . . . 17 GLY C . 27581 1 183 . 1 1 17 17 GLY CA C 13 45.02823 0.4 . 1 . . . . . 17 GLY CA . 27581 1 184 . 1 1 17 17 GLY N N 15 109.04737 0.2 . 1 . . . . . 17 GLY N . 27581 1 185 . 1 1 18 18 ILE H H 1 7.95233 0.04 . 1 . . . . . 18 ILE H . 27581 1 186 . 1 1 18 18 ILE HA H 1 4.26933 0.04 . 1 . . . . . 18 ILE HA . 27581 1 187 . 1 1 18 18 ILE HB H 1 1.20575 0.04 . 1 . . . . . 18 ILE HB . 27581 1 188 . 1 1 18 18 ILE HG12 H 1 0.02625 0.04 . 2 . . . . . 18 ILE HG12 . 27581 1 189 . 1 1 18 18 ILE HG13 H 1 0.93863 0.04 . 2 . . . . . 18 ILE HG13 . 27581 1 190 . 1 1 18 18 ILE HG21 H 1 -0.18963 0.04 . 1 . . . . . 18 ILE HG2* . 27581 1 191 . 1 1 18 18 ILE HG22 H 1 -0.18963 0.04 . 1 . . . . . 18 ILE HG2* . 27581 1 192 . 1 1 18 18 ILE HG23 H 1 -0.18963 0.04 . 1 . . . . . 18 ILE HG2* . 27581 1 193 . 1 1 18 18 ILE HD11 H 1 0.16407 0.04 . 1 . . . . . 18 ILE HD1* . 27581 1 194 . 1 1 18 18 ILE HD12 H 1 0.16407 0.04 . 1 . . . . . 18 ILE HD1* . 27581 1 195 . 1 1 18 18 ILE HD13 H 1 0.16407 0.04 . 1 . . . . . 18 ILE HD1* . 27581 1 196 . 1 1 18 18 ILE C C 13 173.79974 0.4 . 1 . . . . . 18 ILE C . 27581 1 197 . 1 1 18 18 ILE CA C 13 59.59302 0.4 . 1 . . . . . 18 ILE CA . 27581 1 198 . 1 1 18 18 ILE CB C 13 41.74241 0.4 . 1 . . . . . 18 ILE CB . 27581 1 199 . 1 1 18 18 ILE CG1 C 13 28.16714 0.4 . 1 . . . . . 18 ILE CG1 . 27581 1 200 . 1 1 18 18 ILE CG2 C 13 18.57063 0.4 . 1 . . . . . 18 ILE CG2 . 27581 1 201 . 1 1 18 18 ILE CD1 C 13 13.91632 0.4 . 1 . . . . . 18 ILE CD1 . 27581 1 202 . 1 1 18 18 ILE N N 15 117.98894 0.2 . 1 . . . . . 18 ILE N . 27581 1 203 . 1 1 19 19 ARG H H 1 9.25823 0.04 . 1 . . . . . 19 ARG H . 27581 1 204 . 1 1 19 19 ARG HA H 1 4.41049 0.04 . 1 . . . . . 19 ARG HA . 27581 1 205 . 1 1 19 19 ARG HB2 H 1 1.60947 0.04 . 2 . . . . . 19 ARG HB2 . 27581 1 206 . 1 1 19 19 ARG HB3 H 1 1.19869 0.04 . 2 . . . . . 19 ARG HB3 . 27581 1 207 . 1 1 19 19 ARG HG2 H 1 1.03585 0.04 . 2 . . . . . 19 ARG HG2 . 27581 1 208 . 1 1 19 19 ARG HG3 H 1 1.28681 0.04 . 2 . . . . . 19 ARG HG3 . 27581 1 209 . 1 1 19 19 ARG HD2 H 1 2.82385 0.04 . 2 . . . . . 19 ARG HD2 . 27581 1 210 . 1 1 19 19 ARG HD3 H 1 3.15873 0.04 . 2 . . . . . 19 ARG HD3 . 27581 1 211 . 1 1 19 19 ARG C C 13 175.3523 0.4 . 1 . . . . . 19 ARG C . 27581 1 212 . 1 1 19 19 ARG CA C 13 55.49035 0.4 . 1 . . . . . 19 ARG CA . 27581 1 213 . 1 1 19 19 ARG CB C 13 31.61361 0.4 . 1 . . . . . 19 ARG CB . 27581 1 214 . 1 1 19 19 ARG CG C 13 27.31422 0.4 . 1 . . . . . 19 ARG CG . 27581 1 215 . 1 1 19 19 ARG CD C 13 42.96392 0.4 . 1 . . . . . 19 ARG CD . 27581 1 216 . 1 1 19 19 ARG N N 15 127.54848 0.2 . 1 . . . . . 19 ARG N . 27581 1 217 . 1 1 20 20 TYR H H 1 8.80605 0.04 . 1 . . . . . 20 TYR H . 27581 1 218 . 1 1 20 20 TYR HA H 1 4.79303 0.04 . 1 . . . . . 20 TYR HA . 27581 1 219 . 1 1 20 20 TYR HB2 H 1 2.73936 0.04 . 2 . . . . . 20 TYR HB2 . 27581 1 220 . 1 1 20 20 TYR HB3 H 1 2.97298 0.04 . 2 . . . . . 20 TYR HB3 . 27581 1 221 . 1 1 20 20 TYR HD1 H 1 7.09094 0.04 . 3 . . . . . 20 TYR HD* . 27581 1 222 . 1 1 20 20 TYR HD2 H 1 7.09094 0.04 . 3 . . . . . 20 TYR HD* . 27581 1 223 . 1 1 20 20 TYR HE1 H 1 6.54106 0.04 . 3 . . . . . 20 TYR HE* . 27581 1 224 . 1 1 20 20 TYR HE2 H 1 6.54106 0.04 . 3 . . . . . 20 TYR HE* . 27581 1 225 . 1 1 20 20 TYR C C 13 175.02386 0.4 . 1 . . . . . 20 TYR C . 27581 1 226 . 1 1 20 20 TYR CA C 13 57.85785 0.4 . 1 . . . . . 20 TYR CA . 27581 1 227 . 1 1 20 20 TYR CB C 13 38.74049 0.4 . 1 . . . . . 20 TYR CB . 27581 1 228 . 1 1 20 20 TYR CD1 C 13 133.23031 0.4 . 3 . . . . . 20 TYR CD* . 27581 1 229 . 1 1 20 20 TYR CD2 C 13 133.23031 0.4 . 3 . . . . . 20 TYR CD* . 27581 1 230 . 1 1 20 20 TYR CE1 C 13 117.91887 0.4 . 3 . . . . . 20 TYR CE* . 27581 1 231 . 1 1 20 20 TYR CE2 C 13 117.91887 0.4 . 3 . . . . . 20 TYR CE* . 27581 1 232 . 1 1 20 20 TYR N N 15 113.03679 0.2 . 1 . . . . . 20 TYR N . 27581 1 233 . 1 1 21 21 ARG H H 1 8.31524 0.04 . 1 . . . . . 21 ARG H . 27581 1 234 . 1 1 21 21 ARG HA H 1 4.13272 0.04 . 1 . . . . . 21 ARG HA . 27581 1 235 . 1 1 21 21 ARG HB2 H 1 1.64773 0.04 . 1 . . . . . 21 ARG HB2 . 27581 1 236 . 1 1 21 21 ARG HB3 H 1 1.64773 0.04 . 1 . . . . . 21 ARG HB3 . 27581 1 237 . 1 1 21 21 ARG HG2 H 1 1.50947 0.04 . 2 . . . . . 21 ARG HG2 . 27581 1 238 . 1 1 21 21 ARG HG3 H 1 1.53748 0.04 . 2 . . . . . 21 ARG HG3 . 27581 1 239 . 1 1 21 21 ARG HD2 H 1 3.08895 0.04 . 1 . . . . . 21 ARG HD2 . 27581 1 240 . 1 1 21 21 ARG HD3 H 1 3.08895 0.04 . 1 . . . . . 21 ARG HD3 . 27581 1 241 . 1 1 21 21 ARG C C 13 179.70956 0.4 . 1 . . . . . 21 ARG C . 27581 1 242 . 1 1 21 21 ARG CA C 13 58.13381 0.4 . 1 . . . . . 21 ARG CA . 27581 1 243 . 1 1 21 21 ARG CB C 13 30.22966 0.4 . 1 . . . . . 21 ARG CB . 27581 1 244 . 1 1 21 21 ARG CG C 13 27.93451 0.4 . 1 . . . . . 21 ARG CG . 27581 1 245 . 1 1 21 21 ARG CD C 13 43.30842 0.4 . 1 . . . . . 21 ARG CD . 27581 1 246 . 1 1 21 21 ARG N N 15 119.65474 0.2 . 1 . . . . . 21 ARG N . 27581 1 247 . 1 1 22 22 GLY H H 1 9.51458 0.04 . 1 . . . . . 22 GLY H . 27581 1 248 . 1 1 22 22 GLY HA2 H 1 3.71182 0.04 . 2 . . . . . 22 GLY HA2 . 27581 1 249 . 1 1 22 22 GLY HA3 H 1 4.1994 0.04 . 2 . . . . . 22 GLY HA3 . 27581 1 250 . 1 1 22 22 GLY C C 13 173.08559 0.4 . 1 . . . . . 22 GLY C . 27581 1 251 . 1 1 22 22 GLY CA C 13 45.4362 0.4 . 1 . . . . . 22 GLY CA . 27581 1 252 . 1 1 22 22 GLY N N 15 113.56334 0.2 . 1 . . . . . 22 GLY N . 27581 1 253 . 1 1 23 23 LEU H H 1 7.86372 0.04 . 1 . . . . . 23 LEU H . 27581 1 254 . 1 1 23 23 LEU HA H 1 4.92463 0.04 . 1 . . . . . 23 LEU HA . 27581 1 255 . 1 1 23 23 LEU HB2 H 1 1.24647 0.04 . 2 . . . . . 23 LEU HB2 . 27581 1 256 . 1 1 23 23 LEU HB3 H 1 1.65472 0.04 . 2 . . . . . 23 LEU HB3 . 27581 1 257 . 1 1 23 23 LEU HG H 1 1.5008 0.04 . 1 . . . . . 23 LEU HG . 27581 1 258 . 1 1 23 23 LEU HD11 H 1 0.62685 0.04 . 2 . . . . . 23 LEU HD1* . 27581 1 259 . 1 1 23 23 LEU HD12 H 1 0.62685 0.04 . 2 . . . . . 23 LEU HD1* . 27581 1 260 . 1 1 23 23 LEU HD13 H 1 0.62685 0.04 . 2 . . . . . 23 LEU HD1* . 27581 1 261 . 1 1 23 23 LEU HD21 H 1 0.69831 0.04 . 2 . . . . . 23 LEU HD2* . 27581 1 262 . 1 1 23 23 LEU HD22 H 1 0.69831 0.04 . 2 . . . . . 23 LEU HD2* . 27581 1 263 . 1 1 23 23 LEU HD23 H 1 0.69831 0.04 . 2 . . . . . 23 LEU HD2* . 27581 1 264 . 1 1 23 23 LEU C C 13 176.76945 0.4 . 1 . . . . . 23 LEU C . 27581 1 265 . 1 1 23 23 LEU CA C 13 53.46812 0.4 . 1 . . . . . 23 LEU CA . 27581 1 266 . 1 1 23 23 LEU CB C 13 45.50538 0.4 . 1 . . . . . 23 LEU CB . 27581 1 267 . 1 1 23 23 LEU CG C 13 27.18555 0.4 . 1 . . . . . 23 LEU CG . 27581 1 268 . 1 1 23 23 LEU CD1 C 13 23.75481 0.4 . 2 . . . . . 23 LEU CD1 . 27581 1 269 . 1 1 23 23 LEU CD2 C 13 26.0109 0.4 . 2 . . . . . 23 LEU CD2 . 27581 1 270 . 1 1 23 23 LEU N N 15 120.82676 0.2 . 1 . . . . . 23 LEU N . 27581 1 271 . 1 1 24 24 THR H H 1 8.29725 0.04 . 1 . . . . . 24 THR H . 27581 1 272 . 1 1 24 24 THR HA H 1 4.56409 0.04 . 1 . . . . . 24 THR HA . 27581 1 273 . 1 1 24 24 THR HB H 1 4.57833 0.04 . 1 . . . . . 24 THR HB . 27581 1 274 . 1 1 24 24 THR HG21 H 1 1.16595 0.04 . 1 . . . . . 24 THR HG2* . 27581 1 275 . 1 1 24 24 THR HG22 H 1 1.16595 0.04 . 1 . . . . . 24 THR HG2* . 27581 1 276 . 1 1 24 24 THR HG23 H 1 1.16595 0.04 . 1 . . . . . 24 THR HG2* . 27581 1 277 . 1 1 24 24 THR C C 13 175.83099 0.4 . 1 . . . . . 24 THR C . 27581 1 278 . 1 1 24 24 THR CA C 13 60.01229 0.4 . 1 . . . . . 24 THR CA . 27581 1 279 . 1 1 24 24 THR CB C 13 71.20738 0.4 . 1 . . . . . 24 THR CB . 27581 1 280 . 1 1 24 24 THR CG2 C 13 21.68858 0.4 . 1 . . . . . 24 THR CG2 . 27581 1 281 . 1 1 24 24 THR N N 15 111.12183 0.2 . 1 . . . . . 24 THR N . 27581 1 282 . 1 1 25 25 ARG H H 1 8.6996 0.04 . 1 . . . . . 25 ARG H . 27581 1 283 . 1 1 25 25 ARG HA H 1 3.68333 0.04 . 1 . . . . . 25 ARG HA . 27581 1 284 . 1 1 25 25 ARG HB2 H 1 1.6604 0.04 . 1 . . . . . 25 ARG HB2 . 27581 1 285 . 1 1 25 25 ARG HB3 H 1 1.6604 0.04 . 1 . . . . . 25 ARG HB3 . 27581 1 286 . 1 1 25 25 ARG HG2 H 1 1.33561 0.04 . 1 . . . . . 25 ARG HG2 . 27581 1 287 . 1 1 25 25 ARG HG3 H 1 1.33561 0.04 . 1 . . . . . 25 ARG HG3 . 27581 1 288 . 1 1 25 25 ARG HD2 H 1 3.05854 0.04 . 2 . . . . . 25 ARG HD2 . 27581 1 289 . 1 1 25 25 ARG HD3 H 1 3.11874 0.04 . 2 . . . . . 25 ARG HD3 . 27581 1 290 . 1 1 25 25 ARG C C 13 177.81976 0.4 . 1 . . . . . 25 ARG C . 27581 1 291 . 1 1 25 25 ARG CA C 13 59.56241 0.4 . 1 . . . . . 25 ARG CA . 27581 1 292 . 1 1 25 25 ARG CB C 13 29.6542 0.4 . 1 . . . . . 25 ARG CB . 27581 1 293 . 1 1 25 25 ARG CG C 13 27.09244 0.4 . 1 . . . . . 25 ARG CG . 27581 1 294 . 1 1 25 25 ARG CD C 13 43.24822 0.4 . 1 . . . . . 25 ARG CD . 27581 1 295 . 1 1 25 25 ARG N N 15 120.86741 0.2 . 1 . . . . . 25 ARG N . 27581 1 296 . 1 1 26 26 ASP H H 1 8.04173 0.04 . 1 . . . . . 26 ASP H . 27581 1 297 . 1 1 26 26 ASP HA H 1 4.14751 0.04 . 1 . . . . . 26 ASP HA . 27581 1 298 . 1 1 26 26 ASP HB2 H 1 2.34769 0.04 . 2 . . . . . 26 ASP HB2 . 27581 1 299 . 1 1 26 26 ASP HB3 H 1 2.47079 0.04 . 2 . . . . . 26 ASP HB3 . 27581 1 300 . 1 1 26 26 ASP C C 13 178.7239 0.4 . 1 . . . . . 26 ASP C . 27581 1 301 . 1 1 26 26 ASP CA C 13 56.86083 0.4 . 1 . . . . . 26 ASP CA . 27581 1 302 . 1 1 26 26 ASP CB C 13 40.24784 0.4 . 1 . . . . . 26 ASP CB . 27581 1 303 . 1 1 26 26 ASP N N 15 115.74396 0.2 . 1 . . . . . 26 ASP N . 27581 1 304 . 1 1 27 27 GLN H H 1 7.52583 0.04 . 1 . . . . . 27 GLN H . 27581 1 305 . 1 1 27 27 GLN HA H 1 3.90392 0.04 . 1 . . . . . 27 GLN HA . 27581 1 306 . 1 1 27 27 GLN HB2 H 1 1.8067 0.04 . 2 . . . . . 27 GLN HB2 . 27581 1 307 . 1 1 27 27 GLN HB3 H 1 2.23075 0.04 . 2 . . . . . 27 GLN HB3 . 27581 1 308 . 1 1 27 27 GLN HG2 H 1 2.21084 0.04 . 2 . . . . . 27 GLN HG2 . 27581 1 309 . 1 1 27 27 GLN HG3 H 1 2.32135 0.04 . 2 . . . . . 27 GLN HG3 . 27581 1 310 . 1 1 27 27 GLN HE21 H 1 7.39312 0.04 . 2 . . . . . 27 GLN HE21 . 27581 1 311 . 1 1 27 27 GLN HE22 H 1 6.71665 0.04 . 2 . . . . . 27 GLN HE22 . 27581 1 312 . 1 1 27 27 GLN C C 13 178.97998 0.4 . 1 . . . . . 27 GLN C . 27581 1 313 . 1 1 27 27 GLN CA C 13 58.54177 0.4 . 1 . . . . . 27 GLN CA . 27581 1 314 . 1 1 27 27 GLN CB C 13 29.4984 0.4 . 1 . . . . . 27 GLN CB . 27581 1 315 . 1 1 27 27 GLN CG C 13 34.65656 0.4 . 1 . . . . . 27 GLN CG . 27581 1 316 . 1 1 27 27 GLN N N 15 119.34415 0.2 . 1 . . . . . 27 GLN N . 27581 1 317 . 1 1 27 27 GLN NE2 N 15 110.65087 0.2 . 1 . . . . . 27 GLN NE2 . 27581 1 318 . 1 1 28 28 VAL H H 1 7.9337 0.04 . 1 . . . . . 28 VAL H . 27581 1 319 . 1 1 28 28 VAL HA H 1 3.17483 0.04 . 1 . . . . . 28 VAL HA . 27581 1 320 . 1 1 28 28 VAL HB H 1 1.56702 0.04 . 1 . . . . . 28 VAL HB . 27581 1 321 . 1 1 28 28 VAL HG11 H 1 0.13889 0.04 . 2 . . . . . 28 VAL HG1 . 27581 1 322 . 1 1 28 28 VAL HG12 H 1 0.13889 0.04 . 2 . . . . . 28 VAL HG1 . 27581 1 323 . 1 1 28 28 VAL HG13 H 1 0.13889 0.04 . 2 . . . . . 28 VAL HG1 . 27581 1 324 . 1 1 28 28 VAL HG21 H 1 0.38715 0.04 . 2 . . . . . 28 VAL HG2 . 27581 1 325 . 1 1 28 28 VAL HG22 H 1 0.38715 0.04 . 2 . . . . . 28 VAL HG2 . 27581 1 326 . 1 1 28 28 VAL HG23 H 1 0.38715 0.04 . 2 . . . . . 28 VAL HG2 . 27581 1 327 . 1 1 28 28 VAL C C 13 176.46653 0.4 . 1 . . . . . 28 VAL C . 27581 1 328 . 1 1 28 28 VAL CA C 13 65.75937 0.4 . 1 . . . . . 28 VAL CA . 27581 1 329 . 1 1 28 28 VAL CB C 13 31.23631 0.4 . 1 . . . . . 28 VAL CB . 27581 1 330 . 1 1 28 28 VAL CG1 C 13 23.26389 0.4 . 2 . . . . . 28 VAL CG1 . 27581 1 331 . 1 1 28 28 VAL CG2 C 13 21.06608 0.4 . 2 . . . . . 28 VAL CG2 . 27581 1 332 . 1 1 28 28 VAL N N 15 119.17716 0.2 . 1 . . . . . 28 VAL N . 27581 1 333 . 1 1 29 29 LYS H H 1 7.08247 0.04 . 1 . . . . . 29 LYS H . 27581 1 334 . 1 1 29 29 LYS HA H 1 3.58156 0.04 . 1 . . . . . 29 LYS HA . 27581 1 335 . 1 1 29 29 LYS HB2 H 1 1.50487 0.04 . 2 . . . . . 29 LYS HB2 . 27581 1 336 . 1 1 29 29 LYS HB3 H 1 1.60307 0.04 . 2 . . . . . 29 LYS HB3 . 27581 1 337 . 1 1 29 29 LYS HG2 H 1 1.10225 0.04 . 2 . . . . . 29 LYS HG2 . 27581 1 338 . 1 1 29 29 LYS HG3 H 1 0.93226 0.04 . 2 . . . . . 29 LYS HG3 . 27581 1 339 . 1 1 29 29 LYS HD2 H 1 1.37609 0.04 . 1 . . . . . 29 LYS HD2 . 27581 1 340 . 1 1 29 29 LYS HD3 H 1 1.37609 0.04 . 1 . . . . . 29 LYS HD3 . 27581 1 341 . 1 1 29 29 LYS HE2 H 1 2.62984 0.04 . 2 . . . . . 29 LYS HE2 . 27581 1 342 . 1 1 29 29 LYS HE3 H 1 2.66891 0.04 . 2 . . . . . 29 LYS HE3 . 27581 1 343 . 1 1 29 29 LYS C C 13 176.82998 0.4 . 1 . . . . . 29 LYS C . 27581 1 344 . 1 1 29 29 LYS CA C 13 58.16448 0.4 . 1 . . . . . 29 LYS CA . 27581 1 345 . 1 1 29 29 LYS CB C 13 32.25213 0.4 . 1 . . . . . 29 LYS CB . 27581 1 346 . 1 1 29 29 LYS CG C 13 24.99983 0.4 . 1 . . . . . 29 LYS CG . 27581 1 347 . 1 1 29 29 LYS CD C 13 29.28523 0.4 . 1 . . . . . 29 LYS CD . 27581 1 348 . 1 1 29 29 LYS CE C 13 41.7477 0.4 . 1 . . . . . 29 LYS CE . 27581 1 349 . 1 1 29 29 LYS N N 15 115.40078 0.2 . 1 . . . . . 29 LYS N . 27581 1 350 . 1 1 30 30 ALA H H 1 7.01752 0.04 . 1 . . . . . 30 ALA H . 27581 1 351 . 1 1 30 30 ALA HA H 1 4.29018 0.04 . 1 . . . . . 30 ALA HA . 27581 1 352 . 1 1 30 30 ALA HB1 H 1 1.29675 0.04 . 1 . . . . . 30 ALA HB* . 27581 1 353 . 1 1 30 30 ALA HB2 H 1 1.29675 0.04 . 1 . . . . . 30 ALA HB* . 27581 1 354 . 1 1 30 30 ALA HB3 H 1 1.29675 0.04 . 1 . . . . . 30 ALA HB* . 27581 1 355 . 1 1 30 30 ALA C C 13 177.55071 0.4 . 1 . . . . . 30 ALA C . 27581 1 356 . 1 1 30 30 ALA CA C 13 52.00341 0.4 . 1 . . . . . 30 ALA CA . 27581 1 357 . 1 1 30 30 ALA CB C 13 20.07177 0.4 . 1 . . . . . 30 ALA CB . 27581 1 358 . 1 1 30 30 ALA N N 15 118.80889 0.2 . 1 . . . . . 30 ALA N . 27581 1 359 . 1 1 31 31 ILE H H 1 7.24362 0.04 . 1 . . . . . 31 ILE H . 27581 1 360 . 1 1 31 31 ILE HA H 1 4.06738 0.04 . 1 . . . . . 31 ILE HA . 27581 1 361 . 1 1 31 31 ILE HB H 1 1.7488 0.04 . 1 . . . . . 31 ILE HB . 27581 1 362 . 1 1 31 31 ILE HG12 H 1 1.18486 0.04 . 2 . . . . . 31 ILE HG12 . 27581 1 363 . 1 1 31 31 ILE HG13 H 1 1.33897 0.04 . 2 . . . . . 31 ILE HG13 . 27581 1 364 . 1 1 31 31 ILE HG21 H 1 0.69755 0.04 . 1 . . . . . 31 ILE HG2* . 27581 1 365 . 1 1 31 31 ILE HG22 H 1 0.69755 0.04 . 1 . . . . . 31 ILE HG2* . 27581 1 366 . 1 1 31 31 ILE HG23 H 1 0.69755 0.04 . 1 . . . . . 31 ILE HG2* . 27581 1 367 . 1 1 31 31 ILE HD11 H 1 0.59875 0.04 . 1 . . . . . 31 ILE HD1* . 27581 1 368 . 1 1 31 31 ILE HD12 H 1 0.59875 0.04 . 1 . . . . . 31 ILE HD1* . 27581 1 369 . 1 1 31 31 ILE HD13 H 1 0.59875 0.04 . 1 . . . . . 31 ILE HD1* . 27581 1 370 . 1 1 31 31 ILE CA C 13 62.12365 0.4 . 1 . . . . . 31 ILE CA . 27581 1 371 . 1 1 31 31 ILE CB C 13 39.65982 0.4 . 1 . . . . . 31 ILE CB . 27581 1 372 . 1 1 31 31 ILE CG1 C 13 27.36637 0.4 . 1 . . . . . 31 ILE CG1 . 27581 1 373 . 1 1 31 31 ILE CG2 C 13 17.51759 0.4 . 1 . . . . . 31 ILE CG2 . 27581 1 374 . 1 1 31 31 ILE CD1 C 13 14.13396 0.4 . 1 . . . . . 31 ILE CD1 . 27581 1 375 . 1 1 31 31 ILE N N 15 118.01637 0.2 . 1 . . . . . 31 ILE N . 27581 1 376 . 1 1 32 32 ASN H H 1 8.37383 0.04 . 1 . . . . . 32 ASN H . 27581 1 377 . 1 1 32 32 ASN HB2 H 1 2.52567 0.04 . 2 . . . . . 32 ASN HB2 . 27581 1 378 . 1 1 32 32 ASN HB3 H 1 2.57833 0.04 . 2 . . . . . 32 ASN HB3 . 27581 1 379 . 1 1 32 32 ASN HD21 H 1 7.23741 0.04 . 2 . . . . . 32 ASN HD21 . 27581 1 380 . 1 1 32 32 ASN HD22 H 1 6.79199 0.04 . 2 . . . . . 32 ASN HD22 . 27581 1 381 . 1 1 32 32 ASN CB C 13 40.45533 0.4 . 1 . . . . . 32 ASN CB . 27581 1 382 . 1 1 32 32 ASN N N 15 118.50332 0.2 . 1 . . . . . 32 ASN N . 27581 1 383 . 1 1 32 32 ASN ND2 N 15 112.79272 0.2 . 1 . . . . . 32 ASN ND2 . 27581 1 384 . 1 1 33 33 PHE HA H 1 4.87855 0.04 . 1 . . . . . 33 PHE HA . 27581 1 385 . 1 1 33 33 PHE HB2 H 1 2.72683 0.04 . 2 . . . . . 33 PHE HB2 . 27581 1 386 . 1 1 33 33 PHE HB3 H 1 2.54739 0.04 . 2 . . . . . 33 PHE HB3 . 27581 1 387 . 1 1 33 33 PHE HD1 H 1 6.82357 0.04 . 3 . . . . . 33 PHE HD* . 27581 1 388 . 1 1 33 33 PHE HD2 H 1 6.82357 0.04 . 3 . . . . . 33 PHE HD* . 27581 1 389 . 1 1 33 33 PHE HE1 H 1 7.18312 0.04 . 3 . . . . . 33 PHE HE* . 27581 1 390 . 1 1 33 33 PHE HE2 H 1 7.18312 0.04 . 3 . . . . . 33 PHE HE* . 27581 1 391 . 1 1 33 33 PHE C C 13 173.70902 0.4 . 1 . . . . . 33 PHE C . 27581 1 392 . 1 1 33 33 PHE CA C 13 56.44137 0.4 . 1 . . . . . 33 PHE CA . 27581 1 393 . 1 1 33 33 PHE CB C 13 42.38188 0.4 . 1 . . . . . 33 PHE CB . 27581 1 394 . 1 1 33 33 PHE CD1 C 13 131.92516 0.4 . 3 . . . . . 33 PHE CD* . 27581 1 395 . 1 1 33 33 PHE CD2 C 13 131.92516 0.4 . 3 . . . . . 33 PHE CD* . 27581 1 396 . 1 1 33 33 PHE CE1 C 13 131.05536 0.4 . 3 . . . . . 33 PHE CE* . 27581 1 397 . 1 1 33 33 PHE CE2 C 13 131.05536 0.4 . 3 . . . . . 33 PHE CE* . 27581 1 398 . 1 1 34 34 LEU H H 1 9.16144 0.04 . 1 . . . . . 34 LEU H . 27581 1 399 . 1 1 34 34 LEU HA H 1 4.58394 0.04 . 1 . . . . . 34 LEU HA . 27581 1 400 . 1 1 34 34 LEU HB2 H 1 1.32288 0.04 . 2 . . . . . 34 LEU HB2 . 27581 1 401 . 1 1 34 34 LEU HB3 H 1 1.62894 0.04 . 2 . . . . . 34 LEU HB3 . 27581 1 402 . 1 1 34 34 LEU HG H 1 1.75247 0.04 . 1 . . . . . 34 LEU HG . 27581 1 403 . 1 1 34 34 LEU HD11 H 1 0.60679 0.04 . 2 . . . . . 34 LEU HD1* . 27581 1 404 . 1 1 34 34 LEU HD12 H 1 0.60679 0.04 . 2 . . . . . 34 LEU HD1* . 27581 1 405 . 1 1 34 34 LEU HD13 H 1 0.60679 0.04 . 2 . . . . . 34 LEU HD1* . 27581 1 406 . 1 1 34 34 LEU HD21 H 1 0.69017 0.04 . 2 . . . . . 34 LEU HD2* . 27581 1 407 . 1 1 34 34 LEU HD22 H 1 0.69017 0.04 . 2 . . . . . 34 LEU HD2* . 27581 1 408 . 1 1 34 34 LEU HD23 H 1 0.69017 0.04 . 2 . . . . . 34 LEU HD2* . 27581 1 409 . 1 1 34 34 LEU C C 13 173.29783 0.4 . 1 . . . . . 34 LEU C . 27581 1 410 . 1 1 34 34 LEU CA C 13 49.90213 0.4 . 1 . . . . . 34 LEU CA . 27581 1 411 . 1 1 34 34 LEU CB C 13 40.98198 0.4 . 1 . . . . . 34 LEU CB . 27581 1 412 . 1 1 34 34 LEU CG C 13 28.78634 0.4 . 1 . . . . . 34 LEU CG . 27581 1 413 . 1 1 34 34 LEU CD1 C 13 23.86083 0.4 . 2 . . . . . 34 LEU CD1 . 27581 1 414 . 1 1 34 34 LEU CD2 C 13 23.97906 0.4 . 2 . . . . . 34 LEU CD2 . 27581 1 415 . 1 1 34 34 LEU N N 15 125.17689 0.2 . 1 . . . . . 34 LEU N . 27581 1 416 . 1 1 35 35 PRO HA H 1 4.44934 0.04 . 1 . . . . . 35 PRO HA . 27581 1 417 . 1 1 35 35 PRO HB2 H 1 1.91174 0.04 . 2 . . . . . 35 PRO HB2 . 27581 1 418 . 1 1 35 35 PRO HB3 H 1 2.20722 0.04 . 2 . . . . . 35 PRO HB3 . 27581 1 419 . 1 1 35 35 PRO HG2 H 1 1.99542 0.04 . 1 . . . . . 35 PRO HG2 . 27581 1 420 . 1 1 35 35 PRO HG3 H 1 1.99542 0.04 . 1 . . . . . 35 PRO HG3 . 27581 1 421 . 1 1 35 35 PRO HD2 H 1 3.12818 0.04 . 2 . . . . . 35 PRO HD2 . 27581 1 422 . 1 1 35 35 PRO HD3 H 1 3.51764 0.04 . 2 . . . . . 35 PRO HD3 . 27581 1 423 . 1 1 35 35 PRO C C 13 176.03215 0.4 . 1 . . . . . 35 PRO C . 27581 1 424 . 1 1 35 35 PRO CA C 13 62.02711 0.4 . 1 . . . . . 35 PRO CA . 27581 1 425 . 1 1 35 35 PRO CB C 13 32.55375 0.4 . 1 . . . . . 35 PRO CB . 27581 1 426 . 1 1 35 35 PRO CG C 13 27.34942 0.4 . 1 . . . . . 35 PRO CG . 27581 1 427 . 1 1 35 35 PRO CD C 13 49.69963 0.4 . 1 . . . . . 35 PRO CD . 27581 1 428 . 1 1 36 36 VAL H H 1 7.8867 0.04 . 1 . . . . . 36 VAL H . 27581 1 429 . 1 1 36 36 VAL HA H 1 3.16284 0.04 . 1 . . . . . 36 VAL HA . 27581 1 430 . 1 1 36 36 VAL HB H 1 1.68838 0.04 . 1 . . . . . 36 VAL HB . 27581 1 431 . 1 1 36 36 VAL HG11 H 1 0.76334 0.04 . 2 . . . . . 36 VAL HG1 . 27581 1 432 . 1 1 36 36 VAL HG12 H 1 0.76334 0.04 . 2 . . . . . 36 VAL HG1 . 27581 1 433 . 1 1 36 36 VAL HG13 H 1 0.76334 0.04 . 2 . . . . . 36 VAL HG1 . 27581 1 434 . 1 1 36 36 VAL HG21 H 1 0.81906 0.04 . 2 . . . . . 36 VAL HG2 . 27581 1 435 . 1 1 36 36 VAL HG22 H 1 0.81906 0.04 . 2 . . . . . 36 VAL HG2 . 27581 1 436 . 1 1 36 36 VAL HG23 H 1 0.81906 0.04 . 2 . . . . . 36 VAL HG2 . 27581 1 437 . 1 1 36 36 VAL C C 13 176.91559 0.4 . 1 . . . . . 36 VAL C . 27581 1 438 . 1 1 36 36 VAL CA C 13 65.07682 0.4 . 1 . . . . . 36 VAL CA . 27581 1 439 . 1 1 36 36 VAL CB C 13 31.36939 0.4 . 1 . . . . . 36 VAL CB . 27581 1 440 . 1 1 36 36 VAL CG1 C 13 23.04456 0.4 . 2 . . . . . 36 VAL CG1 . 27581 1 441 . 1 1 36 36 VAL CG2 C 13 20.70832 0.4 . 2 . . . . . 36 VAL CG2 . 27581 1 442 . 1 1 36 36 VAL N N 15 118.96087 0.2 . 1 . . . . . 36 VAL N . 27581 1 443 . 1 1 37 37 ASP H H 1 8.7943 0.04 . 1 . . . . . 37 ASP H . 27581 1 444 . 1 1 37 37 ASP HA H 1 4.03947 0.04 . 1 . . . . . 37 ASP HA . 27581 1 445 . 1 1 37 37 ASP HB2 H 1 2.74239 0.04 . 2 . . . . . 37 ASP HB2 . 27581 1 446 . 1 1 37 37 ASP HB3 H 1 3.35412 0.04 . 2 . . . . . 37 ASP HB3 . 27581 1 447 . 1 1 37 37 ASP C C 13 174.96445 0.4 . 1 . . . . . 37 ASP C . 27581 1 448 . 1 1 37 37 ASP CA C 13 57.65842 0.4 . 1 . . . . . 37 ASP CA . 27581 1 449 . 1 1 37 37 ASP CB C 13 39.2582 0.4 . 1 . . . . . 37 ASP CB . 27581 1 450 . 1 1 37 37 ASP N N 15 119.15979 0.2 . 1 . . . . . 37 ASP N . 27581 1 451 . 1 1 38 38 TYR H H 1 8.19334 0.04 . 1 . . . . . 38 TYR H . 27581 1 452 . 1 1 38 38 TYR HA H 1 3.99703 0.04 . 1 . . . . . 38 TYR HA . 27581 1 453 . 1 1 38 38 TYR HB2 H 1 2.80362 0.04 . 2 . . . . . 38 TYR HB2 . 27581 1 454 . 1 1 38 38 TYR HB3 H 1 3.16817 0.04 . 2 . . . . . 38 TYR HB3 . 27581 1 455 . 1 1 38 38 TYR HD1 H 1 7.08223 0.04 . 3 . . . . . 38 TYR HD* . 27581 1 456 . 1 1 38 38 TYR HD2 H 1 7.08223 0.04 . 3 . . . . . 38 TYR HD* . 27581 1 457 . 1 1 38 38 TYR HE1 H 1 6.88564 0.04 . 3 . . . . . 38 TYR HE* . 27581 1 458 . 1 1 38 38 TYR HE2 H 1 6.88564 0.04 . 3 . . . . . 38 TYR HE* . 27581 1 459 . 1 1 38 38 TYR C C 13 174.24631 0.4 . 1 . . . . . 38 TYR C . 27581 1 460 . 1 1 38 38 TYR CA C 13 61.05148 0.4 . 1 . . . . . 38 TYR CA . 27581 1 461 . 1 1 38 38 TYR CB C 13 40.27639 0.4 . 1 . . . . . 38 TYR CB . 27581 1 462 . 1 1 38 38 TYR CD1 C 13 133.19298 0.4 . 3 . . . . . 38 TYR CD* . 27581 1 463 . 1 1 38 38 TYR CD2 C 13 133.19298 0.4 . 3 . . . . . 38 TYR CD* . 27581 1 464 . 1 1 38 38 TYR CE1 C 13 119.15085 0.4 . 3 . . . . . 38 TYR CE* . 27581 1 465 . 1 1 38 38 TYR CE2 C 13 119.15085 0.4 . 3 . . . . . 38 TYR CE* . 27581 1 466 . 1 1 38 38 TYR N N 15 123.7178 0.2 . 1 . . . . . 38 TYR N . 27581 1 467 . 1 1 39 39 GLU H H 1 7.26636 0.04 . 1 . . . . . 39 GLU H . 27581 1 468 . 1 1 39 39 GLU HA H 1 5.63699 0.04 . 1 . . . . . 39 GLU HA . 27581 1 469 . 1 1 39 39 GLU HB2 H 1 1.63303 0.04 . 2 . . . . . 39 GLU HB2 . 27581 1 470 . 1 1 39 39 GLU HB3 H 1 1.75649 0.04 . 2 . . . . . 39 GLU HB3 . 27581 1 471 . 1 1 39 39 GLU HG2 H 1 1.89233 0.04 . 2 . . . . . 39 GLU HG2 . 27581 1 472 . 1 1 39 39 GLU HG3 H 1 2.20015 0.04 . 2 . . . . . 39 GLU HG3 . 27581 1 473 . 1 1 39 39 GLU C C 13 175.46514 0.4 . 1 . . . . . 39 GLU C . 27581 1 474 . 1 1 39 39 GLU CA C 13 54.36049 0.4 . 1 . . . . . 39 GLU CA . 27581 1 475 . 1 1 39 39 GLU CB C 13 33.27262 0.4 . 1 . . . . . 39 GLU CB . 27581 1 476 . 1 1 39 39 GLU CG C 13 36.82695 0.4 . 1 . . . . . 39 GLU CG . 27581 1 477 . 1 1 39 39 GLU N N 15 124.83671 0.2 . 1 . . . . . 39 GLU N . 27581 1 478 . 1 1 40 40 ILE H H 1 8.56435 0.04 . 1 . . . . . 40 ILE H . 27581 1 479 . 1 1 40 40 ILE HA H 1 4.23449 0.04 . 1 . . . . . 40 ILE HA . 27581 1 480 . 1 1 40 40 ILE HB H 1 1.04632 0.04 . 1 . . . . . 40 ILE HB . 27581 1 481 . 1 1 40 40 ILE HG12 H 1 0.46721 0.04 . 2 . . . . . 40 ILE HG12 . 27581 1 482 . 1 1 40 40 ILE HG13 H 1 0.81306 0.04 . 2 . . . . . 40 ILE HG13 . 27581 1 483 . 1 1 40 40 ILE HG21 H 1 0.5407 0.04 . 1 . . . . . 40 ILE HG2* . 27581 1 484 . 1 1 40 40 ILE HG22 H 1 0.5407 0.04 . 1 . . . . . 40 ILE HG2* . 27581 1 485 . 1 1 40 40 ILE HG23 H 1 0.5407 0.04 . 1 . . . . . 40 ILE HG2* . 27581 1 486 . 1 1 40 40 ILE HD11 H 1 -0.31561 0.04 . 1 . . . . . 40 ILE HD1* . 27581 1 487 . 1 1 40 40 ILE HD12 H 1 -0.31561 0.04 . 1 . . . . . 40 ILE HD1* . 27581 1 488 . 1 1 40 40 ILE HD13 H 1 -0.31561 0.04 . 1 . . . . . 40 ILE HD1* . 27581 1 489 . 1 1 40 40 ILE C C 13 173.62508 0.4 . 1 . . . . . 40 ILE C . 27581 1 490 . 1 1 40 40 ILE CA C 13 59.40417 0.4 . 1 . . . . . 40 ILE CA . 27581 1 491 . 1 1 40 40 ILE CB C 13 40.38699 0.4 . 1 . . . . . 40 ILE CB . 27581 1 492 . 1 1 40 40 ILE CG1 C 13 24.69829 0.4 . 1 . . . . . 40 ILE CG1 . 27581 1 493 . 1 1 40 40 ILE CG2 C 13 20.28234 0.4 . 1 . . . . . 40 ILE CG2 . 27581 1 494 . 1 1 40 40 ILE CD1 C 13 13.76758 0.4 . 1 . . . . . 40 ILE CD1 . 27581 1 495 . 1 1 40 40 ILE N N 15 115.3952 0.2 . 1 . . . . . 40 ILE N . 27581 1 496 . 1 1 41 41 GLU H H 1 6.67181 0.04 . 1 . . . . . 41 GLU H . 27581 1 497 . 1 1 41 41 GLU HA H 1 5.2289 0.04 . 1 . . . . . 41 GLU HA . 27581 1 498 . 1 1 41 41 GLU HB2 H 1 1.75868 0.04 . 2 . . . . . 41 GLU HB2 . 27581 1 499 . 1 1 41 41 GLU HB3 H 1 1.797 0.04 . 2 . . . . . 41 GLU HB3 . 27581 1 500 . 1 1 41 41 GLU HG2 H 1 2.06778 0.04 . 2 . . . . . 41 GLU HG2 . 27581 1 501 . 1 1 41 41 GLU HG3 H 1 2.13986 0.04 . 2 . . . . . 41 GLU HG3 . 27581 1 502 . 1 1 41 41 GLU C C 13 174.50948 0.4 . 1 . . . . . 41 GLU C . 27581 1 503 . 1 1 41 41 GLU CA C 13 53.58354 0.4 . 1 . . . . . 41 GLU CA . 27581 1 504 . 1 1 41 41 GLU CB C 13 34.03365 0.4 . 1 . . . . . 41 GLU CB . 27581 1 505 . 1 1 41 41 GLU CG C 13 35.57841 0.4 . 1 . . . . . 41 GLU CG . 27581 1 506 . 1 1 41 41 GLU N N 15 117.94601 0.2 . 1 . . . . . 41 GLU N . 27581 1 507 . 1 1 42 42 TYR H H 1 8.68121 0.04 . 1 . . . . . 42 TYR H . 27581 1 508 . 1 1 42 42 TYR HA H 1 4.62428 0.04 . 1 . . . . . 42 TYR HA . 27581 1 509 . 1 1 42 42 TYR HB2 H 1 2.63993 0.04 . 2 . . . . . 42 TYR HB2 . 27581 1 510 . 1 1 42 42 TYR HB3 H 1 2.68293 0.04 . 2 . . . . . 42 TYR HB3 . 27581 1 511 . 1 1 42 42 TYR HD1 H 1 6.75802 0.04 . 3 . . . . . 42 TYR HD* . 27581 1 512 . 1 1 42 42 TYR HD2 H 1 6.75802 0.04 . 3 . . . . . 42 TYR HD* . 27581 1 513 . 1 1 42 42 TYR HE1 H 1 6.27295 0.04 . 3 . . . . . 42 TYR HE* . 27581 1 514 . 1 1 42 42 TYR HE2 H 1 6.27295 0.04 . 3 . . . . . 42 TYR HE* . 27581 1 515 . 1 1 42 42 TYR C C 13 174.79021 0.4 . 1 . . . . . 42 TYR C . 27581 1 516 . 1 1 42 42 TYR CA C 13 58.74686 0.4 . 1 . . . . . 42 TYR CA . 27581 1 517 . 1 1 42 42 TYR CB C 13 41.02481 0.4 . 1 . . . . . 42 TYR CB . 27581 1 518 . 1 1 42 42 TYR CD1 C 13 132.65676 0.4 . 3 . . . . . 42 TYR CD* . 27581 1 519 . 1 1 42 42 TYR CD2 C 13 132.65676 0.4 . 3 . . . . . 42 TYR CD* . 27581 1 520 . 1 1 42 42 TYR CE1 C 13 117.06549 0.4 . 3 . . . . . 42 TYR CE* . 27581 1 521 . 1 1 42 42 TYR CE2 C 13 117.06549 0.4 . 3 . . . . . 42 TYR CE* . 27581 1 522 . 1 1 42 42 TYR N N 15 124.13422 0.2 . 1 . . . . . 42 TYR N . 27581 1 523 . 1 1 43 43 VAL H H 1 8.23804 0.04 . 1 . . . . . 43 VAL H . 27581 1 524 . 1 1 43 43 VAL HA H 1 4.35953 0.04 . 1 . . . . . 43 VAL HA . 27581 1 525 . 1 1 43 43 VAL HB H 1 1.80325 0.04 . 1 . . . . . 43 VAL HB . 27581 1 526 . 1 1 43 43 VAL HG11 H 1 0.21851 0.04 . 2 . . . . . 43 VAL HG1 . 27581 1 527 . 1 1 43 43 VAL HG12 H 1 0.21851 0.04 . 2 . . . . . 43 VAL HG1 . 27581 1 528 . 1 1 43 43 VAL HG13 H 1 0.21851 0.04 . 2 . . . . . 43 VAL HG1 . 27581 1 529 . 1 1 43 43 VAL HG21 H 1 0.67071 0.04 . 2 . . . . . 43 VAL HG2 . 27581 1 530 . 1 1 43 43 VAL HG22 H 1 0.67071 0.04 . 2 . . . . . 43 VAL HG2 . 27581 1 531 . 1 1 43 43 VAL HG23 H 1 0.67071 0.04 . 2 . . . . . 43 VAL HG2 . 27581 1 532 . 1 1 43 43 VAL C C 13 174.39459 0.4 . 1 . . . . . 43 VAL C . 27581 1 533 . 1 1 43 43 VAL CA C 13 59.67114 0.4 . 1 . . . . . 43 VAL CA . 27581 1 534 . 1 1 43 43 VAL CB C 13 35.45759 0.4 . 1 . . . . . 43 VAL CB . 27581 1 535 . 1 1 43 43 VAL CG1 C 13 19.94779 0.4 . 2 . . . . . 43 VAL CG1 . 27581 1 536 . 1 1 43 43 VAL CG2 C 13 21.8421 0.4 . 2 . . . . . 43 VAL CG2 . 27581 1 537 . 1 1 43 43 VAL N N 15 115.96081 0.2 . 1 . . . . . 43 VAL N . 27581 1 538 . 1 1 44 44 CYS H H 1 8.74243 0.04 . 1 . . . . . 44 CYS H . 27581 1 539 . 1 1 44 44 CYS HA H 1 5.50026 0.04 . 1 . . . . . 44 CYS HA . 27581 1 540 . 1 1 44 44 CYS HB2 H 1 2.59381 0.04 . 2 . . . . . 44 CYS HB2 . 27581 1 541 . 1 1 44 44 CYS HB3 H 1 2.97725 0.04 . 2 . . . . . 44 CYS HB3 . 27581 1 542 . 1 1 44 44 CYS C C 13 174.53795 0.4 . 1 . . . . . 44 CYS C . 27581 1 543 . 1 1 44 44 CYS CA C 13 53.24521 0.4 . 1 . . . . . 44 CYS CA . 27581 1 544 . 1 1 44 44 CYS CB C 13 42.86205 0.4 . 1 . . . . . 44 CYS CB . 27581 1 545 . 1 1 44 44 CYS N N 15 118.0203 0.2 . 1 . . . . . 44 CYS N . 27581 1 546 . 1 1 45 45 ARG H H 1 8.62869 0.04 . 1 . . . . . 45 ARG H . 27581 1 547 . 1 1 45 45 ARG HA H 1 4.17936 0.04 . 1 . . . . . 45 ARG HA . 27581 1 548 . 1 1 45 45 ARG HB2 H 1 1.52351 0.04 . 2 . . . . . 45 ARG HB2 . 27581 1 549 . 1 1 45 45 ARG HB3 H 1 1.57736 0.04 . 2 . . . . . 45 ARG HB3 . 27581 1 550 . 1 1 45 45 ARG HG2 H 1 1.14816 0.04 . 2 . . . . . 45 ARG HG2 . 27581 1 551 . 1 1 45 45 ARG HG3 H 1 1.24457 0.04 . 2 . . . . . 45 ARG HG3 . 27581 1 552 . 1 1 45 45 ARG HD2 H 1 2.37771 0.04 . 2 . . . . . 45 ARG HD2 . 27581 1 553 . 1 1 45 45 ARG HD3 H 1 2.53925 0.04 . 2 . . . . . 45 ARG HD3 . 27581 1 554 . 1 1 45 45 ARG C C 13 177.77169 0.4 . 1 . . . . . 45 ARG C . 27581 1 555 . 1 1 45 45 ARG CA C 13 56.03414 0.4 . 1 . . . . . 45 ARG CA . 27581 1 556 . 1 1 45 45 ARG CB C 13 31.26947 0.4 . 1 . . . . . 45 ARG CB . 27581 1 557 . 1 1 45 45 ARG CG C 13 27.32611 0.4 . 1 . . . . . 45 ARG CG . 27581 1 558 . 1 1 45 45 ARG CD C 13 42.92252 0.4 . 1 . . . . . 45 ARG CD . 27581 1 559 . 1 1 45 45 ARG N N 15 120.67973 0.2 . 1 . . . . . 45 ARG N . 27581 1 560 . 1 1 46 46 GLY H H 1 8.63406 0.04 . 1 . . . . . 46 GLY H . 27581 1 561 . 1 1 46 46 GLY HA2 H 1 3.70697 0.04 . 1 . . . . . 46 GLY HA2 . 27581 1 562 . 1 1 46 46 GLY HA3 H 1 3.70697 0.04 . 1 . . . . . 46 GLY HA3 . 27581 1 563 . 1 1 46 46 GLY C C 13 174.57999 0.4 . 1 . . . . . 46 GLY C . 27581 1 564 . 1 1 46 46 GLY CA C 13 46.66237 0.4 . 1 . . . . . 46 GLY CA . 27581 1 565 . 1 1 46 46 GLY N N 15 110.04421 0.2 . 1 . . . . . 46 GLY N . 27581 1 566 . 1 1 47 47 GLU H H 1 8.69278 0.04 . 1 . . . . . 47 GLU H . 27581 1 567 . 1 1 47 47 GLU HA H 1 4.16762 0.04 . 1 . . . . . 47 GLU HA . 27581 1 568 . 1 1 47 47 GLU HB2 H 1 2.15662 0.04 . 2 . . . . . 47 GLU HB2 . 27581 1 569 . 1 1 47 47 GLU HB3 H 1 1.93148 0.04 . 2 . . . . . 47 GLU HB3 . 27581 1 570 . 1 1 47 47 GLU HG2 H 1 2.16476 0.04 . 1 . . . . . 47 GLU HG2 . 27581 1 571 . 1 1 47 47 GLU HG3 H 1 2.16476 0.04 . 1 . . . . . 47 GLU HG3 . 27581 1 572 . 1 1 47 47 GLU C C 13 176.09439 0.4 . 1 . . . . . 47 GLU C . 27581 1 573 . 1 1 47 47 GLU CA C 13 56.34145 0.4 . 1 . . . . . 47 GLU CA . 27581 1 574 . 1 1 47 47 GLU CB C 13 28.03853 0.4 . 1 . . . . . 47 GLU CB . 27581 1 575 . 1 1 47 47 GLU CG C 13 36.31744 0.4 . 1 . . . . . 47 GLU CG . 27581 1 576 . 1 1 47 47 GLU N N 15 119.61446 0.2 . 1 . . . . . 47 GLU N . 27581 1 577 . 1 1 48 48 ARG H H 1 7.15396 0.04 . 1 . . . . . 48 ARG H . 27581 1 578 . 1 1 48 48 ARG HA H 1 4.26444 0.04 . 1 . . . . . 48 ARG HA . 27581 1 579 . 1 1 48 48 ARG HB2 H 1 1.5912 0.04 . 2 . . . . . 48 ARG HB2 . 27581 1 580 . 1 1 48 48 ARG HB3 H 1 1.6518 0.04 . 2 . . . . . 48 ARG HB3 . 27581 1 581 . 1 1 48 48 ARG HG2 H 1 1.39432 0.04 . 2 . . . . . 48 ARG HG2 . 27581 1 582 . 1 1 48 48 ARG HG3 H 1 1.6593 0.04 . 2 . . . . . 48 ARG HG3 . 27581 1 583 . 1 1 48 48 ARG HD2 H 1 2.94984 0.04 . 2 . . . . . 48 ARG HD2 . 27581 1 584 . 1 1 48 48 ARG HD3 H 1 3.10718 0.04 . 2 . . . . . 48 ARG HD3 . 27581 1 585 . 1 1 48 48 ARG C C 13 174.68609 0.4 . 1 . . . . . 48 ARG C . 27581 1 586 . 1 1 48 48 ARG CA C 13 56.11732 0.4 . 1 . . . . . 48 ARG CA . 27581 1 587 . 1 1 48 48 ARG CB C 13 32.00784 0.4 . 1 . . . . . 48 ARG CB . 27581 1 588 . 1 1 48 48 ARG CG C 13 28.83897 0.4 . 1 . . . . . 48 ARG CG . 27581 1 589 . 1 1 48 48 ARG CD C 13 43.48663 0.4 . 1 . . . . . 48 ARG CD . 27581 1 590 . 1 1 48 48 ARG N N 15 118.50507 0.2 . 1 . . . . . 48 ARG N . 27581 1 591 . 1 1 49 49 GLU H H 1 8.49638 0.04 . 1 . . . . . 49 GLU H . 27581 1 592 . 1 1 49 49 GLU HA H 1 4.43807 0.04 . 1 . . . . . 49 GLU HA . 27581 1 593 . 1 1 49 49 GLU HB2 H 1 1.78788 0.04 . 2 . . . . . 49 GLU HB2 . 27581 1 594 . 1 1 49 49 GLU HB3 H 1 1.90686 0.04 . 2 . . . . . 49 GLU HB3 . 27581 1 595 . 1 1 49 49 GLU HG2 H 1 2.21683 0.04 . 1 . . . . . 49 GLU HG2 . 27581 1 596 . 1 1 49 49 GLU HG3 H 1 2.21683 0.04 . 1 . . . . . 49 GLU HG3 . 27581 1 597 . 1 1 49 49 GLU C C 13 175.28949 0.4 . 1 . . . . . 49 GLU C . 27581 1 598 . 1 1 49 49 GLU CA C 13 54.52932 0.4 . 1 . . . . . 49 GLU CA . 27581 1 599 . 1 1 49 49 GLU CB C 13 32.17789 0.4 . 1 . . . . . 49 GLU CB . 27581 1 600 . 1 1 49 49 GLU CG C 13 35.47442 0.4 . 1 . . . . . 49 GLU CG . 27581 1 601 . 1 1 49 49 GLU N N 15 119.93526 0.2 . 1 . . . . . 49 GLU N . 27581 1 602 . 1 1 50 50 VAL H H 1 8.39006 0.04 . 1 . . . . . 50 VAL H . 27581 1 603 . 1 1 50 50 VAL HA H 1 4.11526 0.04 . 1 . . . . . 50 VAL HA . 27581 1 604 . 1 1 50 50 VAL HB H 1 1.77758 0.04 . 1 . . . . . 50 VAL HB . 27581 1 605 . 1 1 50 50 VAL HG11 H 1 0.47545 0.04 . 2 . . . . . 50 VAL HG1 . 27581 1 606 . 1 1 50 50 VAL HG12 H 1 0.47545 0.04 . 2 . . . . . 50 VAL HG1 . 27581 1 607 . 1 1 50 50 VAL HG13 H 1 0.47545 0.04 . 2 . . . . . 50 VAL HG1 . 27581 1 608 . 1 1 50 50 VAL HG21 H 1 0.82855 0.04 . 2 . . . . . 50 VAL HG2 . 27581 1 609 . 1 1 50 50 VAL HG22 H 1 0.82855 0.04 . 2 . . . . . 50 VAL HG2 . 27581 1 610 . 1 1 50 50 VAL HG23 H 1 0.82855 0.04 . 2 . . . . . 50 VAL HG2 . 27581 1 611 . 1 1 50 50 VAL C C 13 176.55597 0.4 . 1 . . . . . 50 VAL C . 27581 1 612 . 1 1 50 50 VAL CA C 13 62.97966 0.4 . 1 . . . . . 50 VAL CA . 27581 1 613 . 1 1 50 50 VAL CB C 13 32.65852 0.4 . 1 . . . . . 50 VAL CB . 27581 1 614 . 1 1 50 50 VAL CG1 C 13 21.64964 0.4 . 2 . . . . . 50 VAL CG1 . 27581 1 615 . 1 1 50 50 VAL CG2 C 13 22.97321 0.4 . 2 . . . . . 50 VAL CG2 . 27581 1 616 . 1 1 50 50 VAL N N 15 122.82996 0.2 . 1 . . . . . 50 VAL N . 27581 1 617 . 1 1 51 51 VAL H H 1 9.00419 0.04 . 1 . . . . . 51 VAL H . 27581 1 618 . 1 1 51 51 VAL HA H 1 4.13926 0.04 . 1 . . . . . 51 VAL HA . 27581 1 619 . 1 1 51 51 VAL HB H 1 1.73098 0.04 . 1 . . . . . 51 VAL HB . 27581 1 620 . 1 1 51 51 VAL HG11 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG1 . 27581 1 621 . 1 1 51 51 VAL HG12 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG1 . 27581 1 622 . 1 1 51 51 VAL HG13 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG1 . 27581 1 623 . 1 1 51 51 VAL HG21 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG2 . 27581 1 624 . 1 1 51 51 VAL HG22 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG2 . 27581 1 625 . 1 1 51 51 VAL HG23 H 1 0.80853 0.04 . 2 . . . . . 51 VAL HG2 . 27581 1 626 . 1 1 51 51 VAL C C 13 175.47223 0.4 . 1 . . . . . 51 VAL C . 27581 1 627 . 1 1 51 51 VAL CA C 13 62.06912 0.4 . 1 . . . . . 51 VAL CA . 27581 1 628 . 1 1 51 51 VAL CB C 13 33.2115 0.4 . 1 . . . . . 51 VAL CB . 27581 1 629 . 1 1 51 51 VAL CG1 C 13 21.43865 0.4 . 2 . . . . . 51 VAL CG1 . 27581 1 630 . 1 1 51 51 VAL CG2 C 13 21.43865 0.4 . 2 . . . . . 51 VAL CG2 . 27581 1 631 . 1 1 51 51 VAL N N 15 130.06561 0.2 . 1 . . . . . 51 VAL N . 27581 1 632 . 1 1 52 52 GLY H H 1 8.04929 0.04 . 1 . . . . . 52 GLY H . 27581 1 633 . 1 1 52 52 GLY HA2 H 1 3.41548 0.04 . 2 . . . . . 52 GLY HA2 . 27581 1 634 . 1 1 52 52 GLY HA3 H 1 4.7574 0.04 . 2 . . . . . 52 GLY HA3 . 27581 1 635 . 1 1 52 52 GLY C C 13 170.80504 0.4 . 1 . . . . . 52 GLY C . 27581 1 636 . 1 1 52 52 GLY CA C 13 43.30367 0.4 . 1 . . . . . 52 GLY CA . 27581 1 637 . 1 1 52 52 GLY N N 15 114.31554 0.2 . 1 . . . . . 52 GLY N . 27581 1 638 . 1 1 53 53 PRO HA H 1 4.08223 0.04 . 1 . . . . . 53 PRO HA . 27581 1 639 . 1 1 53 53 PRO HB2 H 1 1.43873 0.04 . 2 . . . . . 53 PRO HB2 . 27581 1 640 . 1 1 53 53 PRO HB3 H 1 2.18023 0.04 . 2 . . . . . 53 PRO HB3 . 27581 1 641 . 1 1 53 53 PRO HG2 H 1 1.89528 0.04 . 1 . . . . . 53 PRO HG2 . 27581 1 642 . 1 1 53 53 PRO HG3 H 1 1.89528 0.04 . 1 . . . . . 53 PRO HG3 . 27581 1 643 . 1 1 53 53 PRO HD2 H 1 3.1779 0.04 . 1 . . . . . 53 PRO HD2 . 27581 1 644 . 1 1 53 53 PRO HD3 H 1 3.1779 0.04 . 1 . . . . . 53 PRO HD3 . 27581 1 645 . 1 1 53 53 PRO C C 13 176.40468 0.4 . 1 . . . . . 53 PRO C . 27581 1 646 . 1 1 53 53 PRO CA C 13 63.62271 0.4 . 1 . . . . . 53 PRO CA . 27581 1 647 . 1 1 53 53 PRO CB C 13 31.73879 0.4 . 1 . . . . . 53 PRO CB . 27581 1 648 . 1 1 53 53 PRO CG C 13 27.79406 0.4 . 1 . . . . . 53 PRO CG . 27581 1 649 . 1 1 53 53 PRO CD C 13 49.05828 0.4 . 1 . . . . . 53 PRO CD . 27581 1 650 . 1 1 54 54 LYS H H 1 8.4309 0.04 . 1 . . . . . 54 LYS H . 27581 1 651 . 1 1 54 54 LYS HA H 1 4.16937 0.04 . 1 . . . . . 54 LYS HA . 27581 1 652 . 1 1 54 54 LYS HB2 H 1 1.9556 0.04 . 2 . . . . . 54 LYS HB2 . 27581 1 653 . 1 1 54 54 LYS HB3 H 1 1.80429 0.04 . 2 . . . . . 54 LYS HB3 . 27581 1 654 . 1 1 54 54 LYS HG2 H 1 1.461 0.04 . 2 . . . . . 54 LYS HG2 . 27581 1 655 . 1 1 54 54 LYS HG3 H 1 1.5909 0.04 . 2 . . . . . 54 LYS HG3 . 27581 1 656 . 1 1 54 54 LYS HD2 H 1 1.69783 0.04 . 2 . . . . . 54 LYS HD2 . 27581 1 657 . 1 1 54 54 LYS HD3 H 1 1.75515 0.04 . 2 . . . . . 54 LYS HD3 . 27581 1 658 . 1 1 54 54 LYS HE2 H 1 3.02589 0.04 . 1 . . . . . 54 LYS HE2 . 27581 1 659 . 1 1 54 54 LYS HE3 H 1 3.02589 0.04 . 1 . . . . . 54 LYS HE3 . 27581 1 660 . 1 1 54 54 LYS C C 13 175.88399 0.4 . 1 . . . . . 54 LYS C . 27581 1 661 . 1 1 54 54 LYS CA C 13 57.89043 0.4 . 1 . . . . . 54 LYS CA . 27581 1 662 . 1 1 54 54 LYS CB C 13 33.95935 0.4 . 1 . . . . . 54 LYS CB . 27581 1 663 . 1 1 54 54 LYS CG C 13 26.06274 0.4 . 1 . . . . . 54 LYS CG . 27581 1 664 . 1 1 54 54 LYS CD C 13 29.36416 0.4 . 1 . . . . . 54 LYS CD . 27581 1 665 . 1 1 54 54 LYS CE C 13 42.4395 0.4 . 1 . . . . . 54 LYS CE . 27581 1 666 . 1 1 54 54 LYS N N 15 122.8249 0.2 . 1 . . . . . 54 LYS N . 27581 1 667 . 1 1 55 55 VAL H H 1 7.43387 0.04 . 1 . . . . . 55 VAL H . 27581 1 668 . 1 1 55 55 VAL HA H 1 5.21788 0.04 . 1 . . . . . 55 VAL HA . 27581 1 669 . 1 1 55 55 VAL HB H 1 1.90402 0.04 . 1 . . . . . 55 VAL HB . 27581 1 670 . 1 1 55 55 VAL HG11 H 1 0.80084 0.04 . 2 . . . . . 55 VAL HG1 . 27581 1 671 . 1 1 55 55 VAL HG12 H 1 0.80084 0.04 . 2 . . . . . 55 VAL HG1 . 27581 1 672 . 1 1 55 55 VAL HG13 H 1 0.80084 0.04 . 2 . . . . . 55 VAL HG1 . 27581 1 673 . 1 1 55 55 VAL HG21 H 1 0.837 0.04 . 2 . . . . . 55 VAL HG2 . 27581 1 674 . 1 1 55 55 VAL HG22 H 1 0.837 0.04 . 2 . . . . . 55 VAL HG2 . 27581 1 675 . 1 1 55 55 VAL HG23 H 1 0.837 0.04 . 2 . . . . . 55 VAL HG2 . 27581 1 676 . 1 1 55 55 VAL C C 13 176.17859 0.4 . 1 . . . . . 55 VAL C . 27581 1 677 . 1 1 55 55 VAL CA C 13 58.81278 0.4 . 1 . . . . . 55 VAL CA . 27581 1 678 . 1 1 55 55 VAL CB C 13 36.18864 0.4 . 1 . . . . . 55 VAL CB . 27581 1 679 . 1 1 55 55 VAL CG1 C 13 20.0638 0.4 . 2 . . . . . 55 VAL CG1 . 27581 1 680 . 1 1 55 55 VAL CG2 C 13 21.12959 0.4 . 2 . . . . . 55 VAL CG2 . 27581 1 681 . 1 1 55 55 VAL N N 15 113.60882 0.2 . 1 . . . . . 55 VAL N . 27581 1 682 . 1 1 56 56 ARG H H 1 7.97724 0.04 . 1 . . . . . 56 ARG H . 27581 1 683 . 1 1 56 56 ARG HA H 1 4.5013 0.04 . 1 . . . . . 56 ARG HA . 27581 1 684 . 1 1 56 56 ARG HB2 H 1 2.08756 0.04 . 2 . . . . . 56 ARG HB2 . 27581 1 685 . 1 1 56 56 ARG HB3 H 1 1.28096 0.04 . 2 . . . . . 56 ARG HB3 . 27581 1 686 . 1 1 56 56 ARG HG2 H 1 1.21817 0.04 . 2 . . . . . 56 ARG HG2 . 27581 1 687 . 1 1 56 56 ARG HG3 H 1 1.96468 0.04 . 2 . . . . . 56 ARG HG3 . 27581 1 688 . 1 1 56 56 ARG HD2 H 1 2.52596 0.04 . 2 . . . . . 56 ARG HD2 . 27581 1 689 . 1 1 56 56 ARG HD3 H 1 3.28805 0.04 . 2 . . . . . 56 ARG HD3 . 27581 1 690 . 1 1 56 56 ARG C C 13 173.22743 0.4 . 1 . . . . . 56 ARG C . 27581 1 691 . 1 1 56 56 ARG CA C 13 54.84375 0.4 . 1 . . . . . 56 ARG CA . 27581 1 692 . 1 1 56 56 ARG CB C 13 36.04737 0.4 . 1 . . . . . 56 ARG CB . 27581 1 693 . 1 1 56 56 ARG CG C 13 28.78941 0.4 . 1 . . . . . 56 ARG CG . 27581 1 694 . 1 1 56 56 ARG CD C 13 43.29038 0.4 . 1 . . . . . 56 ARG CD . 27581 1 695 . 1 1 56 56 ARG N N 15 118.40569 0.2 . 1 . . . . . 56 ARG N . 27581 1 696 . 1 1 57 57 LYS H H 1 8.86959 0.04 . 1 . . . . . 57 LYS H . 27581 1 697 . 1 1 57 57 LYS HA H 1 5.61588 0.04 . 1 . . . . . 57 LYS HA . 27581 1 698 . 1 1 57 57 LYS HB2 H 1 1.59596 0.04 . 2 . . . . . 57 LYS HB2 . 27581 1 699 . 1 1 57 57 LYS HB3 H 1 1.68866 0.04 . 2 . . . . . 57 LYS HB3 . 27581 1 700 . 1 1 57 57 LYS HG2 H 1 1.24284 0.04 . 1 . . . . . 57 LYS HG2 . 27581 1 701 . 1 1 57 57 LYS HG3 H 1 1.24284 0.04 . 1 . . . . . 57 LYS HG3 . 27581 1 702 . 1 1 57 57 LYS HD2 H 1 1.58989 0.04 . 2 . . . . . 57 LYS HD2 . 27581 1 703 . 1 1 57 57 LYS HD3 H 1 1.64453 0.04 . 2 . . . . . 57 LYS HD3 . 27581 1 704 . 1 1 57 57 LYS HE2 H 1 2.901 0.04 . 1 . . . . . 57 LYS HE2 . 27581 1 705 . 1 1 57 57 LYS HE3 H 1 2.901 0.04 . 1 . . . . . 57 LYS HE3 . 27581 1 706 . 1 1 57 57 LYS C C 13 175.25434 0.4 . 1 . . . . . 57 LYS C . 27581 1 707 . 1 1 57 57 LYS CA C 13 54.40051 0.4 . 1 . . . . . 57 LYS CA . 27581 1 708 . 1 1 57 57 LYS CB C 13 36.99104 0.4 . 1 . . . . . 57 LYS CB . 27581 1 709 . 1 1 57 57 LYS CG C 13 25.0687 0.4 . 1 . . . . . 57 LYS CG . 27581 1 710 . 1 1 57 57 LYS CD C 13 29.73679 0.4 . 1 . . . . . 57 LYS CD . 27581 1 711 . 1 1 57 57 LYS CE C 13 41.72681 0.4 . 1 . . . . . 57 LYS CE . 27581 1 712 . 1 1 57 57 LYS N N 15 121.9442 0.2 . 1 . . . . . 57 LYS N . 27581 1 713 . 1 1 58 58 CYS H H 1 8.57707 0.04 . 1 . . . . . 58 CYS H . 27581 1 714 . 1 1 58 58 CYS HA H 1 3.96855 0.04 . 1 . . . . . 58 CYS HA . 27581 1 715 . 1 1 58 58 CYS HB2 H 1 1.63441 0.04 . 2 . . . . . 58 CYS HB2 . 27581 1 716 . 1 1 58 58 CYS HB3 H 1 2.46539 0.04 . 2 . . . . . 58 CYS HB3 . 27581 1 717 . 1 1 58 58 CYS C C 13 174.96269 0.4 . 1 . . . . . 58 CYS C . 27581 1 718 . 1 1 58 58 CYS CA C 13 54.85901 0.4 . 1 . . . . . 58 CYS CA . 27581 1 719 . 1 1 58 58 CYS CB C 13 35.61291 0.4 . 1 . . . . . 58 CYS CB . 27581 1 720 . 1 1 58 58 CYS N N 15 123.61283 0.2 . 1 . . . . . 58 CYS N . 27581 1 721 . 1 1 59 59 LEU H H 1 8.74853 0.04 . 1 . . . . . 59 LEU H . 27581 1 722 . 1 1 59 59 LEU HA H 1 4.40692 0.04 . 1 . . . . . 59 LEU HA . 27581 1 723 . 1 1 59 59 LEU HB2 H 1 1.33003 0.04 . 2 . . . . . 59 LEU HB2 . 27581 1 724 . 1 1 59 59 LEU HB3 H 1 2.34339 0.04 . 2 . . . . . 59 LEU HB3 . 27581 1 725 . 1 1 59 59 LEU HG H 1 1.70851 0.04 . 1 . . . . . 59 LEU HG . 27581 1 726 . 1 1 59 59 LEU HD11 H 1 0.6928 0.04 . 2 . . . . . 59 LEU HD1* . 27581 1 727 . 1 1 59 59 LEU HD12 H 1 0.6928 0.04 . 2 . . . . . 59 LEU HD1* . 27581 1 728 . 1 1 59 59 LEU HD13 H 1 0.6928 0.04 . 2 . . . . . 59 LEU HD1* . 27581 1 729 . 1 1 59 59 LEU HD21 H 1 0.74022 0.04 . 2 . . . . . 59 LEU HD2* . 27581 1 730 . 1 1 59 59 LEU HD22 H 1 0.74022 0.04 . 2 . . . . . 59 LEU HD2* . 27581 1 731 . 1 1 59 59 LEU HD23 H 1 0.74022 0.04 . 2 . . . . . 59 LEU HD2* . 27581 1 732 . 1 1 59 59 LEU C C 13 177.84706 0.4 . 1 . . . . . 59 LEU C . 27581 1 733 . 1 1 59 59 LEU CA C 13 54.34394 0.4 . 1 . . . . . 59 LEU CA . 27581 1 734 . 1 1 59 59 LEU CB C 13 43.08955 0.4 . 1 . . . . . 59 LEU CB . 27581 1 735 . 1 1 59 59 LEU CG C 13 26.39851 0.4 . 1 . . . . . 59 LEU CG . 27581 1 736 . 1 1 59 59 LEU CD1 C 13 24.93543 0.4 . 2 . . . . . 59 LEU CD1 . 27581 1 737 . 1 1 59 59 LEU CD2 C 13 21.92563 0.4 . 2 . . . . . 59 LEU CD2 . 27581 1 738 . 1 1 59 59 LEU N N 15 112.97345 0.2 . 1 . . . . . 59 LEU N . 27581 1 739 . 1 1 60 60 ALA H H 1 8.38668 0.04 . 1 . . . . . 60 ALA H . 27581 1 740 . 1 1 60 60 ALA HA H 1 3.90285 0.04 . 1 . . . . . 60 ALA HA . 27581 1 741 . 1 1 60 60 ALA HB1 H 1 1.32999 0.04 . 1 . . . . . 60 ALA HB* . 27581 1 742 . 1 1 60 60 ALA HB2 H 1 1.32999 0.04 . 1 . . . . . 60 ALA HB* . 27581 1 743 . 1 1 60 60 ALA HB3 H 1 1.32999 0.04 . 1 . . . . . 60 ALA HB* . 27581 1 744 . 1 1 60 60 ALA C C 13 177.68134 0.4 . 1 . . . . . 60 ALA C . 27581 1 745 . 1 1 60 60 ALA CA C 13 54.32947 0.4 . 1 . . . . . 60 ALA CA . 27581 1 746 . 1 1 60 60 ALA CB C 13 18.05391 0.4 . 1 . . . . . 60 ALA CB . 27581 1 747 . 1 1 60 60 ALA N N 15 119.98881 0.2 . 1 . . . . . 60 ALA N . 27581 1 748 . 1 1 61 61 ASN H H 1 7.39382 0.04 . 1 . . . . . 61 ASN H . 27581 1 749 . 1 1 61 61 ASN HA H 1 4.47188 0.04 . 1 . . . . . 61 ASN HA . 27581 1 750 . 1 1 61 61 ASN HB2 H 1 2.66755 0.04 . 2 . . . . . 61 ASN HB2 . 27581 1 751 . 1 1 61 61 ASN HB3 H 1 3.16131 0.04 . 2 . . . . . 61 ASN HB3 . 27581 1 752 . 1 1 61 61 ASN HD21 H 1 6.55748 0.04 . 2 . . . . . 61 ASN HD21 . 27581 1 753 . 1 1 61 61 ASN HD22 H 1 7.31906 0.04 . 2 . . . . . 61 ASN HD22 . 27581 1 754 . 1 1 61 61 ASN C C 13 176.77903 0.4 . 1 . . . . . 61 ASN C . 27581 1 755 . 1 1 61 61 ASN CA C 13 52.46811 0.4 . 1 . . . . . 61 ASN CA . 27581 1 756 . 1 1 61 61 ASN CB C 13 37.03703 0.4 . 1 . . . . . 61 ASN CB . 27581 1 757 . 1 1 61 61 ASN N N 15 112.60333 0.2 . 1 . . . . . 61 ASN N . 27581 1 758 . 1 1 61 61 ASN ND2 N 15 108.17596 0.2 . 1 . . . . . 61 ASN ND2 . 27581 1 759 . 1 1 62 62 GLY H H 1 8.27074 0.04 . 1 . . . . . 62 GLY H . 27581 1 760 . 1 1 62 62 GLY HA2 H 1 3.60041 0.04 . 2 . . . . . 62 GLY HA2 . 27581 1 761 . 1 1 62 62 GLY HA3 H 1 4.0777 0.04 . 2 . . . . . 62 GLY HA3 . 27581 1 762 . 1 1 62 62 GLY C C 13 173.70845 0.4 . 1 . . . . . 62 GLY C . 27581 1 763 . 1 1 62 62 GLY CA C 13 46.04845 0.4 . 1 . . . . . 62 GLY CA . 27581 1 764 . 1 1 62 62 GLY N N 15 109.65829 0.2 . 1 . . . . . 62 GLY N . 27581 1 765 . 1 1 63 63 SER H H 1 7.662 0.04 . 1 . . . . . 63 SER H . 27581 1 766 . 1 1 63 63 SER HA H 1 4.71828 0.04 . 1 . . . . . 63 SER HA . 27581 1 767 . 1 1 63 63 SER HB2 H 1 3.82912 0.04 . 1 . . . . . 63 SER HB2 . 27581 1 768 . 1 1 63 63 SER HB3 H 1 3.82912 0.04 . 1 . . . . . 63 SER HB3 . 27581 1 769 . 1 1 63 63 SER C C 13 172.1492 0.4 . 1 . . . . . 63 SER C . 27581 1 770 . 1 1 63 63 SER CA C 13 56.80043 0.4 . 1 . . . . . 63 SER CA . 27581 1 771 . 1 1 63 63 SER CB C 13 65.38299 0.4 . 1 . . . . . 63 SER CB . 27581 1 772 . 1 1 63 63 SER N N 15 116.33496 0.2 . 1 . . . . . 63 SER N . 27581 1 773 . 1 1 64 64 TRP H H 1 8.04758 0.04 . 1 . . . . . 64 TRP H . 27581 1 774 . 1 1 64 64 TRP HA H 1 5.20384 0.04 . 1 . . . . . 64 TRP HA . 27581 1 775 . 1 1 64 64 TRP HB2 H 1 3.13049 0.04 . 1 . . . . . 64 TRP HB2 . 27581 1 776 . 1 1 64 64 TRP HB3 H 1 3.13049 0.04 . 1 . . . . . 64 TRP HB3 . 27581 1 777 . 1 1 64 64 TRP HD1 H 1 7.331 0.04 . 1 . . . . . 64 TRP HD1 . 27581 1 778 . 1 1 64 64 TRP HE1 H 1 10.7068 0.04 . 1 . . . . . 64 TRP HE1 . 27581 1 779 . 1 1 64 64 TRP HE3 H 1 7.07112 0.04 . 1 . . . . . 64 TRP HE3 . 27581 1 780 . 1 1 64 64 TRP HZ2 H 1 7.21766 0.04 . 1 . . . . . 64 TRP HZ2 . 27581 1 781 . 1 1 64 64 TRP HH2 H 1 6.96799 0.04 . 1 . . . . . 64 TRP HH2 . 27581 1 782 . 1 1 64 64 TRP C C 13 177.94856 0.4 . 1 . . . . . 64 TRP C . 27581 1 783 . 1 1 64 64 TRP CA C 13 56.17606 0.4 . 1 . . . . . 64 TRP CA . 27581 1 784 . 1 1 64 64 TRP CB C 13 31.52073 0.4 . 1 . . . . . 64 TRP CB . 27581 1 785 . 1 1 64 64 TRP CD1 C 13 127.51596 0.4 . 1 . . . . . 64 TRP CD1 . 27581 1 786 . 1 1 64 64 TRP CE3 C 13 119.87371 0.4 . 1 . . . . . 64 TRP CE3 . 27581 1 787 . 1 1 64 64 TRP CZ2 C 13 113.63842 0.4 . 1 . . . . . 64 TRP CZ2 . 27581 1 788 . 1 1 64 64 TRP CH2 C 13 123.01435 0.4 . 1 . . . . . 64 TRP CH2 . 27581 1 789 . 1 1 64 64 TRP N N 15 121.69386 0.2 . 1 . . . . . 64 TRP N . 27581 1 790 . 1 1 64 64 TRP NE1 N 15 130.94 0.2 . 1 . . . . . 64 TRP NE1 . 27581 1 791 . 1 1 65 65 THR H H 1 8.58107 0.04 . 1 . . . . . 65 THR H . 27581 1 792 . 1 1 65 65 THR HA H 1 4.10843 0.04 . 1 . . . . . 65 THR HA . 27581 1 793 . 1 1 65 65 THR HB H 1 4.36535 0.04 . 1 . . . . . 65 THR HB . 27581 1 794 . 1 1 65 65 THR HG21 H 1 1.53429 0.04 . 1 . . . . . 65 THR HG2* . 27581 1 795 . 1 1 65 65 THR HG22 H 1 1.53429 0.04 . 1 . . . . . 65 THR HG2* . 27581 1 796 . 1 1 65 65 THR HG23 H 1 1.53429 0.04 . 1 . . . . . 65 THR HG2* . 27581 1 797 . 1 1 65 65 THR C C 13 174.50198 0.4 . 1 . . . . . 65 THR C . 27581 1 798 . 1 1 65 65 THR CA C 13 62.90951 0.4 . 1 . . . . . 65 THR CA . 27581 1 799 . 1 1 65 65 THR CB C 13 70.30376 0.4 . 1 . . . . . 65 THR CB . 27581 1 800 . 1 1 65 65 THR CG2 C 13 24.17836 0.4 . 1 . . . . . 65 THR CG2 . 27581 1 801 . 1 1 65 65 THR N N 15 111.3984 0.2 . 1 . . . . . 65 THR N . 27581 1 802 . 1 1 66 66 ASP H H 1 8.80858 0.04 . 1 . . . . . 66 ASP H . 27581 1 803 . 1 1 66 66 ASP HA H 1 4.44123 0.04 . 1 . . . . . 66 ASP HA . 27581 1 804 . 1 1 66 66 ASP HB2 H 1 2.96515 0.04 . 2 . . . . . 66 ASP HB2 . 27581 1 805 . 1 1 66 66 ASP HB3 H 1 2.67817 0.04 . 2 . . . . . 66 ASP HB3 . 27581 1 806 . 1 1 66 66 ASP C C 13 178.29207 0.4 . 1 . . . . . 66 ASP C . 27581 1 807 . 1 1 66 66 ASP CA C 13 55.67506 0.4 . 1 . . . . . 66 ASP CA . 27581 1 808 . 1 1 66 66 ASP CB C 13 39.84359 0.4 . 1 . . . . . 66 ASP CB . 27581 1 809 . 1 1 66 66 ASP N N 15 115.06862 0.2 . 1 . . . . . 66 ASP N . 27581 1 810 . 1 1 67 67 MET H H 1 8.03859 0.04 . 1 . . . . . 67 MET H . 27581 1 811 . 1 1 67 67 MET HA H 1 4.13593 0.04 . 1 . . . . . 67 MET HA . 27581 1 812 . 1 1 67 67 MET HB2 H 1 2.18539 0.04 . 1 . . . . . 67 MET HB2 . 27581 1 813 . 1 1 67 67 MET HB3 H 1 2.18539 0.04 . 1 . . . . . 67 MET HB3 . 27581 1 814 . 1 1 67 67 MET HG2 H 1 2.69938 0.04 . 2 . . . . . 67 MET HG2 . 27581 1 815 . 1 1 67 67 MET HG3 H 1 2.78173 0.04 . 2 . . . . . 67 MET HG3 . 27581 1 816 . 1 1 67 67 MET HE1 H 1 2.1109 0.04 . 1 . . . . . 67 MET HE* . 27581 1 817 . 1 1 67 67 MET HE2 H 1 2.1109 0.04 . 1 . . . . . 67 MET HE* . 27581 1 818 . 1 1 67 67 MET HE3 H 1 2.1109 0.04 . 1 . . . . . 67 MET HE* . 27581 1 819 . 1 1 67 67 MET C C 13 176.52378 0.4 . 1 . . . . . 67 MET C . 27581 1 820 . 1 1 67 67 MET CA C 13 57.61813 0.4 . 1 . . . . . 67 MET CA . 27581 1 821 . 1 1 67 67 MET CB C 13 31.64563 0.4 . 1 . . . . . 67 MET CB . 27581 1 822 . 1 1 67 67 MET CG C 13 32.94004 0.4 . 1 . . . . . 67 MET CG . 27581 1 823 . 1 1 67 67 MET CE C 13 17.04969 0.4 . 1 . . . . . 67 MET CE . 27581 1 824 . 1 1 67 67 MET N N 15 117.83343 0.2 . 1 . . . . . 67 MET N . 27581 1 825 . 1 1 68 68 ASP H H 1 8.49729 0.04 . 1 . . . . . 68 ASP H . 27581 1 826 . 1 1 68 68 ASP HA H 1 4.47688 0.04 . 1 . . . . . 68 ASP HA . 27581 1 827 . 1 1 68 68 ASP HB2 H 1 2.68961 0.04 . 2 . . . . . 68 ASP HB2 . 27581 1 828 . 1 1 68 68 ASP HB3 H 1 2.66963 0.04 . 2 . . . . . 68 ASP HB3 . 27581 1 829 . 1 1 68 68 ASP C C 13 175.94433 0.4 . 1 . . . . . 68 ASP C . 27581 1 830 . 1 1 68 68 ASP CA C 13 54.85695 0.4 . 1 . . . . . 68 ASP CA . 27581 1 831 . 1 1 68 68 ASP CB C 13 40.3155 0.4 . 1 . . . . . 68 ASP CB . 27581 1 832 . 1 1 68 68 ASP N N 15 116.31299 0.2 . 1 . . . . . 68 ASP N . 27581 1 833 . 1 1 69 69 THR H H 1 8.09714 0.04 . 1 . . . . . 69 THR H . 27581 1 834 . 1 1 69 69 THR HA H 1 4.69717 0.04 . 1 . . . . . 69 THR HA . 27581 1 835 . 1 1 69 69 THR HB H 1 3.98445 0.04 . 1 . . . . . 69 THR HB . 27581 1 836 . 1 1 69 69 THR HG21 H 1 1.20445 0.04 . 1 . . . . . 69 THR HG2* . 27581 1 837 . 1 1 69 69 THR HG22 H 1 1.20445 0.04 . 1 . . . . . 69 THR HG2* . 27581 1 838 . 1 1 69 69 THR HG23 H 1 1.20445 0.04 . 1 . . . . . 69 THR HG2* . 27581 1 839 . 1 1 69 69 THR C C 13 171.63273 0.4 . 1 . . . . . 69 THR C . 27581 1 840 . 1 1 69 69 THR CA C 13 59.26811 0.4 . 1 . . . . . 69 THR CA . 27581 1 841 . 1 1 69 69 THR CB C 13 70.36247 0.4 . 1 . . . . . 69 THR CB . 27581 1 842 . 1 1 69 69 THR CG2 C 13 21.52857 0.4 . 1 . . . . . 69 THR CG2 . 27581 1 843 . 1 1 69 69 THR N N 15 118.04648 0.2 . 1 . . . . . 69 THR N . 27581 1 844 . 1 1 70 70 PRO HA H 1 4.28708 0.04 . 1 . . . . . 70 PRO HA . 27581 1 845 . 1 1 70 70 PRO HB2 H 1 1.60303 0.04 . 2 . . . . . 70 PRO HB2 . 27581 1 846 . 1 1 70 70 PRO HB3 H 1 2.17258 0.04 . 2 . . . . . 70 PRO HB3 . 27581 1 847 . 1 1 70 70 PRO HG2 H 1 1.83037 0.04 . 2 . . . . . 70 PRO HG2 . 27581 1 848 . 1 1 70 70 PRO HG3 H 1 1.89048 0.04 . 2 . . . . . 70 PRO HG3 . 27581 1 849 . 1 1 70 70 PRO HD2 H 1 3.73178 0.04 . 1 . . . . . 70 PRO HD2 . 27581 1 850 . 1 1 70 70 PRO HD3 H 1 3.73178 0.04 . 1 . . . . . 70 PRO HD3 . 27581 1 851 . 1 1 70 70 PRO C C 13 175.60516 0.4 . 1 . . . . . 70 PRO C . 27581 1 852 . 1 1 70 70 PRO CA C 13 62.49812 0.4 . 1 . . . . . 70 PRO CA . 27581 1 853 . 1 1 70 70 PRO CB C 13 32.8652 0.4 . 1 . . . . . 70 PRO CB . 27581 1 854 . 1 1 70 70 PRO CG C 13 26.72138 0.4 . 1 . . . . . 70 PRO CG . 27581 1 855 . 1 1 70 70 PRO CD C 13 51.22659 0.4 . 1 . . . . . 70 PRO CD . 27581 1 856 . 1 1 71 71 SER H H 1 7.862 0.04 . 1 . . . . . 71 SER H . 27581 1 857 . 1 1 71 71 SER HA H 1 5.01406 0.04 . 1 . . . . . 71 SER HA . 27581 1 858 . 1 1 71 71 SER HB2 H 1 2.4081 0.04 . 2 . . . . . 71 SER HB2 . 27581 1 859 . 1 1 71 71 SER HB3 H 1 2.58428 0.04 . 2 . . . . . 71 SER HB3 . 27581 1 860 . 1 1 71 71 SER C C 13 173.35288 0.4 . 1 . . . . . 71 SER C . 27581 1 861 . 1 1 71 71 SER CA C 13 57.85724 0.4 . 1 . . . . . 71 SER CA . 27581 1 862 . 1 1 71 71 SER CB C 13 62.76329 0.4 . 1 . . . . . 71 SER CB . 27581 1 863 . 1 1 71 71 SER N N 15 116.87409 0.2 . 1 . . . . . 71 SER N . 27581 1 864 . 1 1 72 72 ARG H H 1 8.71553 0.04 . 1 . . . . . 72 ARG H . 27581 1 865 . 1 1 72 72 ARG HA H 1 4.5468 0.04 . 1 . . . . . 72 ARG HA . 27581 1 866 . 1 1 72 72 ARG HB2 H 1 1.52099 0.04 . 2 . . . . . 72 ARG HB2 . 27581 1 867 . 1 1 72 72 ARG HB3 H 1 1.74696 0.04 . 2 . . . . . 72 ARG HB3 . 27581 1 868 . 1 1 72 72 ARG HG2 H 1 1.26739 0.04 . 2 . . . . . 72 ARG HG2 . 27581 1 869 . 1 1 72 72 ARG HG3 H 1 1.46352 0.04 . 2 . . . . . 72 ARG HG3 . 27581 1 870 . 1 1 72 72 ARG HD2 H 1 3.01667 0.04 . 1 . . . . . 72 ARG HD2 . 27581 1 871 . 1 1 72 72 ARG HD3 H 1 3.01667 0.04 . 1 . . . . . 72 ARG HD3 . 27581 1 872 . 1 1 72 72 ARG C C 13 173.8294 0.4 . 1 . . . . . 72 ARG C . 27581 1 873 . 1 1 72 72 ARG CA C 13 54.35195 0.4 . 1 . . . . . 72 ARG CA . 27581 1 874 . 1 1 72 72 ARG CB C 13 34.17617 0.4 . 1 . . . . . 72 ARG CB . 27581 1 875 . 1 1 72 72 ARG CG C 13 27.03567 0.4 . 1 . . . . . 72 ARG CG . 27581 1 876 . 1 1 72 72 ARG CD C 13 43.64152 0.4 . 1 . . . . . 72 ARG CD . 27581 1 877 . 1 1 72 72 ARG N N 15 121.15302 0.2 . 1 . . . . . 72 ARG N . 27581 1 878 . 1 1 73 73 CYS H H 1 9.04441 0.04 . 1 . . . . . 73 CYS H . 27581 1 879 . 1 1 73 73 CYS HA H 1 5.13339 0.04 . 1 . . . . . 73 CYS HA . 27581 1 880 . 1 1 73 73 CYS HB2 H 1 2.64618 0.04 . 2 . . . . . 73 CYS HB2 . 27581 1 881 . 1 1 73 73 CYS HB3 H 1 2.80899 0.04 . 2 . . . . . 73 CYS HB3 . 27581 1 882 . 1 1 73 73 CYS C C 13 174.87366 0.4 . 1 . . . . . 73 CYS C . 27581 1 883 . 1 1 73 73 CYS CA C 13 55.28123 0.4 . 1 . . . . . 73 CYS CA . 27581 1 884 . 1 1 73 73 CYS CB C 13 42.21554 0.4 . 1 . . . . . 73 CYS CB . 27581 1 885 . 1 1 73 73 CYS N N 15 118.9745 0.2 . 1 . . . . . 73 CYS N . 27581 1 886 . 1 1 74 74 VAL H H 1 8.71942 0.04 . 1 . . . . . 74 VAL H . 27581 1 887 . 1 1 74 74 VAL HA H 1 4.36458 0.04 . 1 . . . . . 74 VAL HA . 27581 1 888 . 1 1 74 74 VAL HB H 1 2.05307 0.04 . 1 . . . . . 74 VAL HB . 27581 1 889 . 1 1 74 74 VAL HG11 H 1 0.82355 0.04 . 2 . . . . . 74 VAL HG1 . 27581 1 890 . 1 1 74 74 VAL HG12 H 1 0.82355 0.04 . 2 . . . . . 74 VAL HG1 . 27581 1 891 . 1 1 74 74 VAL HG13 H 1 0.82355 0.04 . 2 . . . . . 74 VAL HG1 . 27581 1 892 . 1 1 74 74 VAL HG21 H 1 0.88386 0.04 . 2 . . . . . 74 VAL HG2 . 27581 1 893 . 1 1 74 74 VAL HG22 H 1 0.88386 0.04 . 2 . . . . . 74 VAL HG2 . 27581 1 894 . 1 1 74 74 VAL HG23 H 1 0.88386 0.04 . 2 . . . . . 74 VAL HG2 . 27581 1 895 . 1 1 74 74 VAL C C 13 174.64747 0.4 . 1 . . . . . 74 VAL C . 27581 1 896 . 1 1 74 74 VAL CA C 13 61.27756 0.4 . 1 . . . . . 74 VAL CA . 27581 1 897 . 1 1 74 74 VAL CB C 13 35.01746 0.4 . 1 . . . . . 74 VAL CB . 27581 1 898 . 1 1 74 74 VAL CG1 C 13 20.58198 0.4 . 2 . . . . . 74 VAL CG1 . 27581 1 899 . 1 1 74 74 VAL CG2 C 13 21.38183 0.4 . 2 . . . . . 74 VAL CG2 . 27581 1 900 . 1 1 74 74 VAL N N 15 122.30077 0.2 . 1 . . . . . 74 VAL N . 27581 1 901 . 1 1 75 75 ARG H H 1 8.13932 0.04 . 1 . . . . . 75 ARG H . 27581 1 902 . 1 1 75 75 ARG HA H 1 4.13605 0.04 . 1 . . . . . 75 ARG HA . 27581 1 903 . 1 1 75 75 ARG HB2 H 1 1.64962 0.04 . 2 . . . . . 75 ARG HB2 . 27581 1 904 . 1 1 75 75 ARG HB3 H 1 1.72038 0.04 . 2 . . . . . 75 ARG HB3 . 27581 1 905 . 1 1 75 75 ARG HG2 H 1 1.54864 0.04 . 1 . . . . . 75 ARG HG2 . 27581 1 906 . 1 1 75 75 ARG HG3 H 1 1.54864 0.04 . 1 . . . . . 75 ARG HG3 . 27581 1 907 . 1 1 75 75 ARG HD2 H 1 3.08511 0.04 . 1 . . . . . 75 ARG HD2 . 27581 1 908 . 1 1 75 75 ARG HD3 H 1 3.08511 0.04 . 1 . . . . . 75 ARG HD3 . 27581 1 909 . 1 1 75 75 ARG C C 13 180.67727 0.4 . 1 . . . . . 75 ARG C . 27581 1 910 . 1 1 75 75 ARG CA C 13 58.06391 0.4 . 1 . . . . . 75 ARG CA . 27581 1 911 . 1 1 75 75 ARG CB C 13 31.47584 0.4 . 1 . . . . . 75 ARG CB . 27581 1 912 . 1 1 75 75 ARG CG C 13 27.42035 0.4 . 1 . . . . . 75 ARG CG . 27581 1 913 . 1 1 75 75 ARG CD C 13 43.44255 0.4 . 1 . . . . . 75 ARG CD . 27581 1 914 . 1 1 75 75 ARG N N 15 109.10489 0.2 . 1 . . . . . 75 ARG N . 27581 1 stop_ save_