data_16570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16570 _Entry.Title ; NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-20 _Entry.Accession_date 2009-10-20 _Entry.Last_release_date 2012-01-24 _Entry.Original_release_date 2012-01-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'structure of fragment 32-118 of the full length protein (437 residues)' _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.Entry_ID 1 John Cort . R. . 16570 2 Theresa Ramelot . A. . 16570 3 Yunhuang Yang . . . 16570 4 Rachel Belote . L. . 16570 5 Colleen Ciccosanti . . . 16570 6 Janjua Haleema . . . 16570 7 Thomas Acton . B. . 16570 8 Rong Xiao . . . 16570 9 John Everett . K. . 16570 10 Gaetano Montelione . T. . 16570 11 Michael Kennedy . A. . 16570 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16570 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 16570 '15N chemical shifts' 94 16570 '1H chemical shifts' 662 16570 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 . . 2012-01-24 2009-10-20 original author . 16570 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPS . 16570 PDB 2KPU 'BMRB Entry Tracking System' 16570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21154411 _Citation.Full_citation . _Citation.Title 'Structures of domains I and IV from YbbR are representative of a widely distributed protein family' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 396 _Citation.Page_last 405 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Adam Barb . W. . 16570 1 2 John Cort . R. . 16570 1 3 Jayaraman Seetharaman . . . 16570 1 4 Scott Lew . . . 16570 1 5 Hsiau-Wei Lee . . . 16570 1 6 Thomas Acton . . . 16570 1 7 Rong Xiao . . . 16570 1 8 Michael Kennedy . A. . 16570 1 9 Liang Tong . . . 16570 1 10 Gaetano Montelione . T. . 16570 1 11 James Prestegard . H. . 16570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16570 _Assembly.ID 1 _Assembly.Name 'YbbR family protein Dhaf_0833' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Dhaf_0833 1 $entity A . yes native no no . . . 16570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dhaf_0833 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSQTLDRDPTLTLSLIAKNT PANSMIMTKLPSVRVKTEGY NPSINVNELFAYVDLSGSEP GEHDYEVKVEPIPNIKIVEI SPRVVTLQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'resiudes 2-88 of the structure correspnd with residues 32-118 of the full length Dhaf_0833 protein (437 residues)' _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10782 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KPU . "Nmr Structure Of Ybbr Family Protein Dhaf_0833 (Residues 32-118) From Desulfitobacterium Hafniense Dcb-2: Northeast Structural " . . . . . 100.00 96 100.00 100.00 2.03e-61 . . . . 16570 1 2 no PDB 2L5N . "Nmr Structure Of Ybbr Family Protein Dhaf_0833 (Residues 32-118) From Desulfitobacterium Hafniense Dcb-2: Northeast Structural " . . . . . 100.00 96 100.00 100.00 2.03e-61 . . . . 16570 1 3 no PDB 3LYW . "Crystal Structure Of Ybbr Family Protein Dhaf_0833 From Desulfitobacterium Hafniense Dcb-2. Northeast Structural Genomics Conso" . . . . . 93.75 90 97.78 97.78 9.44e-55 . . . . 16570 1 4 no GB ACL18896 . "YbbR family protein [Desulfitobacterium hafniense DCB-2]" . . . . . 92.71 437 98.88 100.00 1.43e-51 . . . . 16570 1 5 no REF WP_015943054 . "hypothetical protein [Desulfitobacterium hafniense]" . . . . . 92.71 437 98.88 100.00 1.43e-51 . . . . 16570 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function' 16570 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 16570 1 2 . SER . 16570 1 3 . GLN . 16570 1 4 . THR . 16570 1 5 . LEU . 16570 1 6 . ASP . 16570 1 7 . ARG . 16570 1 8 . ASP . 16570 1 9 . PRO . 16570 1 10 . THR . 16570 1 11 . LEU . 16570 1 12 . THR . 16570 1 13 . LEU . 16570 1 14 . SER . 16570 1 15 . LEU . 16570 1 16 . ILE . 16570 1 17 . ALA . 16570 1 18 . LYS . 16570 1 19 . ASN . 16570 1 20 . THR . 16570 1 21 . PRO . 16570 1 22 . ALA . 16570 1 23 . ASN . 16570 1 24 . SER . 16570 1 25 . MET . 16570 1 26 . ILE . 16570 1 27 . MET . 16570 1 28 . THR . 16570 1 29 . LYS . 16570 1 30 . LEU . 16570 1 31 . PRO . 16570 1 32 . SER . 16570 1 33 . VAL . 16570 1 34 . ARG . 16570 1 35 . VAL . 16570 1 36 . LYS . 16570 1 37 . THR . 16570 1 38 . GLU . 16570 1 39 . GLY . 16570 1 40 . TYR . 16570 1 41 . ASN . 16570 1 42 . PRO . 16570 1 43 . SER . 16570 1 44 . ILE . 16570 1 45 . ASN . 16570 1 46 . VAL . 16570 1 47 . ASN . 16570 1 48 . GLU . 16570 1 49 . LEU . 16570 1 50 . PHE . 16570 1 51 . ALA . 16570 1 52 . TYR . 16570 1 53 . VAL . 16570 1 54 . ASP . 16570 1 55 . LEU . 16570 1 56 . SER . 16570 1 57 . GLY . 16570 1 58 . SER . 16570 1 59 . GLU . 16570 1 60 . PRO . 16570 1 61 . GLY . 16570 1 62 . GLU . 16570 1 63 . HIS . 16570 1 64 . ASP . 16570 1 65 . TYR . 16570 1 66 . GLU . 16570 1 67 . VAL . 16570 1 68 . LYS . 16570 1 69 . VAL . 16570 1 70 . GLU . 16570 1 71 . PRO . 16570 1 72 . ILE . 16570 1 73 . PRO . 16570 1 74 . ASN . 16570 1 75 . ILE . 16570 1 76 . LYS . 16570 1 77 . ILE . 16570 1 78 . VAL . 16570 1 79 . GLU . 16570 1 80 . ILE . 16570 1 81 . SER . 16570 1 82 . PRO . 16570 1 83 . ARG . 16570 1 84 . VAL . 16570 1 85 . VAL . 16570 1 86 . THR . 16570 1 87 . LEU . 16570 1 88 . GLN . 16570 1 89 . LEU . 16570 1 90 . GLU . 16570 1 91 . HIS . 16570 1 92 . HIS . 16570 1 93 . HIS . 16570 1 94 . HIS . 16570 1 95 . HIS . 16570 1 96 . HIS . 16570 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 . SER 1 1 16570 1 . SER 2 2 16570 1 . GLN 3 3 16570 1 . THR 4 4 16570 1 . LEU 5 5 16570 1 . ASP 6 6 16570 1 . ARG 7 7 16570 1 . ASP 8 8 16570 1 . PRO 9 9 16570 1 . THR 10 10 16570 1 . LEU 11 11 16570 1 . THR 12 12 16570 1 . LEU 13 13 16570 1 . SER 14 14 16570 1 . LEU 15 15 16570 1 . ILE 16 16 16570 1 . ALA 17 17 16570 1 . LYS 18 18 16570 1 . ASN 19 19 16570 1 . THR 20 20 16570 1 . PRO 21 21 16570 1 . ALA 22 22 16570 1 . ASN 23 23 16570 1 . SER 24 24 16570 1 . MET 25 25 16570 1 . ILE 26 26 16570 1 . MET 27 27 16570 1 . THR 28 28 16570 1 . LYS 29 29 16570 1 . LEU 30 30 16570 1 . PRO 31 31 16570 1 . SER 32 32 16570 1 . VAL 33 33 16570 1 . ARG 34 34 16570 1 . VAL 35 35 16570 1 . LYS 36 36 16570 1 . THR 37 37 16570 1 . GLU 38 38 16570 1 . GLY 39 39 16570 1 . TYR 40 40 16570 1 . ASN 41 41 16570 1 . PRO 42 42 16570 1 . SER 43 43 16570 1 . ILE 44 44 16570 1 . ASN 45 45 16570 1 . VAL 46 46 16570 1 . ASN 47 47 16570 1 . GLU 48 48 16570 1 . LEU 49 49 16570 1 . PHE 50 50 16570 1 . ALA 51 51 16570 1 . TYR 52 52 16570 1 . VAL 53 53 16570 1 . ASP 54 54 16570 1 . LEU 55 55 16570 1 . SER 56 56 16570 1 . GLY 57 57 16570 1 . SER 58 58 16570 1 . GLU 59 59 16570 1 . PRO 60 60 16570 1 . GLY 61 61 16570 1 . GLU 62 62 16570 1 . HIS 63 63 16570 1 . ASP 64 64 16570 1 . TYR 65 65 16570 1 . GLU 66 66 16570 1 . VAL 67 67 16570 1 . LYS 68 68 16570 1 . VAL 69 69 16570 1 . GLU 70 70 16570 1 . PRO 71 71 16570 1 . ILE 72 72 16570 1 . PRO 73 73 16570 1 . ASN 74 74 16570 1 . ILE 75 75 16570 1 . LYS 76 76 16570 1 . ILE 77 77 16570 1 . VAL 78 78 16570 1 . GLU 79 79 16570 1 . ILE 80 80 16570 1 . SER 81 81 16570 1 . PRO 82 82 16570 1 . ARG 83 83 16570 1 . VAL 84 84 16570 1 . VAL 85 85 16570 1 . THR 86 86 16570 1 . LEU 87 87 16570 1 . GLN 88 88 16570 1 . LEU 89 89 16570 1 . GLU 90 90 16570 1 . HIS 91 91 16570 1 . HIS 92 92 16570 1 . HIS 93 93 16570 1 . HIS 94 94 16570 1 . HIS 95 95 16570 1 . HIS 96 96 16570 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16570 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 49338 organism . 'Desulfitobacterium hafniense' 'Desulfitobacterium hafniense' . . Eubacteria . Desulfitobacterium hafniense DCB-2 . . . . . . . . . . . . . . . 'Dhaf_0833 (32-118)' . . . . 16570 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 16570 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21-23C . . . . . . 16570 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16570 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Dhaf_0833 (32-118)' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 16570 1 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16570 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16570 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16570 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16570 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16570 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16570 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16570 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dhaf_0833 (32-118)' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 16570 2 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16570 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16570 2 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16570 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16570 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16570 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16570 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Dhaf_0833 (32-118)' '[5% 13C from 5% U-13C glucose in growth medium; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 16570 3 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16570 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16570 3 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16570 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16570 3 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16570 3 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16570 3 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 16570 _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' 0.23 . M 16570 1 pH 4.5 . pH 16570 1 pressure 1 . atm 16570 1 temperature 293 . K 16570 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16570 _Software.ID 1 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16570 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16570 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16570 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16570 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16570 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16570 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16570 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16570 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16570 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16570 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16570 _Software.ID 5 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16570 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16570 5 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16570 _Software.ID 6 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16570 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16570 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16570 _Software.ID 7 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16570 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16570 7 'peak picking' 16570 7 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 16570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16570 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16570 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16570 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16570 1 2 spectrometer_2 Varian INOVA . 750 . . . 16570 1 3 spectrometer_3 Bruker Avance . 850 . . . 16570 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 16570 _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 . . . . . . . . . . . . . . . . . . . . . 16570 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 1 11 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16570 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 16570 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16570 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16570 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16570 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 16570 _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' . . . 16570 1 2 '2D 1H-13C HSQC' . . . 16570 1 3 '3D CBCA(CO)NH' . . . 16570 1 4 '3D C(CO)NH' . . . 16570 1 5 '3D HNCO' . . . 16570 1 6 '3D HNCACB' . . . 16570 1 7 '3D HBHA(CO)NH' . . . 16570 1 8 '3D HCCH-TOCSY' . . . 16570 1 9 '3D 1H-15N NOESY' . . . 16570 1 10 '3D 1H-13C NOESY' . . . 16570 1 11 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' . . . 16570 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $NMRPipe . . 16570 1 6 $Felix . . 16570 1 7 $SPARKY . . 16570 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.21 0.02 . 1 . . . . 1 SER HA . 16570 1 2 . 1 1 1 1 SER HB2 H 1 4.00 0.02 . 2 . . . . 1 SER HB2 . 16570 1 3 . 1 1 1 1 SER HB3 H 1 4.03 0.02 . 2 . . . . 1 SER HB3 . 16570 1 4 . 1 1 1 1 SER C C 13 171.1 0.2 . 1 . . . . 1 SER C . 16570 1 5 . 1 1 1 1 SER CA C 13 57.3 0.2 . 1 . . . . 1 SER CA . 16570 1 6 . 1 1 1 1 SER CB C 13 63.1 0.2 . 1 . . . . 1 SER CB . 16570 1 7 . 1 1 2 2 SER H H 1 8.82 0.02 . 1 . . . . 2 SER H . 16570 1 8 . 1 1 2 2 SER HA H 1 4.53 0.02 . 1 . . . . 2 SER HA . 16570 1 9 . 1 1 2 2 SER HB2 H 1 3.85 0.02 . 2 . . . . 2 SER HB2 . 16570 1 10 . 1 1 2 2 SER HB3 H 1 3.88 0.02 . 2 . . . . 2 SER HB3 . 16570 1 11 . 1 1 2 2 SER C C 13 174.4 0.2 . 1 . . . . 2 SER C . 16570 1 12 . 1 1 2 2 SER CA C 13 58.6 0.2 . 1 . . . . 2 SER CA . 16570 1 13 . 1 1 2 2 SER CB C 13 63.7 0.2 . 1 . . . . 2 SER CB . 16570 1 14 . 1 1 2 2 SER N N 15 116.8 0.2 . 1 . . . . 2 SER N . 16570 1 15 . 1 1 3 3 GLN H H 1 8.55 0.02 . 1 . . . . 3 GLN H . 16570 1 16 . 1 1 3 3 GLN HA H 1 4.41 0.02 . 1 . . . . 3 GLN HA . 16570 1 17 . 1 1 3 3 GLN HB2 H 1 1.99 0.02 . 2 . . . . 3 GLN HB2 . 16570 1 18 . 1 1 3 3 GLN HB3 H 1 2.14 0.02 . 2 . . . . 3 GLN HB3 . 16570 1 19 . 1 1 3 3 GLN HE21 H 1 6.86 0.02 . 2 . . . . 3 GLN HE21 . 16570 1 20 . 1 1 3 3 GLN HE22 H 1 7.52 0.02 . 2 . . . . 3 GLN HE22 . 16570 1 21 . 1 1 3 3 GLN HG2 H 1 2.34 0.02 . 2 . . . . 3 GLN HG2 . 16570 1 22 . 1 1 3 3 GLN HG3 H 1 2.36 0.02 . 2 . . . . 3 GLN HG3 . 16570 1 23 . 1 1 3 3 GLN C C 13 176.2 0.2 . 1 . . . . 3 GLN C . 16570 1 24 . 1 1 3 3 GLN CA C 13 56.2 0.2 . 1 . . . . 3 GLN CA . 16570 1 25 . 1 1 3 3 GLN CB C 13 29.8 0.2 . 1 . . . . 3 GLN CB . 16570 1 26 . 1 1 3 3 GLN CD C 13 180.4 0.2 . 1 . . . . 3 GLN CD . 16570 1 27 . 1 1 3 3 GLN CG C 13 34.0 0.2 . 1 . . . . 3 GLN CG . 16570 1 28 . 1 1 3 3 GLN N N 15 122.6 0.2 . 1 . . . . 3 GLN N . 16570 1 29 . 1 1 3 3 GLN NE2 N 15 112.5 0.2 . 1 . . . . 3 GLN NE2 . 16570 1 30 . 1 1 4 4 THR H H 1 8.22 0.02 . 1 . . . . 4 THR H . 16570 1 31 . 1 1 4 4 THR HA H 1 4.29 0.02 . 1 . . . . 4 THR HA . 16570 1 32 . 1 1 4 4 THR HB H 1 4.19 0.02 . 1 . . . . 4 THR HB . 16570 1 33 . 1 1 4 4 THR HG21 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 16570 1 34 . 1 1 4 4 THR HG22 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 16570 1 35 . 1 1 4 4 THR HG23 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 16570 1 36 . 1 1 4 4 THR C C 13 174.4 0.2 . 1 . . . . 4 THR C . 16570 1 37 . 1 1 4 4 THR CA C 13 61.9 0.2 . 1 . . . . 4 THR CA . 16570 1 38 . 1 1 4 4 THR CB C 13 69.4 0.2 . 1 . . . . 4 THR CB . 16570 1 39 . 1 1 4 4 THR CG2 C 13 21.7 0.2 . 1 . . . . 4 THR CG2 . 16570 1 40 . 1 1 4 4 THR N N 15 115.1 0.2 . 1 . . . . 4 THR N . 16570 1 41 . 1 1 5 5 LEU H H 1 8.19 0.02 . 1 . . . . 5 LEU H . 16570 1 42 . 1 1 5 5 LEU HA H 1 4.33 0.02 . 1 . . . . 5 LEU HA . 16570 1 43 . 1 1 5 5 LEU HB2 H 1 1.55 0.02 . 2 . . . . 5 LEU HB2 . 16570 1 44 . 1 1 5 5 LEU HB3 H 1 1.64 0.02 . 2 . . . . 5 LEU HB3 . 16570 1 45 . 1 1 5 5 LEU HD11 H 1 0.85 0.02 . 1 . . . . 5 LEU HD1 . 16570 1 46 . 1 1 5 5 LEU HD12 H 1 0.85 0.02 . 1 . . . . 5 LEU HD1 . 16570 1 47 . 1 1 5 5 LEU HD13 H 1 0.85 0.02 . 1 . . . . 5 LEU HD1 . 16570 1 48 . 1 1 5 5 LEU HD21 H 1 0.81 0.02 . 1 . . . . 5 LEU HD2 . 16570 1 49 . 1 1 5 5 LEU HD22 H 1 0.81 0.02 . 1 . . . . 5 LEU HD2 . 16570 1 50 . 1 1 5 5 LEU HD23 H 1 0.81 0.02 . 1 . . . . 5 LEU HD2 . 16570 1 51 . 1 1 5 5 LEU HG H 1 1.62 0.02 . 1 . . . . 5 LEU HG . 16570 1 52 . 1 1 5 5 LEU C C 13 176.7 0.2 . 1 . . . . 5 LEU C . 16570 1 53 . 1 1 5 5 LEU CA C 13 55.3 0.2 . 1 . . . . 5 LEU CA . 16570 1 54 . 1 1 5 5 LEU CB C 13 42.5 0.2 . 1 . . . . 5 LEU CB . 16570 1 55 . 1 1 5 5 LEU CD1 C 13 25.1 0.2 . 1 . . . . 5 LEU CD1 . 16570 1 56 . 1 1 5 5 LEU CD2 C 13 23.4 0.2 . 1 . . . . 5 LEU CD2 . 16570 1 57 . 1 1 5 5 LEU CG C 13 27.0 0.2 . 1 . . . . 5 LEU CG . 16570 1 58 . 1 1 5 5 LEU N N 15 123.8 0.2 . 1 . . . . 5 LEU N . 16570 1 59 . 1 1 6 6 ASP H H 1 8.16 0.02 . 1 . . . . 6 ASP H . 16570 1 60 . 1 1 6 6 ASP HA H 1 4.67 0.02 . 1 . . . . 6 ASP HA . 16570 1 61 . 1 1 6 6 ASP HB2 H 1 2.62 0.02 . 2 . . . . 6 ASP HB2 . 16570 1 62 . 1 1 6 6 ASP HB3 H 1 2.82 0.02 . 2 . . . . 6 ASP HB3 . 16570 1 63 . 1 1 6 6 ASP C C 13 175.2 0.2 . 1 . . . . 6 ASP C . 16570 1 64 . 1 1 6 6 ASP CA C 13 53.6 0.2 . 1 . . . . 6 ASP CA . 16570 1 65 . 1 1 6 6 ASP CB C 13 41.1 0.2 . 1 . . . . 6 ASP CB . 16570 1 66 . 1 1 6 6 ASP N N 15 120.4 0.2 . 1 . . . . 6 ASP N . 16570 1 67 . 1 1 7 7 ARG H H 1 8.15 0.02 . 1 . . . . 7 ARG H . 16570 1 68 . 1 1 7 7 ARG HA H 1 4.44 0.02 . 1 . . . . 7 ARG HA . 16570 1 69 . 1 1 7 7 ARG HB2 H 1 1.68 0.02 . 2 . . . . 7 ARG HB2 . 16570 1 70 . 1 1 7 7 ARG HB3 H 1 1.75 0.02 . 2 . . . . 7 ARG HB3 . 16570 1 71 . 1 1 7 7 ARG HD2 H 1 3.07 0.02 . 2 . . . . 7 ARG HD2 . 16570 1 72 . 1 1 7 7 ARG HD3 H 1 3.10 0.02 . 2 . . . . 7 ARG HD3 . 16570 1 73 . 1 1 7 7 ARG HE H 1 7.18 0.02 . 1 . . . . 7 ARG HE . 16570 1 74 . 1 1 7 7 ARG HG2 H 1 1.43 0.02 . 2 . . . . 7 ARG HG2 . 16570 1 75 . 1 1 7 7 ARG HG3 H 1 1.48 0.02 . 2 . . . . 7 ARG HG3 . 16570 1 76 . 1 1 7 7 ARG C C 13 175.1 0.2 . 1 . . . . 7 ARG C . 16570 1 77 . 1 1 7 7 ARG CA C 13 56.2 0.2 . 1 . . . . 7 ARG CA . 16570 1 78 . 1 1 7 7 ARG CB C 13 31.0 0.2 . 1 . . . . 7 ARG CB . 16570 1 79 . 1 1 7 7 ARG CD C 13 43.0 0.2 . 1 . . . . 7 ARG CD . 16570 1 80 . 1 1 7 7 ARG CG C 13 27.7 0.2 . 1 . . . . 7 ARG CG . 16570 1 81 . 1 1 7 7 ARG CZ C 13 159.3 0.2 . 1 . . . . 7 ARG CZ . 16570 1 82 . 1 1 7 7 ARG N N 15 119.4 0.2 . 1 . . . . 7 ARG N . 16570 1 83 . 1 1 7 7 ARG NE N 15 83.9 0.2 . 1 . . . . 7 ARG NE . 16570 1 84 . 1 1 8 8 ASP H H 1 9.29 0.02 . 1 . . . . 8 ASP H . 16570 1 85 . 1 1 8 8 ASP HA H 1 4.32 0.02 . 1 . . . . 8 ASP HA . 16570 1 86 . 1 1 8 8 ASP HB2 H 1 2.91 0.02 . 2 . . . . 8 ASP HB2 . 16570 1 87 . 1 1 8 8 ASP HB3 H 1 3.06 0.02 . 2 . . . . 8 ASP HB3 . 16570 1 88 . 1 1 8 8 ASP CA C 13 53.7 0.2 . 1 . . . . 8 ASP CA . 16570 1 89 . 1 1 8 8 ASP CB C 13 39.4 0.2 . 1 . . . . 8 ASP CB . 16570 1 90 . 1 1 8 8 ASP N N 15 121.0 0.2 . 1 . . . . 8 ASP N . 16570 1 91 . 1 1 9 9 PRO HA H 1 4.33 0.02 . 1 . . . . 9 PRO HA . 16570 1 92 . 1 1 9 9 PRO HB2 H 1 1.68 0.02 . 2 . . . . 9 PRO HB2 . 16570 1 93 . 1 1 9 9 PRO HB3 H 1 2.09 0.02 . 2 . . . . 9 PRO HB3 . 16570 1 94 . 1 1 9 9 PRO HD2 H 1 3.60 0.02 . 2 . . . . 9 PRO HD2 . 16570 1 95 . 1 1 9 9 PRO HD3 H 1 3.70 0.02 . 2 . . . . 9 PRO HD3 . 16570 1 96 . 1 1 9 9 PRO HG2 H 1 1.83 0.02 . 2 . . . . 9 PRO HG2 . 16570 1 97 . 1 1 9 9 PRO HG3 H 1 1.87 0.02 . 2 . . . . 9 PRO HG3 . 16570 1 98 . 1 1 9 9 PRO C C 13 177.4 0.2 . 1 . . . . 9 PRO C . 16570 1 99 . 1 1 9 9 PRO CA C 13 63.5 0.2 . 1 . . . . 9 PRO CA . 16570 1 100 . 1 1 9 9 PRO CB C 13 32.1 0.2 . 1 . . . . 9 PRO CB . 16570 1 101 . 1 1 9 9 PRO CD C 13 50.8 0.2 . 1 . . . . 9 PRO CD . 16570 1 102 . 1 1 9 9 PRO CG C 13 27.0 0.2 . 1 . . . . 9 PRO CG . 16570 1 103 . 1 1 10 10 THR H H 1 8.41 0.02 . 1 . . . . 10 THR H . 16570 1 104 . 1 1 10 10 THR HA H 1 5.05 0.02 . 1 . . . . 10 THR HA . 16570 1 105 . 1 1 10 10 THR HB H 1 3.98 0.02 . 1 . . . . 10 THR HB . 16570 1 106 . 1 1 10 10 THR HG21 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16570 1 107 . 1 1 10 10 THR HG22 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16570 1 108 . 1 1 10 10 THR HG23 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16570 1 109 . 1 1 10 10 THR C C 13 174.6 0.2 . 1 . . . . 10 THR C . 16570 1 110 . 1 1 10 10 THR CA C 13 61.8 0.2 . 1 . . . . 10 THR CA . 16570 1 111 . 1 1 10 10 THR CB C 13 69.2 0.2 . 1 . . . . 10 THR CB . 16570 1 112 . 1 1 10 10 THR CG2 C 13 21.6 0.2 . 1 . . . . 10 THR CG2 . 16570 1 113 . 1 1 10 10 THR N N 15 117.7 0.2 . 1 . . . . 10 THR N . 16570 1 114 . 1 1 11 11 LEU H H 1 9.16 0.02 . 1 . . . . 11 LEU H . 16570 1 115 . 1 1 11 11 LEU HA H 1 4.63 0.02 . 1 . . . . 11 LEU HA . 16570 1 116 . 1 1 11 11 LEU HB2 H 1 1.28 0.02 . 2 . . . . 11 LEU HB2 . 16570 1 117 . 1 1 11 11 LEU HB3 H 1 1.55 0.02 . 2 . . . . 11 LEU HB3 . 16570 1 118 . 1 1 11 11 LEU HD11 H 1 0.64 0.02 . 1 . . . . 11 LEU HD1 . 16570 1 119 . 1 1 11 11 LEU HD12 H 1 0.64 0.02 . 1 . . . . 11 LEU HD1 . 16570 1 120 . 1 1 11 11 LEU HD13 H 1 0.64 0.02 . 1 . . . . 11 LEU HD1 . 16570 1 121 . 1 1 11 11 LEU HD21 H 1 0.69 0.02 . 1 . . . . 11 LEU HD2 . 16570 1 122 . 1 1 11 11 LEU HD22 H 1 0.69 0.02 . 1 . . . . 11 LEU HD2 . 16570 1 123 . 1 1 11 11 LEU HD23 H 1 0.69 0.02 . 1 . . . . 11 LEU HD2 . 16570 1 124 . 1 1 11 11 LEU HG H 1 1.54 0.02 . 1 . . . . 11 LEU HG . 16570 1 125 . 1 1 11 11 LEU C C 13 175.9 0.2 . 1 . . . . 11 LEU C . 16570 1 126 . 1 1 11 11 LEU CA C 13 53.3 0.2 . 1 . . . . 11 LEU CA . 16570 1 127 . 1 1 11 11 LEU CB C 13 44.0 0.2 . 1 . . . . 11 LEU CB . 16570 1 128 . 1 1 11 11 LEU CD1 C 13 25.5 0.2 . 1 . . . . 11 LEU CD1 . 16570 1 129 . 1 1 11 11 LEU CD2 C 13 22.1 0.2 . 1 . . . . 11 LEU CD2 . 16570 1 130 . 1 1 11 11 LEU CG C 13 26.8 0.2 . 1 . . . . 11 LEU CG . 16570 1 131 . 1 1 11 11 LEU N N 15 128.5 0.2 . 1 . . . . 11 LEU N . 16570 1 132 . 1 1 12 12 THR H H 1 8.58 0.02 . 1 . . . . 12 THR H . 16570 1 133 . 1 1 12 12 THR HA H 1 4.95 0.02 . 1 . . . . 12 THR HA . 16570 1 134 . 1 1 12 12 THR HB H 1 3.96 0.02 . 1 . . . . 12 THR HB . 16570 1 135 . 1 1 12 12 THR HG21 H 1 1.06 0.02 . 1 . . . . 12 THR HG2 . 16570 1 136 . 1 1 12 12 THR HG22 H 1 1.06 0.02 . 1 . . . . 12 THR HG2 . 16570 1 137 . 1 1 12 12 THR HG23 H 1 1.06 0.02 . 1 . . . . 12 THR HG2 . 16570 1 138 . 1 1 12 12 THR C C 13 173.7 0.2 . 1 . . . . 12 THR C . 16570 1 139 . 1 1 12 12 THR CA C 13 62.3 0.2 . 1 . . . . 12 THR CA . 16570 1 140 . 1 1 12 12 THR CB C 13 69.2 0.2 . 1 . . . . 12 THR CB . 16570 1 141 . 1 1 12 12 THR CG2 C 13 21.1 0.2 . 1 . . . . 12 THR CG2 . 16570 1 142 . 1 1 12 12 THR N N 15 119.3 0.2 . 1 . . . . 12 THR N . 16570 1 143 . 1 1 13 13 LEU H H 1 9.47 0.02 . 1 . . . . 13 LEU H . 16570 1 144 . 1 1 13 13 LEU HA H 1 4.80 0.02 . 1 . . . . 13 LEU HA . 16570 1 145 . 1 1 13 13 LEU HB2 H 1 1.45 0.02 . 2 . . . . 13 LEU HB2 . 16570 1 146 . 1 1 13 13 LEU HB3 H 1 1.50 0.02 . 2 . . . . 13 LEU HB3 . 16570 1 147 . 1 1 13 13 LEU HD11 H 1 0.59 0.02 . 1 . . . . 13 LEU HD1 . 16570 1 148 . 1 1 13 13 LEU HD12 H 1 0.59 0.02 . 1 . . . . 13 LEU HD1 . 16570 1 149 . 1 1 13 13 LEU HD13 H 1 0.59 0.02 . 1 . . . . 13 LEU HD1 . 16570 1 150 . 1 1 13 13 LEU HD21 H 1 0.72 0.02 . 1 . . . . 13 LEU HD2 . 16570 1 151 . 1 1 13 13 LEU HD22 H 1 0.72 0.02 . 1 . . . . 13 LEU HD2 . 16570 1 152 . 1 1 13 13 LEU HD23 H 1 0.72 0.02 . 1 . . . . 13 LEU HD2 . 16570 1 153 . 1 1 13 13 LEU HG H 1 1.41 0.02 . 1 . . . . 13 LEU HG . 16570 1 154 . 1 1 13 13 LEU C C 13 176.6 0.2 . 1 . . . . 13 LEU C . 16570 1 155 . 1 1 13 13 LEU CA C 13 52.8 0.2 . 1 . . . . 13 LEU CA . 16570 1 156 . 1 1 13 13 LEU CB C 13 45.2 0.2 . 1 . . . . 13 LEU CB . 16570 1 157 . 1 1 13 13 LEU CD1 C 13 26.7 0.2 . 1 . . . . 13 LEU CD1 . 16570 1 158 . 1 1 13 13 LEU CD2 C 13 23.7 0.2 . 1 . . . . 13 LEU CD2 . 16570 1 159 . 1 1 13 13 LEU CG C 13 27.3 0.2 . 1 . . . . 13 LEU CG . 16570 1 160 . 1 1 13 13 LEU N N 15 126.9 0.2 . 1 . . . . 13 LEU N . 16570 1 161 . 1 1 14 14 SER H H 1 8.82 0.02 . 1 . . . . 14 SER H . 16570 1 162 . 1 1 14 14 SER HA H 1 4.49 0.02 . 1 . . . . 14 SER HA . 16570 1 163 . 1 1 14 14 SER HB2 H 1 3.84 0.02 . 2 . . . . 14 SER HB2 . 16570 1 164 . 1 1 14 14 SER HB3 H 1 3.87 0.02 . 2 . . . . 14 SER HB3 . 16570 1 165 . 1 1 14 14 SER C C 13 171.5 0.2 . 1 . . . . 14 SER C . 16570 1 166 . 1 1 14 14 SER CA C 13 58.9 0.2 . 1 . . . . 14 SER CA . 16570 1 167 . 1 1 14 14 SER CB C 13 64.0 0.2 . 1 . . . . 14 SER CB . 16570 1 168 . 1 1 14 14 SER N N 15 117.4 0.2 . 1 . . . . 14 SER N . 16570 1 169 . 1 1 15 15 LEU H H 1 8.23 0.02 . 1 . . . . 15 LEU H . 16570 1 170 . 1 1 15 15 LEU HA H 1 4.77 0.02 . 1 . . . . 15 LEU HA . 16570 1 171 . 1 1 15 15 LEU HB2 H 1 1.34 0.02 . 2 . . . . 15 LEU HB2 . 16570 1 172 . 1 1 15 15 LEU HB3 H 1 1.83 0.02 . 2 . . . . 15 LEU HB3 . 16570 1 173 . 1 1 15 15 LEU HD11 H 1 0.77 0.02 . 1 . . . . 15 LEU HD1 . 16570 1 174 . 1 1 15 15 LEU HD12 H 1 0.77 0.02 . 1 . . . . 15 LEU HD1 . 16570 1 175 . 1 1 15 15 LEU HD13 H 1 0.77 0.02 . 1 . . . . 15 LEU HD1 . 16570 1 176 . 1 1 15 15 LEU HD21 H 1 0.75 0.02 . 1 . . . . 15 LEU HD2 . 16570 1 177 . 1 1 15 15 LEU HD22 H 1 0.75 0.02 . 1 . . . . 15 LEU HD2 . 16570 1 178 . 1 1 15 15 LEU HD23 H 1 0.75 0.02 . 1 . . . . 15 LEU HD2 . 16570 1 179 . 1 1 15 15 LEU HG H 1 1.36 0.02 . 1 . . . . 15 LEU HG . 16570 1 180 . 1 1 15 15 LEU C C 13 175.3 0.2 . 1 . . . . 15 LEU C . 16570 1 181 . 1 1 15 15 LEU CA C 13 53.6 0.2 . 1 . . . . 15 LEU CA . 16570 1 182 . 1 1 15 15 LEU CB C 13 44.9 0.2 . 1 . . . . 15 LEU CB . 16570 1 183 . 1 1 15 15 LEU CD1 C 13 24.8 0.2 . 1 . . . . 15 LEU CD1 . 16570 1 184 . 1 1 15 15 LEU CD2 C 13 26.6 0.2 . 1 . . . . 15 LEU CD2 . 16570 1 185 . 1 1 15 15 LEU CG C 13 27.2 0.2 . 1 . . . . 15 LEU CG . 16570 1 186 . 1 1 15 15 LEU N N 15 124.9 0.2 . 1 . . . . 15 LEU N . 16570 1 187 . 1 1 16 16 ILE H H 1 8.75 0.02 . 1 . . . . 16 ILE H . 16570 1 188 . 1 1 16 16 ILE HA H 1 4.45 0.02 . 1 . . . . 16 ILE HA . 16570 1 189 . 1 1 16 16 ILE HB H 1 1.79 0.02 . 1 . . . . 16 ILE HB . 16570 1 190 . 1 1 16 16 ILE HD11 H 1 0.37 0.02 . 1 . . . . 16 ILE HD1 . 16570 1 191 . 1 1 16 16 ILE HD12 H 1 0.37 0.02 . 1 . . . . 16 ILE HD1 . 16570 1 192 . 1 1 16 16 ILE HD13 H 1 0.37 0.02 . 1 . . . . 16 ILE HD1 . 16570 1 193 . 1 1 16 16 ILE HG12 H 1 1.13 0.02 . 2 . . . . 16 ILE HG12 . 16570 1 194 . 1 1 16 16 ILE HG13 H 1 1.18 0.02 . 2 . . . . 16 ILE HG13 . 16570 1 195 . 1 1 16 16 ILE HG21 H 1 0.67 0.02 . 1 . . . . 16 ILE HG2 . 16570 1 196 . 1 1 16 16 ILE HG22 H 1 0.67 0.02 . 1 . . . . 16 ILE HG2 . 16570 1 197 . 1 1 16 16 ILE HG23 H 1 0.67 0.02 . 1 . . . . 16 ILE HG2 . 16570 1 198 . 1 1 16 16 ILE C C 13 174.3 0.2 . 1 . . . . 16 ILE C . 16570 1 199 . 1 1 16 16 ILE CA C 13 58.8 0.2 . 1 . . . . 16 ILE CA . 16570 1 200 . 1 1 16 16 ILE CB C 13 40.7 0.2 . 1 . . . . 16 ILE CB . 16570 1 201 . 1 1 16 16 ILE CD1 C 13 12.8 0.2 . 1 . . . . 16 ILE CD1 . 16570 1 202 . 1 1 16 16 ILE CG1 C 13 26.5 0.2 . 1 . . . . 16 ILE CG1 . 16570 1 203 . 1 1 16 16 ILE CG2 C 13 17.7 0.2 . 1 . . . . 16 ILE CG2 . 16570 1 204 . 1 1 16 16 ILE N N 15 122.2 0.2 . 1 . . . . 16 ILE N . 16570 1 205 . 1 1 17 17 ALA H H 1 8.38 0.02 . 1 . . . . 17 ALA H . 16570 1 206 . 1 1 17 17 ALA HA H 1 4.78 0.02 . 1 . . . . 17 ALA HA . 16570 1 207 . 1 1 17 17 ALA HB1 H 1 1.02 0.02 . 1 . . . . 17 ALA HB . 16570 1 208 . 1 1 17 17 ALA HB2 H 1 1.02 0.02 . 1 . . . . 17 ALA HB . 16570 1 209 . 1 1 17 17 ALA HB3 H 1 1.02 0.02 . 1 . . . . 17 ALA HB . 16570 1 210 . 1 1 17 17 ALA C C 13 177.1 0.2 . 1 . . . . 17 ALA C . 16570 1 211 . 1 1 17 17 ALA CA C 13 50.5 0.2 . 1 . . . . 17 ALA CA . 16570 1 212 . 1 1 17 17 ALA CB C 13 20.4 0.2 . 1 . . . . 17 ALA CB . 16570 1 213 . 1 1 17 17 ALA N N 15 124.0 0.2 . 1 . . . . 17 ALA N . 16570 1 214 . 1 1 18 18 LYS H H 1 8.99 0.02 . 1 . . . . 18 LYS H . 16570 1 215 . 1 1 18 18 LYS HA H 1 4.53 0.02 . 1 . . . . 18 LYS HA . 16570 1 216 . 1 1 18 18 LYS HB2 H 1 1.61 0.02 . 2 . . . . 18 LYS HB2 . 16570 1 217 . 1 1 18 18 LYS HB3 H 1 1.64 0.02 . 2 . . . . 18 LYS HB3 . 16570 1 218 . 1 1 18 18 LYS HD2 H 1 1.11 0.02 . 2 . . . . 18 LYS HD2 . 16570 1 219 . 1 1 18 18 LYS HD3 H 1 1.28 0.02 . 2 . . . . 18 LYS HD3 . 16570 1 220 . 1 1 18 18 LYS HE2 H 1 2.25 0.02 . 2 . . . . 18 LYS HE2 . 16570 1 221 . 1 1 18 18 LYS HE3 H 1 2.45 0.02 . 2 . . . . 18 LYS HE3 . 16570 1 222 . 1 1 18 18 LYS HG2 H 1 1.18 0.02 . 2 . . . . 18 LYS HG2 . 16570 1 223 . 1 1 18 18 LYS HG3 H 1 1.20 0.02 . 2 . . . . 18 LYS HG3 . 16570 1 224 . 1 1 18 18 LYS C C 13 175.3 0.2 . 1 . . . . 18 LYS C . 16570 1 225 . 1 1 18 18 LYS CA C 13 54.6 0.2 . 1 . . . . 18 LYS CA . 16570 1 226 . 1 1 18 18 LYS CB C 13 35.6 0.2 . 1 . . . . 18 LYS CB . 16570 1 227 . 1 1 18 18 LYS CD C 13 29.3 0.2 . 1 . . . . 18 LYS CD . 16570 1 228 . 1 1 18 18 LYS CE C 13 41.3 0.2 . 1 . . . . 18 LYS CE . 16570 1 229 . 1 1 18 18 LYS CG C 13 25.1 0.2 . 1 . . . . 18 LYS CG . 16570 1 230 . 1 1 18 18 LYS N N 15 122.8 0.2 . 1 . . . . 18 LYS N . 16570 1 231 . 1 1 19 19 ASN H H 1 9.05 0.02 . 1 . . . . 19 ASN H . 16570 1 232 . 1 1 19 19 ASN HA H 1 4.17 0.02 . 1 . . . . 19 ASN HA . 16570 1 233 . 1 1 19 19 ASN HB2 H 1 2.75 0.02 . 2 . . . . 19 ASN HB2 . 16570 1 234 . 1 1 19 19 ASN HB3 H 1 3.13 0.02 . 2 . . . . 19 ASN HB3 . 16570 1 235 . 1 1 19 19 ASN HD21 H 1 6.98 0.02 . 2 . . . . 19 ASN HD21 . 16570 1 236 . 1 1 19 19 ASN HD22 H 1 7.85 0.02 . 2 . . . . 19 ASN HD22 . 16570 1 237 . 1 1 19 19 ASN C C 13 174.4 0.2 . 1 . . . . 19 ASN C . 16570 1 238 . 1 1 19 19 ASN CA C 13 54.1 0.2 . 1 . . . . 19 ASN CA . 16570 1 239 . 1 1 19 19 ASN CB C 13 36.6 0.2 . 1 . . . . 19 ASN CB . 16570 1 240 . 1 1 19 19 ASN CG C 13 178.3 0.2 . 1 . . . . 19 ASN CG . 16570 1 241 . 1 1 19 19 ASN N N 15 115.3 0.2 . 1 . . . . 19 ASN N . 16570 1 242 . 1 1 19 19 ASN ND2 N 15 116.7 0.2 . 1 . . . . 19 ASN ND2 . 16570 1 243 . 1 1 20 20 THR H H 1 7.96 0.02 . 1 . . . . 20 THR H . 16570 1 244 . 1 1 20 20 THR HA H 1 3.84 0.02 . 1 . . . . 20 THR HA . 16570 1 245 . 1 1 20 20 THR HB H 1 3.79 0.02 . 1 . . . . 20 THR HB . 16570 1 246 . 1 1 20 20 THR HG21 H 1 1.05 0.02 . 1 . . . . 20 THR HG2 . 16570 1 247 . 1 1 20 20 THR HG22 H 1 1.05 0.02 . 1 . . . . 20 THR HG2 . 16570 1 248 . 1 1 20 20 THR HG23 H 1 1.05 0.02 . 1 . . . . 20 THR HG2 . 16570 1 249 . 1 1 20 20 THR CA C 13 62.8 0.2 . 1 . . . . 20 THR CA . 16570 1 250 . 1 1 20 20 THR CB C 13 68.9 0.2 . 1 . . . . 20 THR CB . 16570 1 251 . 1 1 20 20 THR CG2 C 13 21.2 0.2 . 1 . . . . 20 THR CG2 . 16570 1 252 . 1 1 20 20 THR N N 15 116.3 0.2 . 1 . . . . 20 THR N . 16570 1 253 . 1 1 21 21 PRO HA H 1 4.29 0.02 . 1 . . . . 21 PRO HA . 16570 1 254 . 1 1 21 21 PRO HB2 H 1 1.80 0.02 . 2 . . . . 21 PRO HB2 . 16570 1 255 . 1 1 21 21 PRO HB3 H 1 2.40 0.02 . 2 . . . . 21 PRO HB3 . 16570 1 256 . 1 1 21 21 PRO HD2 H 1 3.24 0.02 . 2 . . . . 21 PRO HD2 . 16570 1 257 . 1 1 21 21 PRO HD3 H 1 4.09 0.02 . 2 . . . . 21 PRO HD3 . 16570 1 258 . 1 1 21 21 PRO HG2 H 1 1.97 0.02 . 2 . . . . 21 PRO HG2 . 16570 1 259 . 1 1 21 21 PRO HG3 H 1 2.13 0.02 . 2 . . . . 21 PRO HG3 . 16570 1 260 . 1 1 21 21 PRO C C 13 176.6 0.2 . 1 . . . . 21 PRO C . 16570 1 261 . 1 1 21 21 PRO CA C 13 63.1 0.2 . 1 . . . . 21 PRO CA . 16570 1 262 . 1 1 21 21 PRO CB C 13 32.3 0.2 . 1 . . . . 21 PRO CB . 16570 1 263 . 1 1 21 21 PRO CD C 13 51.3 0.2 . 1 . . . . 21 PRO CD . 16570 1 264 . 1 1 21 21 PRO CG C 13 27.9 0.2 . 1 . . . . 21 PRO CG . 16570 1 265 . 1 1 22 22 ALA H H 1 8.50 0.02 . 1 . . . . 22 ALA H . 16570 1 266 . 1 1 22 22 ALA HA H 1 4.10 0.02 . 1 . . . . 22 ALA HA . 16570 1 267 . 1 1 22 22 ALA HB1 H 1 1.36 0.02 . 1 . . . . 22 ALA HB . 16570 1 268 . 1 1 22 22 ALA HB2 H 1 1.36 0.02 . 1 . . . . 22 ALA HB . 16570 1 269 . 1 1 22 22 ALA HB3 H 1 1.36 0.02 . 1 . . . . 22 ALA HB . 16570 1 270 . 1 1 22 22 ALA C C 13 178.7 0.2 . 1 . . . . 22 ALA C . 16570 1 271 . 1 1 22 22 ALA CA C 13 53.7 0.2 . 1 . . . . 22 ALA CA . 16570 1 272 . 1 1 22 22 ALA CB C 13 18.7 0.2 . 1 . . . . 22 ALA CB . 16570 1 273 . 1 1 22 22 ALA N N 15 124.6 0.2 . 1 . . . . 22 ALA N . 16570 1 274 . 1 1 23 23 ASN H H 1 8.71 0.02 . 1 . . . . 23 ASN H . 16570 1 275 . 1 1 23 23 ASN HA H 1 4.49 0.02 . 1 . . . . 23 ASN HA . 16570 1 276 . 1 1 23 23 ASN HB2 H 1 2.82 0.02 . 2 . . . . 23 ASN HB2 . 16570 1 277 . 1 1 23 23 ASN HB3 H 1 2.89 0.02 . 2 . . . . 23 ASN HB3 . 16570 1 278 . 1 1 23 23 ASN HD21 H 1 6.94 0.02 . 2 . . . . 23 ASN HD21 . 16570 1 279 . 1 1 23 23 ASN HD22 H 1 7.59 0.02 . 2 . . . . 23 ASN HD22 . 16570 1 280 . 1 1 23 23 ASN C C 13 174.8 0.2 . 1 . . . . 23 ASN C . 16570 1 281 . 1 1 23 23 ASN CA C 13 53.8 0.2 . 1 . . . . 23 ASN CA . 16570 1 282 . 1 1 23 23 ASN CB C 13 37.8 0.2 . 1 . . . . 23 ASN CB . 16570 1 283 . 1 1 23 23 ASN CG C 13 178.0 0.2 . 1 . . . . 23 ASN CG . 16570 1 284 . 1 1 23 23 ASN N N 15 114.3 0.2 . 1 . . . . 23 ASN N . 16570 1 285 . 1 1 23 23 ASN ND2 N 15 113.6 0.2 . 1 . . . . 23 ASN ND2 . 16570 1 286 . 1 1 24 24 SER H H 1 7.78 0.02 . 1 . . . . 24 SER H . 16570 1 287 . 1 1 24 24 SER HA H 1 5.28 0.02 . 1 . . . . 24 SER HA . 16570 1 288 . 1 1 24 24 SER HB2 H 1 3.46 0.02 . 2 . . . . 24 SER HB2 . 16570 1 289 . 1 1 24 24 SER HB3 H 1 3.53 0.02 . 2 . . . . 24 SER HB3 . 16570 1 290 . 1 1 24 24 SER HG H 1 4.78 0.02 . 1 . . . . 24 SER HG . 16570 1 291 . 1 1 24 24 SER C C 13 171.3 0.2 . 1 . . . . 24 SER C . 16570 1 292 . 1 1 24 24 SER CA C 13 58.1 0.2 . 1 . . . . 24 SER CA . 16570 1 293 . 1 1 24 24 SER CB C 13 66.3 0.2 . 1 . . . . 24 SER CB . 16570 1 294 . 1 1 24 24 SER N N 15 113.4 0.2 . 1 . . . . 24 SER N . 16570 1 295 . 1 1 25 25 MET H H 1 8.86 0.02 . 1 . . . . 25 MET H . 16570 1 296 . 1 1 25 25 MET HA H 1 4.62 0.02 . 1 . . . . 25 MET HA . 16570 1 297 . 1 1 25 25 MET HB2 H 1 1.76 0.02 . 2 . . . . 25 MET HB2 . 16570 1 298 . 1 1 25 25 MET HB3 H 1 1.78 0.02 . 2 . . . . 25 MET HB3 . 16570 1 299 . 1 1 25 25 MET HE1 H 1 1.92 0.02 . 1 . . . . 25 MET HE . 16570 1 300 . 1 1 25 25 MET HE2 H 1 1.92 0.02 . 1 . . . . 25 MET HE . 16570 1 301 . 1 1 25 25 MET HE3 H 1 1.92 0.02 . 1 . . . . 25 MET HE . 16570 1 302 . 1 1 25 25 MET HG2 H 1 2.27 0.02 . 2 . . . . 25 MET HG2 . 16570 1 303 . 1 1 25 25 MET HG3 H 1 2.29 0.02 . 2 . . . . 25 MET HG3 . 16570 1 304 . 1 1 25 25 MET C C 13 174.2 0.2 . 1 . . . . 25 MET C . 16570 1 305 . 1 1 25 25 MET CA C 13 54.1 0.2 . 1 . . . . 25 MET CA . 16570 1 306 . 1 1 25 25 MET CB C 13 36.3 0.2 . 1 . . . . 25 MET CB . 16570 1 307 . 1 1 25 25 MET CE C 13 17.2 0.2 . 1 . . . . 25 MET CE . 16570 1 308 . 1 1 25 25 MET CG C 13 31.2 0.2 . 1 . . . . 25 MET CG . 16570 1 309 . 1 1 25 25 MET N N 15 118.9 0.2 . 1 . . . . 25 MET N . 16570 1 310 . 1 1 26 26 ILE H H 1 8.83 0.02 . 1 . . . . 26 ILE H . 16570 1 311 . 1 1 26 26 ILE HA H 1 4.29 0.02 . 1 . . . . 26 ILE HA . 16570 1 312 . 1 1 26 26 ILE HB H 1 1.81 0.02 . 1 . . . . 26 ILE HB . 16570 1 313 . 1 1 26 26 ILE HD11 H 1 0.74 0.02 . 1 . . . . 26 ILE HD1 . 16570 1 314 . 1 1 26 26 ILE HD12 H 1 0.74 0.02 . 1 . . . . 26 ILE HD1 . 16570 1 315 . 1 1 26 26 ILE HD13 H 1 0.74 0.02 . 1 . . . . 26 ILE HD1 . 16570 1 316 . 1 1 26 26 ILE HG12 H 1 0.70 0.02 . 2 . . . . 26 ILE HG12 . 16570 1 317 . 1 1 26 26 ILE HG13 H 1 1.50 0.02 . 2 . . . . 26 ILE HG13 . 16570 1 318 . 1 1 26 26 ILE HG21 H 1 1.03 0.02 . 1 . . . . 26 ILE HG2 . 16570 1 319 . 1 1 26 26 ILE HG22 H 1 1.03 0.02 . 1 . . . . 26 ILE HG2 . 16570 1 320 . 1 1 26 26 ILE HG23 H 1 1.03 0.02 . 1 . . . . 26 ILE HG2 . 16570 1 321 . 1 1 26 26 ILE C C 13 176.7 0.2 . 1 . . . . 26 ILE C . 16570 1 322 . 1 1 26 26 ILE CA C 13 61.7 0.2 . 1 . . . . 26 ILE CA . 16570 1 323 . 1 1 26 26 ILE CB C 13 38.6 0.2 . 1 . . . . 26 ILE CB . 16570 1 324 . 1 1 26 26 ILE CD1 C 13 14.5 0.2 . 1 . . . . 26 ILE CD1 . 16570 1 325 . 1 1 26 26 ILE CG1 C 13 27.4 0.2 . 1 . . . . 26 ILE CG1 . 16570 1 326 . 1 1 26 26 ILE CG2 C 13 18.7 0.2 . 1 . . . . 26 ILE CG2 . 16570 1 327 . 1 1 26 26 ILE N N 15 124.3 0.2 . 1 . . . . 26 ILE N . 16570 1 328 . 1 1 27 27 MET H H 1 8.90 0.02 . 1 . . . . 27 MET H . 16570 1 329 . 1 1 27 27 MET HA H 1 4.64 0.02 . 1 . . . . 27 MET HA . 16570 1 330 . 1 1 27 27 MET HB2 H 1 1.72 0.02 . 2 . . . . 27 MET HB2 . 16570 1 331 . 1 1 27 27 MET HB3 H 1 2.26 0.02 . 2 . . . . 27 MET HB3 . 16570 1 332 . 1 1 27 27 MET HE1 H 1 1.95 0.02 . 1 . . . . 27 MET HE . 16570 1 333 . 1 1 27 27 MET HE2 H 1 1.95 0.02 . 1 . . . . 27 MET HE . 16570 1 334 . 1 1 27 27 MET HE3 H 1 1.95 0.02 . 1 . . . . 27 MET HE . 16570 1 335 . 1 1 27 27 MET HG2 H 1 2.28 0.02 . 2 . . . . 27 MET HG2 . 16570 1 336 . 1 1 27 27 MET HG3 H 1 2.56 0.02 . 2 . . . . 27 MET HG3 . 16570 1 337 . 1 1 27 27 MET C C 13 176.3 0.2 . 1 . . . . 27 MET C . 16570 1 338 . 1 1 27 27 MET CA C 13 54.6 0.2 . 1 . . . . 27 MET CA . 16570 1 339 . 1 1 27 27 MET CB C 13 31.4 0.2 . 1 . . . . 27 MET CB . 16570 1 340 . 1 1 27 27 MET CE C 13 15.8 0.2 . 1 . . . . 27 MET CE . 16570 1 341 . 1 1 27 27 MET CG C 13 31.8 0.2 . 1 . . . . 27 MET CG . 16570 1 342 . 1 1 27 27 MET N N 15 125.4 0.2 . 1 . . . . 27 MET N . 16570 1 343 . 1 1 28 28 THR H H 1 6.94 0.02 . 1 . . . . 28 THR H . 16570 1 344 . 1 1 28 28 THR HA H 1 4.25 0.02 . 1 . . . . 28 THR HA . 16570 1 345 . 1 1 28 28 THR HB H 1 3.73 0.02 . 1 . . . . 28 THR HB . 16570 1 346 . 1 1 28 28 THR HG21 H 1 1.42 0.02 . 1 . . . . 28 THR HG2 . 16570 1 347 . 1 1 28 28 THR HG22 H 1 1.42 0.02 . 1 . . . . 28 THR HG2 . 16570 1 348 . 1 1 28 28 THR HG23 H 1 1.42 0.02 . 1 . . . . 28 THR HG2 . 16570 1 349 . 1 1 28 28 THR C C 13 173.1 0.2 . 1 . . . . 28 THR C . 16570 1 350 . 1 1 28 28 THR CA C 13 61.9 0.2 . 1 . . . . 28 THR CA . 16570 1 351 . 1 1 28 28 THR CB C 13 71.9 0.2 . 1 . . . . 28 THR CB . 16570 1 352 . 1 1 28 28 THR CG2 C 13 21.9 0.2 . 1 . . . . 28 THR CG2 . 16570 1 353 . 1 1 28 28 THR N N 15 116.2 0.2 . 1 . . . . 28 THR N . 16570 1 354 . 1 1 29 29 LYS H H 1 8.62 0.02 . 1 . . . . 29 LYS H . 16570 1 355 . 1 1 29 29 LYS HA H 1 4.12 0.02 . 1 . . . . 29 LYS HA . 16570 1 356 . 1 1 29 29 LYS HB2 H 1 1.73 0.02 . 2 . . . . 29 LYS HB2 . 16570 1 357 . 1 1 29 29 LYS HB3 H 1 1.76 0.02 . 2 . . . . 29 LYS HB3 . 16570 1 358 . 1 1 29 29 LYS HD2 H 1 1.63 0.02 . 2 . . . . 29 LYS HD2 . 16570 1 359 . 1 1 29 29 LYS HD3 H 1 1.69 0.02 . 2 . . . . 29 LYS HD3 . 16570 1 360 . 1 1 29 29 LYS HE2 H 1 2.98 0.02 . 2 . . . . 29 LYS HE2 . 16570 1 361 . 1 1 29 29 LYS HE3 H 1 3.00 0.02 . 2 . . . . 29 LYS HE3 . 16570 1 362 . 1 1 29 29 LYS HG2 H 1 1.32 0.02 . 2 . . . . 29 LYS HG2 . 16570 1 363 . 1 1 29 29 LYS HG3 H 1 1.44 0.02 . 2 . . . . 29 LYS HG3 . 16570 1 364 . 1 1 29 29 LYS C C 13 176.1 0.2 . 1 . . . . 29 LYS C . 16570 1 365 . 1 1 29 29 LYS CA C 13 56.4 0.2 . 1 . . . . 29 LYS CA . 16570 1 366 . 1 1 29 29 LYS CB C 13 32.3 0.2 . 1 . . . . 29 LYS CB . 16570 1 367 . 1 1 29 29 LYS CD C 13 29.0 0.2 . 1 . . . . 29 LYS CD . 16570 1 368 . 1 1 29 29 LYS CE C 13 42.2 0.2 . 1 . . . . 29 LYS CE . 16570 1 369 . 1 1 29 29 LYS CG C 13 24.7 0.2 . 1 . . . . 29 LYS CG . 16570 1 370 . 1 1 29 29 LYS N N 15 126.3 0.2 . 1 . . . . 29 LYS N . 16570 1 371 . 1 1 30 30 LEU H H 1 8.58 0.02 . 1 . . . . 30 LEU H . 16570 1 372 . 1 1 30 30 LEU HA H 1 4.40 0.02 . 1 . . . . 30 LEU HA . 16570 1 373 . 1 1 30 30 LEU HB2 H 1 1.29 0.02 . 2 . . . . 30 LEU HB2 . 16570 1 374 . 1 1 30 30 LEU HB3 H 1 1.86 0.02 . 2 . . . . 30 LEU HB3 . 16570 1 375 . 1 1 30 30 LEU HD11 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16570 1 376 . 1 1 30 30 LEU HD12 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16570 1 377 . 1 1 30 30 LEU HD13 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16570 1 378 . 1 1 30 30 LEU HD21 H 1 0.69 0.02 . 1 . . . . 30 LEU HD2 . 16570 1 379 . 1 1 30 30 LEU HD22 H 1 0.69 0.02 . 1 . . . . 30 LEU HD2 . 16570 1 380 . 1 1 30 30 LEU HD23 H 1 0.69 0.02 . 1 . . . . 30 LEU HD2 . 16570 1 381 . 1 1 30 30 LEU HG H 1 1.75 0.02 . 1 . . . . 30 LEU HG . 16570 1 382 . 1 1 30 30 LEU CA C 13 52.8 0.2 . 1 . . . . 30 LEU CA . 16570 1 383 . 1 1 30 30 LEU CB C 13 40.3 0.2 . 1 . . . . 30 LEU CB . 16570 1 384 . 1 1 30 30 LEU CD1 C 13 25.8 0.2 . 1 . . . . 30 LEU CD1 . 16570 1 385 . 1 1 30 30 LEU CD2 C 13 24.0 0.2 . 1 . . . . 30 LEU CD2 . 16570 1 386 . 1 1 30 30 LEU CG C 13 27.2 0.2 . 1 . . . . 30 LEU CG . 16570 1 387 . 1 1 30 30 LEU N N 15 127.9 0.2 . 1 . . . . 30 LEU N . 16570 1 388 . 1 1 31 31 PRO HA H 1 4.60 0.02 . 1 . . . . 31 PRO HA . 16570 1 389 . 1 1 31 31 PRO HB2 H 1 2.19 0.02 . 2 . . . . 31 PRO HB2 . 16570 1 390 . 1 1 31 31 PRO HB3 H 1 2.23 0.02 . 2 . . . . 31 PRO HB3 . 16570 1 391 . 1 1 31 31 PRO HD2 H 1 3.41 0.02 . 2 . . . . 31 PRO HD2 . 16570 1 392 . 1 1 31 31 PRO HD3 H 1 3.91 0.02 . 2 . . . . 31 PRO HD3 . 16570 1 393 . 1 1 31 31 PRO HG2 H 1 1.68 0.02 . 2 . . . . 31 PRO HG2 . 16570 1 394 . 1 1 31 31 PRO HG3 H 1 2.07 0.02 . 2 . . . . 31 PRO HG3 . 16570 1 395 . 1 1 31 31 PRO C C 13 175.4 0.2 . 1 . . . . 31 PRO C . 16570 1 396 . 1 1 31 31 PRO CA C 13 62.4 0.2 . 1 . . . . 31 PRO CA . 16570 1 397 . 1 1 31 31 PRO CB C 13 32.3 0.2 . 1 . . . . 31 PRO CB . 16570 1 398 . 1 1 31 31 PRO CD C 13 50.1 0.2 . 1 . . . . 31 PRO CD . 16570 1 399 . 1 1 31 31 PRO CG C 13 26.4 0.2 . 1 . . . . 31 PRO CG . 16570 1 400 . 1 1 32 32 SER H H 1 7.83 0.02 . 1 . . . . 32 SER H . 16570 1 401 . 1 1 32 32 SER HA H 1 4.69 0.02 . 1 . . . . 32 SER HA . 16570 1 402 . 1 1 32 32 SER HB2 H 1 3.69 0.02 . 2 . . . . 32 SER HB2 . 16570 1 403 . 1 1 32 32 SER HB3 H 1 3.74 0.02 . 2 . . . . 32 SER HB3 . 16570 1 404 . 1 1 32 32 SER C C 13 173.7 0.2 . 1 . . . . 32 SER C . 16570 1 405 . 1 1 32 32 SER CA C 13 58.2 0.2 . 1 . . . . 32 SER CA . 16570 1 406 . 1 1 32 32 SER CB C 13 64.3 0.2 . 1 . . . . 32 SER CB . 16570 1 407 . 1 1 32 32 SER N N 15 111.4 0.2 . 1 . . . . 32 SER N . 16570 1 408 . 1 1 33 33 VAL H H 1 8.79 0.02 . 1 . . . . 33 VAL H . 16570 1 409 . 1 1 33 33 VAL HA H 1 4.64 0.02 . 1 . . . . 33 VAL HA . 16570 1 410 . 1 1 33 33 VAL HB H 1 1.67 0.02 . 1 . . . . 33 VAL HB . 16570 1 411 . 1 1 33 33 VAL HG11 H 1 0.64 0.02 . 1 . . . . 33 VAL HG1 . 16570 1 412 . 1 1 33 33 VAL HG12 H 1 0.64 0.02 . 1 . . . . 33 VAL HG1 . 16570 1 413 . 1 1 33 33 VAL HG13 H 1 0.64 0.02 . 1 . . . . 33 VAL HG1 . 16570 1 414 . 1 1 33 33 VAL HG21 H 1 0.66 0.02 . 1 . . . . 33 VAL HG2 . 16570 1 415 . 1 1 33 33 VAL HG22 H 1 0.66 0.02 . 1 . . . . 33 VAL HG2 . 16570 1 416 . 1 1 33 33 VAL HG23 H 1 0.66 0.02 . 1 . . . . 33 VAL HG2 . 16570 1 417 . 1 1 33 33 VAL C C 13 174.1 0.2 . 1 . . . . 33 VAL C . 16570 1 418 . 1 1 33 33 VAL CA C 13 60.4 0.2 . 1 . . . . 33 VAL CA . 16570 1 419 . 1 1 33 33 VAL CB C 13 35.0 0.2 . 1 . . . . 33 VAL CB . 16570 1 420 . 1 1 33 33 VAL CG1 C 13 21.7 0.2 . 1 . . . . 33 VAL CG1 . 16570 1 421 . 1 1 33 33 VAL CG2 C 13 21.4 0.2 . 1 . . . . 33 VAL CG2 . 16570 1 422 . 1 1 33 33 VAL N N 15 118.6 0.2 . 1 . . . . 33 VAL N . 16570 1 423 . 1 1 34 34 ARG H H 1 8.98 0.02 . 1 . . . . 34 ARG H . 16570 1 424 . 1 1 34 34 ARG HA H 1 5.18 0.02 . 1 . . . . 34 ARG HA . 16570 1 425 . 1 1 34 34 ARG HB2 H 1 1.68 0.02 . 2 . . . . 34 ARG HB2 . 16570 1 426 . 1 1 34 34 ARG HB3 H 1 1.71 0.02 . 2 . . . . 34 ARG HB3 . 16570 1 427 . 1 1 34 34 ARG HD2 H 1 3.09 0.02 . 2 . . . . 34 ARG HD2 . 16570 1 428 . 1 1 34 34 ARG HD3 H 1 3.11 0.02 . 2 . . . . 34 ARG HD3 . 16570 1 429 . 1 1 34 34 ARG HE H 1 7.20 0.02 . 1 . . . . 34 ARG HE . 16570 1 430 . 1 1 34 34 ARG HG2 H 1 1.44 0.02 . 2 . . . . 34 ARG HG2 . 16570 1 431 . 1 1 34 34 ARG HG3 H 1 1.55 0.02 . 2 . . . . 34 ARG HG3 . 16570 1 432 . 1 1 34 34 ARG C C 13 176.2 0.2 . 1 . . . . 34 ARG C . 16570 1 433 . 1 1 34 34 ARG CA C 13 54.6 0.2 . 1 . . . . 34 ARG CA . 16570 1 434 . 1 1 34 34 ARG CB C 13 32.3 0.2 . 1 . . . . 34 ARG CB . 16570 1 435 . 1 1 34 34 ARG CD C 13 43.3 0.2 . 1 . . . . 34 ARG CD . 16570 1 436 . 1 1 34 34 ARG CG C 13 27.5 0.2 . 1 . . . . 34 ARG CG . 16570 1 437 . 1 1 34 34 ARG CZ C 13 159.4 0.2 . 1 . . . . 34 ARG CZ . 16570 1 438 . 1 1 34 34 ARG N N 15 125.8 0.2 . 1 . . . . 34 ARG N . 16570 1 439 . 1 1 34 34 ARG NE N 15 84.5 0.2 . 1 . . . . 34 ARG NE . 16570 1 440 . 1 1 35 35 VAL H H 1 9.32 0.02 . 1 . . . . 35 VAL H . 16570 1 441 . 1 1 35 35 VAL HA H 1 4.95 0.02 . 1 . . . . 35 VAL HA . 16570 1 442 . 1 1 35 35 VAL HB H 1 1.93 0.02 . 1 . . . . 35 VAL HB . 16570 1 443 . 1 1 35 35 VAL HG11 H 1 0.79 0.02 . 1 . . . . 35 VAL HG1 . 16570 1 444 . 1 1 35 35 VAL HG12 H 1 0.79 0.02 . 1 . . . . 35 VAL HG1 . 16570 1 445 . 1 1 35 35 VAL HG13 H 1 0.79 0.02 . 1 . . . . 35 VAL HG1 . 16570 1 446 . 1 1 35 35 VAL HG21 H 1 0.76 0.02 . 1 . . . . 35 VAL HG2 . 16570 1 447 . 1 1 35 35 VAL HG22 H 1 0.76 0.02 . 1 . . . . 35 VAL HG2 . 16570 1 448 . 1 1 35 35 VAL HG23 H 1 0.76 0.02 . 1 . . . . 35 VAL HG2 . 16570 1 449 . 1 1 35 35 VAL C C 13 174.8 0.2 . 1 . . . . 35 VAL C . 16570 1 450 . 1 1 35 35 VAL CA C 13 60.0 0.2 . 1 . . . . 35 VAL CA . 16570 1 451 . 1 1 35 35 VAL CB C 13 34.6 0.2 . 1 . . . . 35 VAL CB . 16570 1 452 . 1 1 35 35 VAL CG1 C 13 22.6 0.2 . 1 . . . . 35 VAL CG1 . 16570 1 453 . 1 1 35 35 VAL CG2 C 13 21.5 0.2 . 1 . . . . 35 VAL CG2 . 16570 1 454 . 1 1 35 35 VAL N N 15 125.2 0.2 . 1 . . . . 35 VAL N . 16570 1 455 . 1 1 36 36 LYS H H 1 8.75 0.02 . 1 . . . . 36 LYS H . 16570 1 456 . 1 1 36 36 LYS HA H 1 4.72 0.02 . 1 . . . . 36 LYS HA . 16570 1 457 . 1 1 36 36 LYS HB2 H 1 1.60 0.02 . 2 . . . . 36 LYS HB2 . 16570 1 458 . 1 1 36 36 LYS HB3 H 1 1.79 0.02 . 2 . . . . 36 LYS HB3 . 16570 1 459 . 1 1 36 36 LYS HD2 H 1 1.55 0.02 . 2 . . . . 36 LYS HD2 . 16570 1 460 . 1 1 36 36 LYS HD3 H 1 1.61 0.02 . 2 . . . . 36 LYS HD3 . 16570 1 461 . 1 1 36 36 LYS HE2 H 1 2.86 0.02 . 2 . . . . 36 LYS HE2 . 16570 1 462 . 1 1 36 36 LYS HE3 H 1 2.89 0.02 . 2 . . . . 36 LYS HE3 . 16570 1 463 . 1 1 36 36 LYS HG2 H 1 1.32 0.02 . 2 . . . . 36 LYS HG2 . 16570 1 464 . 1 1 36 36 LYS HG3 H 1 1.52 0.02 . 2 . . . . 36 LYS HG3 . 16570 1 465 . 1 1 36 36 LYS C C 13 176.8 0.2 . 1 . . . . 36 LYS C . 16570 1 466 . 1 1 36 36 LYS CA C 13 55.9 0.2 . 1 . . . . 36 LYS CA . 16570 1 467 . 1 1 36 36 LYS CB C 13 34.5 0.2 . 1 . . . . 36 LYS CB . 16570 1 468 . 1 1 36 36 LYS CD C 13 29.3 0.2 . 1 . . . . 36 LYS CD . 16570 1 469 . 1 1 36 36 LYS CE C 13 42.0 0.2 . 1 . . . . 36 LYS CE . 16570 1 470 . 1 1 36 36 LYS CG C 13 25.2 0.2 . 1 . . . . 36 LYS CG . 16570 1 471 . 1 1 36 36 LYS N N 15 126.7 0.2 . 1 . . . . 36 LYS N . 16570 1 472 . 1 1 37 37 THR H H 1 8.12 0.02 . 1 . . . . 37 THR H . 16570 1 473 . 1 1 37 37 THR HA H 1 5.36 0.02 . 1 . . . . 37 THR HA . 16570 1 474 . 1 1 37 37 THR HB H 1 4.00 0.02 . 1 . . . . 37 THR HB . 16570 1 475 . 1 1 37 37 THR HG21 H 1 0.91 0.02 . 1 . . . . 37 THR HG2 . 16570 1 476 . 1 1 37 37 THR HG22 H 1 0.91 0.02 . 1 . . . . 37 THR HG2 . 16570 1 477 . 1 1 37 37 THR HG23 H 1 0.91 0.02 . 1 . . . . 37 THR HG2 . 16570 1 478 . 1 1 37 37 THR C C 13 173.5 0.2 . 1 . . . . 37 THR C . 16570 1 479 . 1 1 37 37 THR CA C 13 60.6 0.2 . 1 . . . . 37 THR CA . 16570 1 480 . 1 1 37 37 THR CB C 13 72.3 0.2 . 1 . . . . 37 THR CB . 16570 1 481 . 1 1 37 37 THR CG2 C 13 20.9 0.2 . 1 . . . . 37 THR CG2 . 16570 1 482 . 1 1 37 37 THR N N 15 115.2 0.2 . 1 . . . . 37 THR N . 16570 1 483 . 1 1 38 38 GLU H H 1 8.75 0.02 . 1 . . . . 38 GLU H . 16570 1 484 . 1 1 38 38 GLU HA H 1 4.78 0.02 . 1 . . . . 38 GLU HA . 16570 1 485 . 1 1 38 38 GLU HB2 H 1 1.76 0.02 . 2 . . . . 38 GLU HB2 . 16570 1 486 . 1 1 38 38 GLU HB3 H 1 1.91 0.02 . 2 . . . . 38 GLU HB3 . 16570 1 487 . 1 1 38 38 GLU HG2 H 1 2.20 0.02 . 2 . . . . 38 GLU HG2 . 16570 1 488 . 1 1 38 38 GLU HG3 H 1 2.25 0.02 . 2 . . . . 38 GLU HG3 . 16570 1 489 . 1 1 38 38 GLU C C 13 175.9 0.2 . 1 . . . . 38 GLU C . 16570 1 490 . 1 1 38 38 GLU CA C 13 54.8 0.2 . 1 . . . . 38 GLU CA . 16570 1 491 . 1 1 38 38 GLU CB C 13 33.0 0.2 . 1 . . . . 38 GLU CB . 16570 1 492 . 1 1 38 38 GLU CG C 13 35.4 0.2 . 1 . . . . 38 GLU CG . 16570 1 493 . 1 1 38 38 GLU N N 15 116.7 0.2 . 1 . . . . 38 GLU N . 16570 1 494 . 1 1 39 39 GLY H H 1 9.33 0.02 . 1 . . . . 39 GLY H . 16570 1 495 . 1 1 39 39 GLY HA2 H 1 3.80 0.02 . 2 . . . . 39 GLY HA2 . 16570 1 496 . 1 1 39 39 GLY HA3 H 1 5.00 0.02 . 2 . . . . 39 GLY HA3 . 16570 1 497 . 1 1 39 39 GLY C C 13 171.8 0.2 . 1 . . . . 39 GLY C . 16570 1 498 . 1 1 39 39 GLY CA C 13 44.1 0.2 . 1 . . . . 39 GLY CA . 16570 1 499 . 1 1 39 39 GLY N N 15 113.1 0.2 . 1 . . . . 39 GLY N . 16570 1 500 . 1 1 40 40 TYR H H 1 8.03 0.02 . 1 . . . . 40 TYR H . 16570 1 501 . 1 1 40 40 TYR HA H 1 4.77 0.02 . 1 . . . . 40 TYR HA . 16570 1 502 . 1 1 40 40 TYR HB2 H 1 2.76 0.02 . 2 . . . . 40 TYR HB2 . 16570 1 503 . 1 1 40 40 TYR HB3 H 1 2.96 0.02 . 2 . . . . 40 TYR HB3 . 16570 1 504 . 1 1 40 40 TYR HD1 H 1 6.96 0.02 . 3 . . . . 40 TYR HD1 . 16570 1 505 . 1 1 40 40 TYR HE1 H 1 6.77 0.02 . 3 . . . . 40 TYR HE1 . 16570 1 506 . 1 1 40 40 TYR C C 13 173.8 0.2 . 1 . . . . 40 TYR C . 16570 1 507 . 1 1 40 40 TYR CA C 13 57.2 0.2 . 1 . . . . 40 TYR CA . 16570 1 508 . 1 1 40 40 TYR CB C 13 40.8 0.2 . 1 . . . . 40 TYR CB . 16570 1 509 . 1 1 40 40 TYR CD1 C 13 133.0 0.2 . 3 . . . . 40 TYR CD1 . 16570 1 510 . 1 1 40 40 TYR CE1 C 13 118.1 0.2 . 3 . . . . 40 TYR CE1 . 16570 1 511 . 1 1 40 40 TYR N N 15 118.6 0.2 . 1 . . . . 40 TYR N . 16570 1 512 . 1 1 41 41 ASN H H 1 8.58 0.02 . 1 . . . . 41 ASN H . 16570 1 513 . 1 1 41 41 ASN HA H 1 4.57 0.02 . 1 . . . . 41 ASN HA . 16570 1 514 . 1 1 41 41 ASN HB2 H 1 2.63 0.02 . 2 . . . . 41 ASN HB2 . 16570 1 515 . 1 1 41 41 ASN HB3 H 1 2.73 0.02 . 2 . . . . 41 ASN HB3 . 16570 1 516 . 1 1 41 41 ASN HD21 H 1 7.27 0.02 . 2 . . . . 41 ASN HD21 . 16570 1 517 . 1 1 41 41 ASN HD22 H 1 7.73 0.02 . 2 . . . . 41 ASN HD22 . 16570 1 518 . 1 1 41 41 ASN CA C 13 50.6 0.2 . 1 . . . . 41 ASN CA . 16570 1 519 . 1 1 41 41 ASN CB C 13 38.8 0.2 . 1 . . . . 41 ASN CB . 16570 1 520 . 1 1 41 41 ASN CG C 13 177.3 0.2 . 1 . . . . 41 ASN CG . 16570 1 521 . 1 1 41 41 ASN N N 15 123.1 0.2 . 1 . . . . 41 ASN N . 16570 1 522 . 1 1 41 41 ASN ND2 N 15 112.1 0.2 . 1 . . . . 41 ASN ND2 . 16570 1 523 . 1 1 42 42 PRO HA H 1 4.41 0.02 . 1 . . . . 42 PRO HA . 16570 1 524 . 1 1 42 42 PRO HB2 H 1 2.04 0.02 . 2 . . . . 42 PRO HB2 . 16570 1 525 . 1 1 42 42 PRO HB3 H 1 2.17 0.02 . 2 . . . . 42 PRO HB3 . 16570 1 526 . 1 1 42 42 PRO HD2 H 1 2.49 0.02 . 2 . . . . 42 PRO HD2 . 16570 1 527 . 1 1 42 42 PRO HD3 H 1 3.53 0.02 . 2 . . . . 42 PRO HD3 . 16570 1 528 . 1 1 42 42 PRO HG2 H 1 1.81 0.02 . 2 . . . . 42 PRO HG2 . 16570 1 529 . 1 1 42 42 PRO HG3 H 1 1.83 0.02 . 2 . . . . 42 PRO HG3 . 16570 1 530 . 1 1 42 42 PRO C C 13 176.8 0.2 . 1 . . . . 42 PRO C . 16570 1 531 . 1 1 42 42 PRO CA C 13 63.5 0.2 . 1 . . . . 42 PRO CA . 16570 1 532 . 1 1 42 42 PRO CB C 13 32.1 0.2 . 1 . . . . 42 PRO CB . 16570 1 533 . 1 1 42 42 PRO CD C 13 49.9 0.2 . 1 . . . . 42 PRO CD . 16570 1 534 . 1 1 42 42 PRO CG C 13 26.3 0.2 . 1 . . . . 42 PRO CG . 16570 1 535 . 1 1 43 43 SER H H 1 7.96 0.02 . 1 . . . . 43 SER H . 16570 1 536 . 1 1 43 43 SER HA H 1 4.45 0.02 . 1 . . . . 43 SER HA . 16570 1 537 . 1 1 43 43 SER HB2 H 1 3.80 0.02 . 2 . . . . 43 SER HB2 . 16570 1 538 . 1 1 43 43 SER HB3 H 1 3.85 0.02 . 2 . . . . 43 SER HB3 . 16570 1 539 . 1 1 43 43 SER C C 13 174.3 0.2 . 1 . . . . 43 SER C . 16570 1 540 . 1 1 43 43 SER CA C 13 58.4 0.2 . 1 . . . . 43 SER CA . 16570 1 541 . 1 1 43 43 SER CB C 13 63.7 0.2 . 1 . . . . 43 SER CB . 16570 1 542 . 1 1 43 43 SER N N 15 114.4 0.2 . 1 . . . . 43 SER N . 16570 1 543 . 1 1 44 44 ILE H H 1 7.03 0.02 . 1 . . . . 44 ILE H . 16570 1 544 . 1 1 44 44 ILE HA H 1 3.81 0.02 . 1 . . . . 44 ILE HA . 16570 1 545 . 1 1 44 44 ILE HB H 1 1.69 0.02 . 1 . . . . 44 ILE HB . 16570 1 546 . 1 1 44 44 ILE HD11 H 1 0.77 0.02 . 1 . . . . 44 ILE HD1 . 16570 1 547 . 1 1 44 44 ILE HD12 H 1 0.77 0.02 . 1 . . . . 44 ILE HD1 . 16570 1 548 . 1 1 44 44 ILE HD13 H 1 0.77 0.02 . 1 . . . . 44 ILE HD1 . 16570 1 549 . 1 1 44 44 ILE HG12 H 1 1.02 0.02 . 2 . . . . 44 ILE HG12 . 16570 1 550 . 1 1 44 44 ILE HG13 H 1 1.37 0.02 . 2 . . . . 44 ILE HG13 . 16570 1 551 . 1 1 44 44 ILE HG21 H 1 0.71 0.02 . 1 . . . . 44 ILE HG2 . 16570 1 552 . 1 1 44 44 ILE HG22 H 1 0.71 0.02 . 1 . . . . 44 ILE HG2 . 16570 1 553 . 1 1 44 44 ILE HG23 H 1 0.71 0.02 . 1 . . . . 44 ILE HG2 . 16570 1 554 . 1 1 44 44 ILE C C 13 174.8 0.2 . 1 . . . . 44 ILE C . 16570 1 555 . 1 1 44 44 ILE CA C 13 61.4 0.2 . 1 . . . . 44 ILE CA . 16570 1 556 . 1 1 44 44 ILE CB C 13 38.8 0.2 . 1 . . . . 44 ILE CB . 16570 1 557 . 1 1 44 44 ILE CD1 C 13 13.5 0.2 . 1 . . . . 44 ILE CD1 . 16570 1 558 . 1 1 44 44 ILE CG1 C 13 27.1 0.2 . 1 . . . . 44 ILE CG1 . 16570 1 559 . 1 1 44 44 ILE CG2 C 13 17.3 0.2 . 1 . . . . 44 ILE CG2 . 16570 1 560 . 1 1 44 44 ILE N N 15 120.8 0.2 . 1 . . . . 44 ILE N . 16570 1 561 . 1 1 45 45 ASN H H 1 8.52 0.02 . 1 . . . . 45 ASN H . 16570 1 562 . 1 1 45 45 ASN HA H 1 4.87 0.02 . 1 . . . . 45 ASN HA . 16570 1 563 . 1 1 45 45 ASN HB2 H 1 2.70 0.02 . 2 . . . . 45 ASN HB2 . 16570 1 564 . 1 1 45 45 ASN HB3 H 1 2.94 0.02 . 2 . . . . 45 ASN HB3 . 16570 1 565 . 1 1 45 45 ASN HD21 H 1 7.00 0.02 . 2 . . . . 45 ASN HD21 . 16570 1 566 . 1 1 45 45 ASN HD22 H 1 7.58 0.02 . 2 . . . . 45 ASN HD22 . 16570 1 567 . 1 1 45 45 ASN C C 13 176.6 0.2 . 1 . . . . 45 ASN C . 16570 1 568 . 1 1 45 45 ASN CA C 13 51.5 0.2 . 1 . . . . 45 ASN CA . 16570 1 569 . 1 1 45 45 ASN CB C 13 38.2 0.2 . 1 . . . . 45 ASN CB . 16570 1 570 . 1 1 45 45 ASN CG C 13 177.1 0.2 . 1 . . . . 45 ASN CG . 16570 1 571 . 1 1 45 45 ASN N N 15 124.5 0.2 . 1 . . . . 45 ASN N . 16570 1 572 . 1 1 45 45 ASN ND2 N 15 111.8 0.2 . 1 . . . . 45 ASN ND2 . 16570 1 573 . 1 1 46 46 VAL H H 1 8.54 0.02 . 1 . . . . 46 VAL H . 16570 1 574 . 1 1 46 46 VAL HA H 1 3.70 0.02 . 1 . . . . 46 VAL HA . 16570 1 575 . 1 1 46 46 VAL HB H 1 2.22 0.02 . 1 . . . . 46 VAL HB . 16570 1 576 . 1 1 46 46 VAL HG11 H 1 0.96 0.02 . 1 . . . . 46 VAL HG1 . 16570 1 577 . 1 1 46 46 VAL HG12 H 1 0.96 0.02 . 1 . . . . 46 VAL HG1 . 16570 1 578 . 1 1 46 46 VAL HG13 H 1 0.96 0.02 . 1 . . . . 46 VAL HG1 . 16570 1 579 . 1 1 46 46 VAL HG21 H 1 0.95 0.02 . 1 . . . . 46 VAL HG2 . 16570 1 580 . 1 1 46 46 VAL HG22 H 1 0.95 0.02 . 1 . . . . 46 VAL HG2 . 16570 1 581 . 1 1 46 46 VAL HG23 H 1 0.95 0.02 . 1 . . . . 46 VAL HG2 . 16570 1 582 . 1 1 46 46 VAL C C 13 176.5 0.2 . 1 . . . . 46 VAL C . 16570 1 583 . 1 1 46 46 VAL CA C 13 64.8 0.2 . 1 . . . . 46 VAL CA . 16570 1 584 . 1 1 46 46 VAL CB C 13 31.5 0.2 . 1 . . . . 46 VAL CB . 16570 1 585 . 1 1 46 46 VAL CG1 C 13 21.6 0.2 . 1 . . . . 46 VAL CG1 . 16570 1 586 . 1 1 46 46 VAL CG2 C 13 20.3 0.2 . 1 . . . . 46 VAL CG2 . 16570 1 587 . 1 1 46 46 VAL N N 15 121.7 0.2 . 1 . . . . 46 VAL N . 16570 1 588 . 1 1 47 47 ASN H H 1 8.16 0.02 . 1 . . . . 47 ASN H . 16570 1 589 . 1 1 47 47 ASN HA H 1 4.58 0.02 . 1 . . . . 47 ASN HA . 16570 1 590 . 1 1 47 47 ASN HB2 H 1 2.82 0.02 . 2 . . . . 47 ASN HB2 . 16570 1 591 . 1 1 47 47 ASN HB3 H 1 2.86 0.02 . 2 . . . . 47 ASN HB3 . 16570 1 592 . 1 1 47 47 ASN HD21 H 1 7.00 0.02 . 2 . . . . 47 ASN HD21 . 16570 1 593 . 1 1 47 47 ASN HD22 H 1 7.67 0.02 . 2 . . . . 47 ASN HD22 . 16570 1 594 . 1 1 47 47 ASN C C 13 175.8 0.2 . 1 . . . . 47 ASN C . 16570 1 595 . 1 1 47 47 ASN CA C 13 54.8 0.2 . 1 . . . . 47 ASN CA . 16570 1 596 . 1 1 47 47 ASN CB C 13 38.4 0.2 . 1 . . . . 47 ASN CB . 16570 1 597 . 1 1 47 47 ASN CG C 13 176.9 0.2 . 1 . . . . 47 ASN CG . 16570 1 598 . 1 1 47 47 ASN N N 15 116.6 0.2 . 1 . . . . 47 ASN N . 16570 1 599 . 1 1 47 47 ASN ND2 N 15 113.7 0.2 . 1 . . . . 47 ASN ND2 . 16570 1 600 . 1 1 48 48 GLU H H 1 7.60 0.02 . 1 . . . . 48 GLU H . 16570 1 601 . 1 1 48 48 GLU HA H 1 4.40 0.02 . 1 . . . . 48 GLU HA . 16570 1 602 . 1 1 48 48 GLU HB2 H 1 1.89 0.02 . 2 . . . . 48 GLU HB2 . 16570 1 603 . 1 1 48 48 GLU HB3 H 1 2.30 0.02 . 2 . . . . 48 GLU HB3 . 16570 1 604 . 1 1 48 48 GLU HG2 H 1 2.26 0.02 . 2 . . . . 48 GLU HG2 . 16570 1 605 . 1 1 48 48 GLU HG3 H 1 2.29 0.02 . 2 . . . . 48 GLU HG3 . 16570 1 606 . 1 1 48 48 GLU C C 13 175.2 0.2 . 1 . . . . 48 GLU C . 16570 1 607 . 1 1 48 48 GLU CA C 13 55.2 0.2 . 1 . . . . 48 GLU CA . 16570 1 608 . 1 1 48 48 GLU CB C 13 30.1 0.2 . 1 . . . . 48 GLU CB . 16570 1 609 . 1 1 48 48 GLU CG C 13 35.0 0.2 . 1 . . . . 48 GLU CG . 16570 1 610 . 1 1 48 48 GLU N N 15 116.6 0.2 . 1 . . . . 48 GLU N . 16570 1 611 . 1 1 49 49 LEU H H 1 7.09 0.02 . 1 . . . . 49 LEU H . 16570 1 612 . 1 1 49 49 LEU HA H 1 4.48 0.02 . 1 . . . . 49 LEU HA . 16570 1 613 . 1 1 49 49 LEU HB2 H 1 1.28 0.02 . 2 . . . . 49 LEU HB2 . 16570 1 614 . 1 1 49 49 LEU HB3 H 1 1.65 0.02 . 2 . . . . 49 LEU HB3 . 16570 1 615 . 1 1 49 49 LEU HD11 H 1 0.75 0.02 . 1 . . . . 49 LEU HD1 . 16570 1 616 . 1 1 49 49 LEU HD12 H 1 0.75 0.02 . 1 . . . . 49 LEU HD1 . 16570 1 617 . 1 1 49 49 LEU HD13 H 1 0.75 0.02 . 1 . . . . 49 LEU HD1 . 16570 1 618 . 1 1 49 49 LEU HD21 H 1 0.74 0.02 . 1 . . . . 49 LEU HD2 . 16570 1 619 . 1 1 49 49 LEU HD22 H 1 0.74 0.02 . 1 . . . . 49 LEU HD2 . 16570 1 620 . 1 1 49 49 LEU HD23 H 1 0.74 0.02 . 1 . . . . 49 LEU HD2 . 16570 1 621 . 1 1 49 49 LEU HG H 1 1.64 0.02 . 1 . . . . 49 LEU HG . 16570 1 622 . 1 1 49 49 LEU C C 13 174.8 0.2 . 1 . . . . 49 LEU C . 16570 1 623 . 1 1 49 49 LEU CA C 13 54.0 0.2 . 1 . . . . 49 LEU CA . 16570 1 624 . 1 1 49 49 LEU CB C 13 44.1 0.2 . 1 . . . . 49 LEU CB . 16570 1 625 . 1 1 49 49 LEU CD1 C 13 25.9 0.2 . 1 . . . . 49 LEU CD1 . 16570 1 626 . 1 1 49 49 LEU CD2 C 13 23.3 0.2 . 1 . . . . 49 LEU CD2 . 16570 1 627 . 1 1 49 49 LEU CG C 13 26.5 0.2 . 1 . . . . 49 LEU CG . 16570 1 628 . 1 1 49 49 LEU N N 15 121.0 0.2 . 1 . . . . 49 LEU N . 16570 1 629 . 1 1 50 50 PHE H H 1 7.87 0.02 . 1 . . . . 50 PHE H . 16570 1 630 . 1 1 50 50 PHE HA H 1 4.89 0.02 . 1 . . . . 50 PHE HA . 16570 1 631 . 1 1 50 50 PHE HB2 H 1 2.88 0.02 . 2 . . . . 50 PHE HB2 . 16570 1 632 . 1 1 50 50 PHE HB3 H 1 3.23 0.02 . 2 . . . . 50 PHE HB3 . 16570 1 633 . 1 1 50 50 PHE HD1 H 1 7.09 0.02 . 3 . . . . 50 PHE HD1 . 16570 1 634 . 1 1 50 50 PHE HE1 H 1 7.12 0.02 . 3 . . . . 50 PHE HE1 . 16570 1 635 . 1 1 50 50 PHE HZ H 1 7.14 0.02 . 1 . . . . 50 PHE HZ . 16570 1 636 . 1 1 50 50 PHE C C 13 173.6 0.2 . 1 . . . . 50 PHE C . 16570 1 637 . 1 1 50 50 PHE CA C 13 57.1 0.2 . 1 . . . . 50 PHE CA . 16570 1 638 . 1 1 50 50 PHE CB C 13 41.2 0.2 . 1 . . . . 50 PHE CB . 16570 1 639 . 1 1 50 50 PHE CD1 C 13 132.8 0.2 . 3 . . . . 50 PHE CD1 . 16570 1 640 . 1 1 50 50 PHE CE1 C 13 130.7 0.2 . 3 . . . . 50 PHE CE1 . 16570 1 641 . 1 1 50 50 PHE CZ C 13 129.5 0.2 . 1 . . . . 50 PHE CZ . 16570 1 642 . 1 1 50 50 PHE N N 15 116.8 0.2 . 1 . . . . 50 PHE N . 16570 1 643 . 1 1 51 51 ALA H H 1 8.76 0.02 . 1 . . . . 51 ALA H . 16570 1 644 . 1 1 51 51 ALA HA H 1 5.18 0.02 . 1 . . . . 51 ALA HA . 16570 1 645 . 1 1 51 51 ALA HB1 H 1 1.13 0.02 . 1 . . . . 51 ALA HB . 16570 1 646 . 1 1 51 51 ALA HB2 H 1 1.13 0.02 . 1 . . . . 51 ALA HB . 16570 1 647 . 1 1 51 51 ALA HB3 H 1 1.13 0.02 . 1 . . . . 51 ALA HB . 16570 1 648 . 1 1 51 51 ALA C C 13 175.7 0.2 . 1 . . . . 51 ALA C . 16570 1 649 . 1 1 51 51 ALA CA C 13 49.9 0.2 . 1 . . . . 51 ALA CA . 16570 1 650 . 1 1 51 51 ALA CB C 13 21.9 0.2 . 1 . . . . 51 ALA CB . 16570 1 651 . 1 1 51 51 ALA N N 15 124.4 0.2 . 1 . . . . 51 ALA N . 16570 1 652 . 1 1 52 52 TYR H H 1 9.56 0.02 . 1 . . . . 52 TYR H . 16570 1 653 . 1 1 52 52 TYR HA H 1 6.15 0.02 . 1 . . . . 52 TYR HA . 16570 1 654 . 1 1 52 52 TYR HB2 H 1 2.85 0.02 . 2 . . . . 52 TYR HB2 . 16570 1 655 . 1 1 52 52 TYR HB3 H 1 2.89 0.02 . 2 . . . . 52 TYR HB3 . 16570 1 656 . 1 1 52 52 TYR HD1 H 1 6.69 0.02 . 3 . . . . 52 TYR HD1 . 16570 1 657 . 1 1 52 52 TYR HE1 H 1 6.58 0.02 . 3 . . . . 52 TYR HE1 . 16570 1 658 . 1 1 52 52 TYR C C 13 173.8 0.2 . 1 . . . . 52 TYR C . 16570 1 659 . 1 1 52 52 TYR CA C 13 56.5 0.2 . 1 . . . . 52 TYR CA . 16570 1 660 . 1 1 52 52 TYR CB C 13 42.5 0.2 . 1 . . . . 52 TYR CB . 16570 1 661 . 1 1 52 52 TYR CD1 C 13 133.4 0.2 . 3 . . . . 52 TYR CD1 . 16570 1 662 . 1 1 52 52 TYR CE1 C 13 118.0 0.2 . 3 . . . . 52 TYR CE1 . 16570 1 663 . 1 1 52 52 TYR N N 15 116.7 0.2 . 1 . . . . 52 TYR N . 16570 1 664 . 1 1 53 53 VAL H H 1 7.94 0.02 . 1 . . . . 53 VAL H . 16570 1 665 . 1 1 53 53 VAL HA H 1 4.61 0.02 . 1 . . . . 53 VAL HA . 16570 1 666 . 1 1 53 53 VAL HB H 1 1.68 0.02 . 1 . . . . 53 VAL HB . 16570 1 667 . 1 1 53 53 VAL HG11 H 1 0.75 0.02 . 1 . . . . 53 VAL HG1 . 16570 1 668 . 1 1 53 53 VAL HG12 H 1 0.75 0.02 . 1 . . . . 53 VAL HG1 . 16570 1 669 . 1 1 53 53 VAL HG13 H 1 0.75 0.02 . 1 . . . . 53 VAL HG1 . 16570 1 670 . 1 1 53 53 VAL HG21 H 1 0.51 0.02 . 1 . . . . 53 VAL HG2 . 16570 1 671 . 1 1 53 53 VAL HG22 H 1 0.51 0.02 . 1 . . . . 53 VAL HG2 . 16570 1 672 . 1 1 53 53 VAL HG23 H 1 0.51 0.02 . 1 . . . . 53 VAL HG2 . 16570 1 673 . 1 1 53 53 VAL C C 13 174.0 0.2 . 1 . . . . 53 VAL C . 16570 1 674 . 1 1 53 53 VAL CA C 13 58.5 0.2 . 1 . . . . 53 VAL CA . 16570 1 675 . 1 1 53 53 VAL CB C 13 34.6 0.2 . 1 . . . . 53 VAL CB . 16570 1 676 . 1 1 53 53 VAL CG1 C 13 23.6 0.2 . 1 . . . . 53 VAL CG1 . 16570 1 677 . 1 1 53 53 VAL CG2 C 13 18.1 0.2 . 1 . . . . 53 VAL CG2 . 16570 1 678 . 1 1 53 53 VAL N N 15 109.3 0.2 . 1 . . . . 53 VAL N . 16570 1 679 . 1 1 54 54 ASP H H 1 9.38 0.02 . 1 . . . . 54 ASP H . 16570 1 680 . 1 1 54 54 ASP HA H 1 4.97 0.02 . 1 . . . . 54 ASP HA . 16570 1 681 . 1 1 54 54 ASP HB2 H 1 2.42 0.02 . 2 . . . . 54 ASP HB2 . 16570 1 682 . 1 1 54 54 ASP HB3 H 1 3.16 0.02 . 2 . . . . 54 ASP HB3 . 16570 1 683 . 1 1 54 54 ASP C C 13 175.9 0.2 . 1 . . . . 54 ASP C . 16570 1 684 . 1 1 54 54 ASP CA C 13 52.6 0.2 . 1 . . . . 54 ASP CA . 16570 1 685 . 1 1 54 54 ASP CB C 13 42.2 0.2 . 1 . . . . 54 ASP CB . 16570 1 686 . 1 1 54 54 ASP N N 15 122.7 0.2 . 1 . . . . 54 ASP N . 16570 1 687 . 1 1 55 55 LEU H H 1 8.69 0.02 . 1 . . . . 55 LEU H . 16570 1 688 . 1 1 55 55 LEU HA H 1 4.27 0.02 . 1 . . . . 55 LEU HA . 16570 1 689 . 1 1 55 55 LEU HB2 H 1 1.38 0.02 . 2 . . . . 55 LEU HB2 . 16570 1 690 . 1 1 55 55 LEU HB3 H 1 1.75 0.02 . 2 . . . . 55 LEU HB3 . 16570 1 691 . 1 1 55 55 LEU HD11 H 1 0.43 0.02 . 1 . . . . 55 LEU HD1 . 16570 1 692 . 1 1 55 55 LEU HD12 H 1 0.43 0.02 . 1 . . . . 55 LEU HD1 . 16570 1 693 . 1 1 55 55 LEU HD13 H 1 0.43 0.02 . 1 . . . . 55 LEU HD1 . 16570 1 694 . 1 1 55 55 LEU HD21 H 1 0.27 0.02 . 1 . . . . 55 LEU HD2 . 16570 1 695 . 1 1 55 55 LEU HD22 H 1 0.27 0.02 . 1 . . . . 55 LEU HD2 . 16570 1 696 . 1 1 55 55 LEU HD23 H 1 0.27 0.02 . 1 . . . . 55 LEU HD2 . 16570 1 697 . 1 1 55 55 LEU HG H 1 1.28 0.02 . 1 . . . . 55 LEU HG . 16570 1 698 . 1 1 55 55 LEU C C 13 177.4 0.2 . 1 . . . . 55 LEU C . 16570 1 699 . 1 1 55 55 LEU CA C 13 55.2 0.2 . 1 . . . . 55 LEU CA . 16570 1 700 . 1 1 55 55 LEU CB C 13 41.1 0.2 . 1 . . . . 55 LEU CB . 16570 1 701 . 1 1 55 55 LEU CD1 C 13 25.8 0.2 . 1 . . . . 55 LEU CD1 . 16570 1 702 . 1 1 55 55 LEU CD2 C 13 24.8 0.2 . 1 . . . . 55 LEU CD2 . 16570 1 703 . 1 1 55 55 LEU CG C 13 28.7 0.2 . 1 . . . . 55 LEU CG . 16570 1 704 . 1 1 55 55 LEU N N 15 125.8 0.2 . 1 . . . . 55 LEU N . 16570 1 705 . 1 1 56 56 SER H H 1 8.38 0.02 . 1 . . . . 56 SER H . 16570 1 706 . 1 1 56 56 SER HA H 1 4.19 0.02 . 1 . . . . 56 SER HA . 16570 1 707 . 1 1 56 56 SER HB2 H 1 3.81 0.02 . 2 . . . . 56 SER HB2 . 16570 1 708 . 1 1 56 56 SER HB3 H 1 3.85 0.02 . 2 . . . . 56 SER HB3 . 16570 1 709 . 1 1 56 56 SER C C 13 176.6 0.2 . 1 . . . . 56 SER C . 16570 1 710 . 1 1 56 56 SER CA C 13 60.9 0.2 . 1 . . . . 56 SER CA . 16570 1 711 . 1 1 56 56 SER CB C 13 63.2 0.2 . 1 . . . . 56 SER CB . 16570 1 712 . 1 1 56 56 SER N N 15 117.3 0.2 . 1 . . . . 56 SER N . 16570 1 713 . 1 1 57 57 GLY H H 1 9.13 0.02 . 1 . . . . 57 GLY H . 16570 1 714 . 1 1 57 57 GLY HA2 H 1 3.81 0.02 . 2 . . . . 57 GLY HA2 . 16570 1 715 . 1 1 57 57 GLY HA3 H 1 4.02 0.02 . 2 . . . . 57 GLY HA3 . 16570 1 716 . 1 1 57 57 GLY C C 13 174.7 0.2 . 1 . . . . 57 GLY C . 16570 1 717 . 1 1 57 57 GLY CA C 13 45.8 0.2 . 1 . . . . 57 GLY CA . 16570 1 718 . 1 1 57 57 GLY N N 15 114.2 0.2 . 1 . . . . 57 GLY N . 16570 1 719 . 1 1 58 58 SER H H 1 7.78 0.02 . 1 . . . . 58 SER H . 16570 1 720 . 1 1 58 58 SER HA H 1 4.25 0.02 . 1 . . . . 58 SER HA . 16570 1 721 . 1 1 58 58 SER HB2 H 1 3.64 0.02 . 2 . . . . 58 SER HB2 . 16570 1 722 . 1 1 58 58 SER HB3 H 1 3.78 0.02 . 2 . . . . 58 SER HB3 . 16570 1 723 . 1 1 58 58 SER C C 13 173.5 0.2 . 1 . . . . 58 SER C . 16570 1 724 . 1 1 58 58 SER CA C 13 59.8 0.2 . 1 . . . . 58 SER CA . 16570 1 725 . 1 1 58 58 SER CB C 13 64.6 0.2 . 1 . . . . 58 SER CB . 16570 1 726 . 1 1 58 58 SER N N 15 114.8 0.2 . 1 . . . . 58 SER N . 16570 1 727 . 1 1 59 59 GLU H H 1 8.34 0.02 . 1 . . . . 59 GLU H . 16570 1 728 . 1 1 59 59 GLU HA H 1 4.70 0.02 . 1 . . . . 59 GLU HA . 16570 1 729 . 1 1 59 59 GLU HB2 H 1 1.69 0.02 . 2 . . . . 59 GLU HB2 . 16570 1 730 . 1 1 59 59 GLU HB3 H 1 2.18 0.02 . 2 . . . . 59 GLU HB3 . 16570 1 731 . 1 1 59 59 GLU HG2 H 1 2.29 0.02 . 2 . . . . 59 GLU HG2 . 16570 1 732 . 1 1 59 59 GLU HG3 H 1 2.38 0.02 . 2 . . . . 59 GLU HG3 . 16570 1 733 . 1 1 59 59 GLU CA C 13 53.6 0.2 . 1 . . . . 59 GLU CA . 16570 1 734 . 1 1 59 59 GLU CB C 13 29.7 0.2 . 1 . . . . 59 GLU CB . 16570 1 735 . 1 1 59 59 GLU CG C 13 34.6 0.2 . 1 . . . . 59 GLU CG . 16570 1 736 . 1 1 59 59 GLU N N 15 122.5 0.2 . 1 . . . . 59 GLU N . 16570 1 737 . 1 1 60 60 PRO HA H 1 4.13 0.02 . 1 . . . . 60 PRO HA . 16570 1 738 . 1 1 60 60 PRO HB2 H 1 1.85 0.02 . 2 . . . . 60 PRO HB2 . 16570 1 739 . 1 1 60 60 PRO HB3 H 1 2.16 0.02 . 2 . . . . 60 PRO HB3 . 16570 1 740 . 1 1 60 60 PRO HD2 H 1 3.63 0.02 . 2 . . . . 60 PRO HD2 . 16570 1 741 . 1 1 60 60 PRO HD3 H 1 3.74 0.02 . 2 . . . . 60 PRO HD3 . 16570 1 742 . 1 1 60 60 PRO HG2 H 1 1.49 0.02 . 2 . . . . 60 PRO HG2 . 16570 1 743 . 1 1 60 60 PRO HG3 H 1 1.80 0.02 . 2 . . . . 60 PRO HG3 . 16570 1 744 . 1 1 60 60 PRO C C 13 175.7 0.2 . 1 . . . . 60 PRO C . 16570 1 745 . 1 1 60 60 PRO CA C 13 63.9 0.2 . 1 . . . . 60 PRO CA . 16570 1 746 . 1 1 60 60 PRO CB C 13 32.3 0.2 . 1 . . . . 60 PRO CB . 16570 1 747 . 1 1 60 60 PRO CD C 13 50.4 0.2 . 1 . . . . 60 PRO CD . 16570 1 748 . 1 1 60 60 PRO CG C 13 27.8 0.2 . 1 . . . . 60 PRO CG . 16570 1 749 . 1 1 61 61 GLY H H 1 8.86 0.02 . 1 . . . . 61 GLY H . 16570 1 750 . 1 1 61 61 GLY HA2 H 1 3.75 0.02 . 2 . . . . 61 GLY HA2 . 16570 1 751 . 1 1 61 61 GLY HA3 H 1 4.41 0.02 . 2 . . . . 61 GLY HA3 . 16570 1 752 . 1 1 61 61 GLY C C 13 172.1 0.2 . 1 . . . . 61 GLY C . 16570 1 753 . 1 1 61 61 GLY CA C 13 43.7 0.2 . 1 . . . . 61 GLY CA . 16570 1 754 . 1 1 61 61 GLY N N 15 110.8 0.2 . 1 . . . . 61 GLY N . 16570 1 755 . 1 1 62 62 GLU H H 1 8.26 0.02 . 1 . . . . 62 GLU H . 16570 1 756 . 1 1 62 62 GLU HA H 1 5.02 0.02 . 1 . . . . 62 GLU HA . 16570 1 757 . 1 1 62 62 GLU HB2 H 1 1.79 0.02 . 2 . . . . 62 GLU HB2 . 16570 1 758 . 1 1 62 62 GLU HB3 H 1 1.82 0.02 . 2 . . . . 62 GLU HB3 . 16570 1 759 . 1 1 62 62 GLU HG2 H 1 1.98 0.02 . 2 . . . . 62 GLU HG2 . 16570 1 760 . 1 1 62 62 GLU HG3 H 1 2.00 0.02 . 2 . . . . 62 GLU HG3 . 16570 1 761 . 1 1 62 62 GLU C C 13 175.2 0.2 . 1 . . . . 62 GLU C . 16570 1 762 . 1 1 62 62 GLU CA C 13 55.1 0.2 . 1 . . . . 62 GLU CA . 16570 1 763 . 1 1 62 62 GLU CB C 13 30.6 0.2 . 1 . . . . 62 GLU CB . 16570 1 764 . 1 1 62 62 GLU CG C 13 35.5 0.2 . 1 . . . . 62 GLU CG . 16570 1 765 . 1 1 62 62 GLU N N 15 121.5 0.2 . 1 . . . . 62 GLU N . 16570 1 766 . 1 1 63 63 HIS H H 1 8.63 0.02 . 1 . . . . 63 HIS H . 16570 1 767 . 1 1 63 63 HIS HA H 1 4.82 0.02 . 1 . . . . 63 HIS HA . 16570 1 768 . 1 1 63 63 HIS HB2 H 1 2.87 0.02 . 2 . . . . 63 HIS HB2 . 16570 1 769 . 1 1 63 63 HIS HB3 H 1 2.91 0.02 . 2 . . . . 63 HIS HB3 . 16570 1 770 . 1 1 63 63 HIS HD2 H 1 6.90 0.02 . 1 . . . . 63 HIS HD2 . 16570 1 771 . 1 1 63 63 HIS C C 13 171.0 0.2 . 1 . . . . 63 HIS C . 16570 1 772 . 1 1 63 63 HIS CA C 13 53.7 0.2 . 1 . . . . 63 HIS CA . 16570 1 773 . 1 1 63 63 HIS CB C 13 32.1 0.2 . 1 . . . . 63 HIS CB . 16570 1 774 . 1 1 63 63 HIS CD2 C 13 120.9 0.2 . 1 . . . . 63 HIS CD2 . 16570 1 775 . 1 1 63 63 HIS N N 15 121.4 0.2 . 1 . . . . 63 HIS N . 16570 1 776 . 1 1 64 64 ASP H H 1 8.12 0.02 . 1 . . . . 64 ASP H . 16570 1 777 . 1 1 64 64 ASP HA H 1 5.33 0.02 . 1 . . . . 64 ASP HA . 16570 1 778 . 1 1 64 64 ASP HB2 H 1 2.22 0.02 . 2 . . . . 64 ASP HB2 . 16570 1 779 . 1 1 64 64 ASP HB3 H 1 2.40 0.02 . 2 . . . . 64 ASP HB3 . 16570 1 780 . 1 1 64 64 ASP C C 13 175.9 0.2 . 1 . . . . 64 ASP C . 16570 1 781 . 1 1 64 64 ASP CA C 13 52.7 0.2 . 1 . . . . 64 ASP CA . 16570 1 782 . 1 1 64 64 ASP CB C 13 41.2 0.2 . 1 . . . . 64 ASP CB . 16570 1 783 . 1 1 64 64 ASP N N 15 120.7 0.2 . 1 . . . . 64 ASP N . 16570 1 784 . 1 1 65 65 TYR H H 1 9.12 0.02 . 1 . . . . 65 TYR H . 16570 1 785 . 1 1 65 65 TYR HA H 1 4.61 0.02 . 1 . . . . 65 TYR HA . 16570 1 786 . 1 1 65 65 TYR HB2 H 1 2.46 0.02 . 2 . . . . 65 TYR HB2 . 16570 1 787 . 1 1 65 65 TYR HB3 H 1 3.03 0.02 . 2 . . . . 65 TYR HB3 . 16570 1 788 . 1 1 65 65 TYR HD1 H 1 7.03 0.02 . 3 . . . . 65 TYR HD1 . 16570 1 789 . 1 1 65 65 TYR HE1 H 1 6.63 0.02 . 3 . . . . 65 TYR HE1 . 16570 1 790 . 1 1 65 65 TYR C C 13 174.5 0.2 . 1 . . . . 65 TYR C . 16570 1 791 . 1 1 65 65 TYR CA C 13 57.5 0.2 . 1 . . . . 65 TYR CA . 16570 1 792 . 1 1 65 65 TYR CB C 13 42.1 0.2 . 1 . . . . 65 TYR CB . 16570 1 793 . 1 1 65 65 TYR CD1 C 13 133.8 0.2 . 3 . . . . 65 TYR CD1 . 16570 1 794 . 1 1 65 65 TYR CE1 C 13 118.1 0.2 . 3 . . . . 65 TYR CE1 . 16570 1 795 . 1 1 65 65 TYR N N 15 120.0 0.2 . 1 . . . . 65 TYR N . 16570 1 796 . 1 1 66 66 GLU H H 1 8.73 0.02 . 1 . . . . 66 GLU H . 16570 1 797 . 1 1 66 66 GLU HA H 1 4.44 0.02 . 1 . . . . 66 GLU HA . 16570 1 798 . 1 1 66 66 GLU HB2 H 1 1.96 0.02 . 2 . . . . 66 GLU HB2 . 16570 1 799 . 1 1 66 66 GLU HB3 H 1 2.00 0.02 . 2 . . . . 66 GLU HB3 . 16570 1 800 . 1 1 66 66 GLU HG2 H 1 2.16 0.02 . 2 . . . . 66 GLU HG2 . 16570 1 801 . 1 1 66 66 GLU HG3 H 1 2.39 0.02 . 2 . . . . 66 GLU HG3 . 16570 1 802 . 1 1 66 66 GLU C C 13 175.3 0.2 . 1 . . . . 66 GLU C . 16570 1 803 . 1 1 66 66 GLU CA C 13 56.3 0.2 . 1 . . . . 66 GLU CA . 16570 1 804 . 1 1 66 66 GLU CB C 13 30.6 0.2 . 1 . . . . 66 GLU CB . 16570 1 805 . 1 1 66 66 GLU CG C 13 35.9 0.2 . 1 . . . . 66 GLU CG . 16570 1 806 . 1 1 66 66 GLU N N 15 123.0 0.2 . 1 . . . . 66 GLU N . 16570 1 807 . 1 1 67 67 VAL H H 1 8.03 0.02 . 1 . . . . 67 VAL H . 16570 1 808 . 1 1 67 67 VAL HA H 1 3.75 0.02 . 1 . . . . 67 VAL HA . 16570 1 809 . 1 1 67 67 VAL HB H 1 1.85 0.02 . 1 . . . . 67 VAL HB . 16570 1 810 . 1 1 67 67 VAL HG11 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 16570 1 811 . 1 1 67 67 VAL HG12 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 16570 1 812 . 1 1 67 67 VAL HG13 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 16570 1 813 . 1 1 67 67 VAL HG21 H 1 0.66 0.02 . 1 . . . . 67 VAL HG2 . 16570 1 814 . 1 1 67 67 VAL HG22 H 1 0.66 0.02 . 1 . . . . 67 VAL HG2 . 16570 1 815 . 1 1 67 67 VAL HG23 H 1 0.66 0.02 . 1 . . . . 67 VAL HG2 . 16570 1 816 . 1 1 67 67 VAL C C 13 175.0 0.2 . 1 . . . . 67 VAL C . 16570 1 817 . 1 1 67 67 VAL CA C 13 63.4 0.2 . 1 . . . . 67 VAL CA . 16570 1 818 . 1 1 67 67 VAL CB C 13 32.0 0.2 . 1 . . . . 67 VAL CB . 16570 1 819 . 1 1 67 67 VAL CG1 C 13 23.3 0.2 . 1 . . . . 67 VAL CG1 . 16570 1 820 . 1 1 67 67 VAL CG2 C 13 22.3 0.2 . 1 . . . . 67 VAL CG2 . 16570 1 821 . 1 1 67 67 VAL N N 15 126.9 0.2 . 1 . . . . 67 VAL N . 16570 1 822 . 1 1 68 68 LYS H H 1 8.81 0.02 . 1 . . . . 68 LYS H . 16570 1 823 . 1 1 68 68 LYS HA H 1 4.44 0.02 . 1 . . . . 68 LYS HA . 16570 1 824 . 1 1 68 68 LYS HB2 H 1 0.31 0.02 . 2 . . . . 68 LYS HB2 . 16570 1 825 . 1 1 68 68 LYS HB3 H 1 1.26 0.02 . 2 . . . . 68 LYS HB3 . 16570 1 826 . 1 1 68 68 LYS HD2 H 1 1.46 0.02 . 2 . . . . 68 LYS HD2 . 16570 1 827 . 1 1 68 68 LYS HD3 H 1 1.52 0.02 . 2 . . . . 68 LYS HD3 . 16570 1 828 . 1 1 68 68 LYS HE2 H 1 2.97 0.02 . 2 . . . . 68 LYS HE2 . 16570 1 829 . 1 1 68 68 LYS HE3 H 1 2.99 0.02 . 2 . . . . 68 LYS HE3 . 16570 1 830 . 1 1 68 68 LYS HG2 H 1 1.15 0.02 . 2 . . . . 68 LYS HG2 . 16570 1 831 . 1 1 68 68 LYS HG3 H 1 1.18 0.02 . 2 . . . . 68 LYS HG3 . 16570 1 832 . 1 1 68 68 LYS C C 13 174.4 0.2 . 1 . . . . 68 LYS C . 16570 1 833 . 1 1 68 68 LYS CA C 13 54.2 0.2 . 1 . . . . 68 LYS CA . 16570 1 834 . 1 1 68 68 LYS CB C 13 34.6 0.2 . 1 . . . . 68 LYS CB . 16570 1 835 . 1 1 68 68 LYS CD C 13 28.9 0.2 . 1 . . . . 68 LYS CD . 16570 1 836 . 1 1 68 68 LYS CE C 13 42.3 0.2 . 1 . . . . 68 LYS CE . 16570 1 837 . 1 1 68 68 LYS CG C 13 24.8 0.2 . 1 . . . . 68 LYS CG . 16570 1 838 . 1 1 68 68 LYS N N 15 127.5 0.2 . 1 . . . . 68 LYS N . 16570 1 839 . 1 1 69 69 VAL H H 1 8.05 0.02 . 1 . . . . 69 VAL H . 16570 1 840 . 1 1 69 69 VAL HA H 1 4.28 0.02 . 1 . . . . 69 VAL HA . 16570 1 841 . 1 1 69 69 VAL HB H 1 1.72 0.02 . 1 . . . . 69 VAL HB . 16570 1 842 . 1 1 69 69 VAL HG11 H 1 0.88 0.02 . 1 . . . . 69 VAL HG1 . 16570 1 843 . 1 1 69 69 VAL HG12 H 1 0.88 0.02 . 1 . . . . 69 VAL HG1 . 16570 1 844 . 1 1 69 69 VAL HG13 H 1 0.88 0.02 . 1 . . . . 69 VAL HG1 . 16570 1 845 . 1 1 69 69 VAL HG21 H 1 0.71 0.02 . 1 . . . . 69 VAL HG2 . 16570 1 846 . 1 1 69 69 VAL HG22 H 1 0.71 0.02 . 1 . . . . 69 VAL HG2 . 16570 1 847 . 1 1 69 69 VAL HG23 H 1 0.71 0.02 . 1 . . . . 69 VAL HG2 . 16570 1 848 . 1 1 69 69 VAL C C 13 175.8 0.2 . 1 . . . . 69 VAL C . 16570 1 849 . 1 1 69 69 VAL CA C 13 61.4 0.2 . 1 . . . . 69 VAL CA . 16570 1 850 . 1 1 69 69 VAL CB C 13 35.2 0.2 . 1 . . . . 69 VAL CB . 16570 1 851 . 1 1 69 69 VAL CG1 C 13 20.9 0.2 . 1 . . . . 69 VAL CG1 . 16570 1 852 . 1 1 69 69 VAL CG2 C 13 21.9 0.2 . 1 . . . . 69 VAL CG2 . 16570 1 853 . 1 1 69 69 VAL N N 15 118.4 0.2 . 1 . . . . 69 VAL N . 16570 1 854 . 1 1 70 70 GLU H H 1 8.59 0.02 . 1 . . . . 70 GLU H . 16570 1 855 . 1 1 70 70 GLU HA H 1 4.52 0.02 . 1 . . . . 70 GLU HA . 16570 1 856 . 1 1 70 70 GLU HB2 H 1 1.86 0.02 . 2 . . . . 70 GLU HB2 . 16570 1 857 . 1 1 70 70 GLU HB3 H 1 1.99 0.02 . 2 . . . . 70 GLU HB3 . 16570 1 858 . 1 1 70 70 GLU HG2 H 1 2.37 0.02 . 2 . . . . 70 GLU HG2 . 16570 1 859 . 1 1 70 70 GLU HG3 H 1 2.40 0.02 . 2 . . . . 70 GLU HG3 . 16570 1 860 . 1 1 70 70 GLU CA C 13 55.1 0.2 . 1 . . . . 70 GLU CA . 16570 1 861 . 1 1 70 70 GLU CB C 13 28.1 0.2 . 1 . . . . 70 GLU CB . 16570 1 862 . 1 1 70 70 GLU CG C 13 35.0 0.2 . 1 . . . . 70 GLU CG . 16570 1 863 . 1 1 70 70 GLU N N 15 128.4 0.2 . 1 . . . . 70 GLU N . 16570 1 864 . 1 1 71 71 PRO HA H 1 4.20 0.02 . 1 . . . . 71 PRO HA . 16570 1 865 . 1 1 71 71 PRO HB2 H 1 1.77 0.02 . 2 . . . . 71 PRO HB2 . 16570 1 866 . 1 1 71 71 PRO HB3 H 1 2.27 0.02 . 2 . . . . 71 PRO HB3 . 16570 1 867 . 1 1 71 71 PRO HD2 H 1 3.59 0.02 . 2 . . . . 71 PRO HD2 . 16570 1 868 . 1 1 71 71 PRO HD3 H 1 3.85 0.02 . 2 . . . . 71 PRO HD3 . 16570 1 869 . 1 1 71 71 PRO HG2 H 1 1.88 0.02 . 2 . . . . 71 PRO HG2 . 16570 1 870 . 1 1 71 71 PRO HG3 H 1 1.98 0.02 . 2 . . . . 71 PRO HG3 . 16570 1 871 . 1 1 71 71 PRO C C 13 176.3 0.2 . 1 . . . . 71 PRO C . 16570 1 872 . 1 1 71 71 PRO CA C 13 63.5 0.2 . 1 . . . . 71 PRO CA . 16570 1 873 . 1 1 71 71 PRO CB C 13 32.1 0.2 . 1 . . . . 71 PRO CB . 16570 1 874 . 1 1 71 71 PRO CD C 13 50.4 0.2 . 1 . . . . 71 PRO CD . 16570 1 875 . 1 1 71 71 PRO CG C 13 27.8 0.2 . 1 . . . . 71 PRO CG . 16570 1 876 . 1 1 72 72 ILE H H 1 8.96 0.02 . 1 . . . . 72 ILE H . 16570 1 877 . 1 1 72 72 ILE HA H 1 4.40 0.02 . 1 . . . . 72 ILE HA . 16570 1 878 . 1 1 72 72 ILE HB H 1 1.52 0.02 . 1 . . . . 72 ILE HB . 16570 1 879 . 1 1 72 72 ILE HD11 H 1 0.62 0.02 . 1 . . . . 72 ILE HD1 . 16570 1 880 . 1 1 72 72 ILE HD12 H 1 0.62 0.02 . 1 . . . . 72 ILE HD1 . 16570 1 881 . 1 1 72 72 ILE HD13 H 1 0.62 0.02 . 1 . . . . 72 ILE HD1 . 16570 1 882 . 1 1 72 72 ILE HG12 H 1 0.85 0.02 . 2 . . . . 72 ILE HG12 . 16570 1 883 . 1 1 72 72 ILE HG13 H 1 1.82 0.02 . 2 . . . . 72 ILE HG13 . 16570 1 884 . 1 1 72 72 ILE HG21 H 1 0.79 0.02 . 1 . . . . 72 ILE HG2 . 16570 1 885 . 1 1 72 72 ILE HG22 H 1 0.79 0.02 . 1 . . . . 72 ILE HG2 . 16570 1 886 . 1 1 72 72 ILE HG23 H 1 0.79 0.02 . 1 . . . . 72 ILE HG2 . 16570 1 887 . 1 1 72 72 ILE CA C 13 58.1 0.2 . 1 . . . . 72 ILE CA . 16570 1 888 . 1 1 72 72 ILE CB C 13 41.5 0.2 . 1 . . . . 72 ILE CB . 16570 1 889 . 1 1 72 72 ILE CD1 C 13 14.0 0.2 . 1 . . . . 72 ILE CD1 . 16570 1 890 . 1 1 72 72 ILE CG1 C 13 26.7 0.2 . 1 . . . . 72 ILE CG1 . 16570 1 891 . 1 1 72 72 ILE CG2 C 13 17.7 0.2 . 1 . . . . 72 ILE CG2 . 16570 1 892 . 1 1 72 72 ILE N N 15 126.0 0.2 . 1 . . . . 72 ILE N . 16570 1 893 . 1 1 73 73 PRO HA H 1 4.15 0.02 . 1 . . . . 73 PRO HA . 16570 1 894 . 1 1 73 73 PRO HB2 H 1 1.65 0.02 . 2 . . . . 73 PRO HB2 . 16570 1 895 . 1 1 73 73 PRO HB3 H 1 2.22 0.02 . 2 . . . . 73 PRO HB3 . 16570 1 896 . 1 1 73 73 PRO HD2 H 1 3.43 0.02 . 2 . . . . 73 PRO HD2 . 16570 1 897 . 1 1 73 73 PRO HD3 H 1 3.80 0.02 . 2 . . . . 73 PRO HD3 . 16570 1 898 . 1 1 73 73 PRO HG2 H 1 1.91 0.02 . 2 . . . . 73 PRO HG2 . 16570 1 899 . 1 1 73 73 PRO HG3 H 1 1.99 0.02 . 2 . . . . 73 PRO HG3 . 16570 1 900 . 1 1 73 73 PRO C C 13 176.8 0.2 . 1 . . . . 73 PRO C . 16570 1 901 . 1 1 73 73 PRO CA C 13 64.3 0.2 . 1 . . . . 73 PRO CA . 16570 1 902 . 1 1 73 73 PRO CB C 13 31.8 0.2 . 1 . . . . 73 PRO CB . 16570 1 903 . 1 1 73 73 PRO CD C 13 51.1 0.2 . 1 . . . . 73 PRO CD . 16570 1 904 . 1 1 73 73 PRO CG C 13 27.7 0.2 . 1 . . . . 73 PRO CG . 16570 1 905 . 1 1 74 74 ASN H H 1 8.80 0.02 . 1 . . . . 74 ASN H . 16570 1 906 . 1 1 74 74 ASN HA H 1 4.25 0.02 . 1 . . . . 74 ASN HA . 16570 1 907 . 1 1 74 74 ASN HB2 H 1 2.97 0.02 . 2 . . . . 74 ASN HB2 . 16570 1 908 . 1 1 74 74 ASN HB3 H 1 3.18 0.02 . 2 . . . . 74 ASN HB3 . 16570 1 909 . 1 1 74 74 ASN HD21 H 1 6.98 0.02 . 2 . . . . 74 ASN HD21 . 16570 1 910 . 1 1 74 74 ASN HD22 H 1 7.47 0.02 . 2 . . . . 74 ASN HD22 . 16570 1 911 . 1 1 74 74 ASN C C 13 173.1 0.2 . 1 . . . . 74 ASN C . 16570 1 912 . 1 1 74 74 ASN CA C 13 55.2 0.2 . 1 . . . . 74 ASN CA . 16570 1 913 . 1 1 74 74 ASN CB C 13 38.3 0.2 . 1 . . . . 74 ASN CB . 16570 1 914 . 1 1 74 74 ASN CG C 13 178.7 0.2 . 1 . . . . 74 ASN CG . 16570 1 915 . 1 1 74 74 ASN N N 15 115.7 0.2 . 1 . . . . 74 ASN N . 16570 1 916 . 1 1 74 74 ASN ND2 N 15 113.0 0.2 . 1 . . . . 74 ASN ND2 . 16570 1 917 . 1 1 75 75 ILE H H 1 7.74 0.02 . 1 . . . . 75 ILE H . 16570 1 918 . 1 1 75 75 ILE HA H 1 4.59 0.02 . 1 . . . . 75 ILE HA . 16570 1 919 . 1 1 75 75 ILE HB H 1 1.73 0.02 . 1 . . . . 75 ILE HB . 16570 1 920 . 1 1 75 75 ILE HD11 H 1 0.59 0.02 . 1 . . . . 75 ILE HD1 . 16570 1 921 . 1 1 75 75 ILE HD12 H 1 0.59 0.02 . 1 . . . . 75 ILE HD1 . 16570 1 922 . 1 1 75 75 ILE HD13 H 1 0.59 0.02 . 1 . . . . 75 ILE HD1 . 16570 1 923 . 1 1 75 75 ILE HG12 H 1 1.14 0.02 . 2 . . . . 75 ILE HG12 . 16570 1 924 . 1 1 75 75 ILE HG13 H 1 1.17 0.02 . 2 . . . . 75 ILE HG13 . 16570 1 925 . 1 1 75 75 ILE HG21 H 1 0.66 0.02 . 1 . . . . 75 ILE HG2 . 16570 1 926 . 1 1 75 75 ILE HG22 H 1 0.66 0.02 . 1 . . . . 75 ILE HG2 . 16570 1 927 . 1 1 75 75 ILE HG23 H 1 0.66 0.02 . 1 . . . . 75 ILE HG2 . 16570 1 928 . 1 1 75 75 ILE C C 13 174.4 0.2 . 1 . . . . 75 ILE C . 16570 1 929 . 1 1 75 75 ILE CA C 13 58.6 0.2 . 1 . . . . 75 ILE CA . 16570 1 930 . 1 1 75 75 ILE CB C 13 39.7 0.2 . 1 . . . . 75 ILE CB . 16570 1 931 . 1 1 75 75 ILE CD1 C 13 10.8 0.2 . 1 . . . . 75 ILE CD1 . 16570 1 932 . 1 1 75 75 ILE CG1 C 13 27.1 0.2 . 1 . . . . 75 ILE CG1 . 16570 1 933 . 1 1 75 75 ILE CG2 C 13 17.6 0.2 . 1 . . . . 75 ILE CG2 . 16570 1 934 . 1 1 75 75 ILE N N 15 119.3 0.2 . 1 . . . . 75 ILE N . 16570 1 935 . 1 1 76 76 LYS H H 1 8.84 0.02 . 1 . . . . 76 LYS H . 16570 1 936 . 1 1 76 76 LYS HA H 1 4.58 0.02 . 1 . . . . 76 LYS HA . 16570 1 937 . 1 1 76 76 LYS HB2 H 1 1.72 0.02 . 2 . . . . 76 LYS HB2 . 16570 1 938 . 1 1 76 76 LYS HB3 H 1 1.78 0.02 . 2 . . . . 76 LYS HB3 . 16570 1 939 . 1 1 76 76 LYS HD2 H 1 1.58 0.02 . 2 . . . . 76 LYS HD2 . 16570 1 940 . 1 1 76 76 LYS HD3 H 1 1.63 0.02 . 2 . . . . 76 LYS HD3 . 16570 1 941 . 1 1 76 76 LYS HE2 H 1 2.97 0.02 . 2 . . . . 76 LYS HE2 . 16570 1 942 . 1 1 76 76 LYS HE3 H 1 3.00 0.02 . 2 . . . . 76 LYS HE3 . 16570 1 943 . 1 1 76 76 LYS HG2 H 1 1.18 0.02 . 2 . . . . 76 LYS HG2 . 16570 1 944 . 1 1 76 76 LYS HG3 H 1 1.40 0.02 . 2 . . . . 76 LYS HG3 . 16570 1 945 . 1 1 76 76 LYS C C 13 175.6 0.2 . 1 . . . . 76 LYS C . 16570 1 946 . 1 1 76 76 LYS CA C 13 54.4 0.2 . 1 . . . . 76 LYS CA . 16570 1 947 . 1 1 76 76 LYS CB C 13 34.9 0.2 . 1 . . . . 76 LYS CB . 16570 1 948 . 1 1 76 76 LYS CD C 13 29.2 0.2 . 1 . . . . 76 LYS CD . 16570 1 949 . 1 1 76 76 LYS CE C 13 42.1 0.2 . 1 . . . . 76 LYS CE . 16570 1 950 . 1 1 76 76 LYS CG C 13 24.6 0.2 . 1 . . . . 76 LYS CG . 16570 1 951 . 1 1 76 76 LYS N N 15 127.3 0.2 . 1 . . . . 76 LYS N . 16570 1 952 . 1 1 77 77 ILE H H 1 8.79 0.02 . 1 . . . . 77 ILE H . 16570 1 953 . 1 1 77 77 ILE HA H 1 3.88 0.02 . 1 . . . . 77 ILE HA . 16570 1 954 . 1 1 77 77 ILE HB H 1 1.86 0.02 . 1 . . . . 77 ILE HB . 16570 1 955 . 1 1 77 77 ILE HD11 H 1 0.64 0.02 . 1 . . . . 77 ILE HD1 . 16570 1 956 . 1 1 77 77 ILE HD12 H 1 0.64 0.02 . 1 . . . . 77 ILE HD1 . 16570 1 957 . 1 1 77 77 ILE HD13 H 1 0.64 0.02 . 1 . . . . 77 ILE HD1 . 16570 1 958 . 1 1 77 77 ILE HG12 H 1 1.02 0.02 . 2 . . . . 77 ILE HG12 . 16570 1 959 . 1 1 77 77 ILE HG13 H 1 1.50 0.02 . 2 . . . . 77 ILE HG13 . 16570 1 960 . 1 1 77 77 ILE HG21 H 1 0.70 0.02 . 1 . . . . 77 ILE HG2 . 16570 1 961 . 1 1 77 77 ILE HG22 H 1 0.70 0.02 . 1 . . . . 77 ILE HG2 . 16570 1 962 . 1 1 77 77 ILE HG23 H 1 0.70 0.02 . 1 . . . . 77 ILE HG2 . 16570 1 963 . 1 1 77 77 ILE C C 13 176.2 0.2 . 1 . . . . 77 ILE C . 16570 1 964 . 1 1 77 77 ILE CA C 13 61.5 0.2 . 1 . . . . 77 ILE CA . 16570 1 965 . 1 1 77 77 ILE CB C 13 37.0 0.2 . 1 . . . . 77 ILE CB . 16570 1 966 . 1 1 77 77 ILE CD1 C 13 12.1 0.2 . 1 . . . . 77 ILE CD1 . 16570 1 967 . 1 1 77 77 ILE CG1 C 13 27.8 0.2 . 1 . . . . 77 ILE CG1 . 16570 1 968 . 1 1 77 77 ILE CG2 C 13 17.8 0.2 . 1 . . . . 77 ILE CG2 . 16570 1 969 . 1 1 77 77 ILE N N 15 126.2 0.2 . 1 . . . . 77 ILE N . 16570 1 970 . 1 1 78 78 VAL H H 1 8.81 0.02 . 1 . . . . 78 VAL H . 16570 1 971 . 1 1 78 78 VAL HA H 1 4.14 0.02 . 1 . . . . 78 VAL HA . 16570 1 972 . 1 1 78 78 VAL HB H 1 1.80 0.02 . 1 . . . . 78 VAL HB . 16570 1 973 . 1 1 78 78 VAL HG11 H 1 0.82 0.02 . 1 . . . . 78 VAL HG1 . 16570 1 974 . 1 1 78 78 VAL HG12 H 1 0.82 0.02 . 1 . . . . 78 VAL HG1 . 16570 1 975 . 1 1 78 78 VAL HG13 H 1 0.82 0.02 . 1 . . . . 78 VAL HG1 . 16570 1 976 . 1 1 78 78 VAL HG21 H 1 0.70 0.02 . 1 . . . . 78 VAL HG2 . 16570 1 977 . 1 1 78 78 VAL HG22 H 1 0.70 0.02 . 1 . . . . 78 VAL HG2 . 16570 1 978 . 1 1 78 78 VAL HG23 H 1 0.70 0.02 . 1 . . . . 78 VAL HG2 . 16570 1 979 . 1 1 78 78 VAL C C 13 175.9 0.2 . 1 . . . . 78 VAL C . 16570 1 980 . 1 1 78 78 VAL CA C 13 63.0 0.2 . 1 . . . . 78 VAL CA . 16570 1 981 . 1 1 78 78 VAL CB C 13 33.1 0.2 . 1 . . . . 78 VAL CB . 16570 1 982 . 1 1 78 78 VAL CG1 C 13 21.1 0.2 . 1 . . . . 78 VAL CG1 . 16570 1 983 . 1 1 78 78 VAL CG2 C 13 20.5 0.2 . 1 . . . . 78 VAL CG2 . 16570 1 984 . 1 1 78 78 VAL N N 15 126.0 0.2 . 1 . . . . 78 VAL N . 16570 1 985 . 1 1 79 79 GLU H H 1 7.46 0.02 . 1 . . . . 79 GLU H . 16570 1 986 . 1 1 79 79 GLU HA H 1 4.43 0.02 . 1 . . . . 79 GLU HA . 16570 1 987 . 1 1 79 79 GLU HB2 H 1 1.85 0.02 . 2 . . . . 79 GLU HB2 . 16570 1 988 . 1 1 79 79 GLU HB3 H 1 2.03 0.02 . 2 . . . . 79 GLU HB3 . 16570 1 989 . 1 1 79 79 GLU HG2 H 1 2.03 0.02 . 2 . . . . 79 GLU HG2 . 16570 1 990 . 1 1 79 79 GLU HG3 H 1 2.26 0.02 . 2 . . . . 79 GLU HG3 . 16570 1 991 . 1 1 79 79 GLU C C 13 173.1 0.2 . 1 . . . . 79 GLU C . 16570 1 992 . 1 1 79 79 GLU CA C 13 56.6 0.2 . 1 . . . . 79 GLU CA . 16570 1 993 . 1 1 79 79 GLU CB C 13 33.7 0.2 . 1 . . . . 79 GLU CB . 16570 1 994 . 1 1 79 79 GLU CG C 13 36.2 0.2 . 1 . . . . 79 GLU CG . 16570 1 995 . 1 1 79 79 GLU N N 15 118.9 0.2 . 1 . . . . 79 GLU N . 16570 1 996 . 1 1 80 80 ILE H H 1 8.33 0.02 . 1 . . . . 80 ILE H . 16570 1 997 . 1 1 80 80 ILE HA H 1 4.45 0.02 . 1 . . . . 80 ILE HA . 16570 1 998 . 1 1 80 80 ILE HB H 1 1.48 0.02 . 1 . . . . 80 ILE HB . 16570 1 999 . 1 1 80 80 ILE HD11 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16570 1 1000 . 1 1 80 80 ILE HD12 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16570 1 1001 . 1 1 80 80 ILE HD13 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16570 1 1002 . 1 1 80 80 ILE HG12 H 1 0.62 0.02 . 2 . . . . 80 ILE HG12 . 16570 1 1003 . 1 1 80 80 ILE HG13 H 1 1.42 0.02 . 2 . . . . 80 ILE HG13 . 16570 1 1004 . 1 1 80 80 ILE HG21 H 1 0.62 0.02 . 1 . . . . 80 ILE HG2 . 16570 1 1005 . 1 1 80 80 ILE HG22 H 1 0.62 0.02 . 1 . . . . 80 ILE HG2 . 16570 1 1006 . 1 1 80 80 ILE HG23 H 1 0.62 0.02 . 1 . . . . 80 ILE HG2 . 16570 1 1007 . 1 1 80 80 ILE C C 13 174.9 0.2 . 1 . . . . 80 ILE C . 16570 1 1008 . 1 1 80 80 ILE CA C 13 61.2 0.2 . 1 . . . . 80 ILE CA . 16570 1 1009 . 1 1 80 80 ILE CB C 13 41.2 0.2 . 1 . . . . 80 ILE CB . 16570 1 1010 . 1 1 80 80 ILE CD1 C 13 14.2 0.2 . 1 . . . . 80 ILE CD1 . 16570 1 1011 . 1 1 80 80 ILE CG1 C 13 28.1 0.2 . 1 . . . . 80 ILE CG1 . 16570 1 1012 . 1 1 80 80 ILE CG2 C 13 17.5 0.2 . 1 . . . . 80 ILE CG2 . 16570 1 1013 . 1 1 80 80 ILE N N 15 126.3 0.2 . 1 . . . . 80 ILE N . 16570 1 1014 . 1 1 81 81 SER H H 1 8.73 0.02 . 1 . . . . 81 SER H . 16570 1 1015 . 1 1 81 81 SER HA H 1 4.91 0.02 . 1 . . . . 81 SER HA . 16570 1 1016 . 1 1 81 81 SER HB2 H 1 3.62 0.02 . 2 . . . . 81 SER HB2 . 16570 1 1017 . 1 1 81 81 SER HB3 H 1 3.75 0.02 . 2 . . . . 81 SER HB3 . 16570 1 1018 . 1 1 81 81 SER CA C 13 54.4 0.2 . 1 . . . . 81 SER CA . 16570 1 1019 . 1 1 81 81 SER CB C 13 65.2 0.2 . 1 . . . . 81 SER CB . 16570 1 1020 . 1 1 81 81 SER N N 15 119.6 0.2 . 1 . . . . 81 SER N . 16570 1 1021 . 1 1 82 82 PRO HA H 1 4.81 0.02 . 1 . . . . 82 PRO HA . 16570 1 1022 . 1 1 82 82 PRO HB2 H 1 2.24 0.02 . 2 . . . . 82 PRO HB2 . 16570 1 1023 . 1 1 82 82 PRO HB3 H 1 2.38 0.02 . 2 . . . . 82 PRO HB3 . 16570 1 1024 . 1 1 82 82 PRO HD2 H 1 3.54 0.02 . 2 . . . . 82 PRO HD2 . 16570 1 1025 . 1 1 82 82 PRO HD3 H 1 3.86 0.02 . 2 . . . . 82 PRO HD3 . 16570 1 1026 . 1 1 82 82 PRO HG2 H 1 1.67 0.02 . 2 . . . . 82 PRO HG2 . 16570 1 1027 . 1 1 82 82 PRO HG3 H 1 1.88 0.02 . 2 . . . . 82 PRO HG3 . 16570 1 1028 . 1 1 82 82 PRO C C 13 173.7 0.2 . 1 . . . . 82 PRO C . 16570 1 1029 . 1 1 82 82 PRO CA C 13 62.8 0.2 . 1 . . . . 82 PRO CA . 16570 1 1030 . 1 1 82 82 PRO CB C 13 34.2 0.2 . 1 . . . . 82 PRO CB . 16570 1 1031 . 1 1 82 82 PRO CD C 13 50.3 0.2 . 1 . . . . 82 PRO CD . 16570 1 1032 . 1 1 82 82 PRO CG C 13 24.6 0.2 . 1 . . . . 82 PRO CG . 16570 1 1033 . 1 1 83 83 ARG H H 1 8.29 0.02 . 1 . . . . 83 ARG H . 16570 1 1034 . 1 1 83 83 ARG HA H 1 4.13 0.02 . 1 . . . . 83 ARG HA . 16570 1 1035 . 1 1 83 83 ARG HB2 H 1 1.91 0.02 . 2 . . . . 83 ARG HB2 . 16570 1 1036 . 1 1 83 83 ARG HB3 H 1 1.95 0.02 . 2 . . . . 83 ARG HB3 . 16570 1 1037 . 1 1 83 83 ARG HD2 H 1 3.27 0.02 . 2 . . . . 83 ARG HD2 . 16570 1 1038 . 1 1 83 83 ARG HD3 H 1 3.30 0.02 . 2 . . . . 83 ARG HD3 . 16570 1 1039 . 1 1 83 83 ARG HE H 1 7.37 0.02 . 1 . . . . 83 ARG HE . 16570 1 1040 . 1 1 83 83 ARG HG2 H 1 1.77 0.02 . 2 . . . . 83 ARG HG2 . 16570 1 1041 . 1 1 83 83 ARG HG3 H 1 1.80 0.02 . 2 . . . . 83 ARG HG3 . 16570 1 1042 . 1 1 83 83 ARG C C 13 177.0 0.2 . 1 . . . . 83 ARG C . 16570 1 1043 . 1 1 83 83 ARG CA C 13 57.2 0.2 . 1 . . . . 83 ARG CA . 16570 1 1044 . 1 1 83 83 ARG CB C 13 31.4 0.2 . 1 . . . . 83 ARG CB . 16570 1 1045 . 1 1 83 83 ARG CD C 13 43.4 0.2 . 1 . . . . 83 ARG CD . 16570 1 1046 . 1 1 83 83 ARG CG C 13 27.6 0.2 . 1 . . . . 83 ARG CG . 16570 1 1047 . 1 1 83 83 ARG CZ C 13 159.5 0.2 . 1 . . . . 83 ARG CZ . 16570 1 1048 . 1 1 83 83 ARG N N 15 116.3 0.2 . 1 . . . . 83 ARG N . 16570 1 1049 . 1 1 83 83 ARG NE N 15 84.4 0.2 . 1 . . . . 83 ARG NE . 16570 1 1050 . 1 1 84 84 VAL H H 1 7.53 0.02 . 1 . . . . 84 VAL H . 16570 1 1051 . 1 1 84 84 VAL HA H 1 4.94 0.02 . 1 . . . . 84 VAL HA . 16570 1 1052 . 1 1 84 84 VAL HB H 1 1.76 0.02 . 1 . . . . 84 VAL HB . 16570 1 1053 . 1 1 84 84 VAL HG11 H 1 0.74 0.02 . 1 . . . . 84 VAL HG1 . 16570 1 1054 . 1 1 84 84 VAL HG12 H 1 0.74 0.02 . 1 . . . . 84 VAL HG1 . 16570 1 1055 . 1 1 84 84 VAL HG13 H 1 0.74 0.02 . 1 . . . . 84 VAL HG1 . 16570 1 1056 . 1 1 84 84 VAL HG21 H 1 0.78 0.02 . 1 . . . . 84 VAL HG2 . 16570 1 1057 . 1 1 84 84 VAL HG22 H 1 0.78 0.02 . 1 . . . . 84 VAL HG2 . 16570 1 1058 . 1 1 84 84 VAL HG23 H 1 0.78 0.02 . 1 . . . . 84 VAL HG2 . 16570 1 1059 . 1 1 84 84 VAL C C 13 174.7 0.2 . 1 . . . . 84 VAL C . 16570 1 1060 . 1 1 84 84 VAL CA C 13 59.4 0.2 . 1 . . . . 84 VAL CA . 16570 1 1061 . 1 1 84 84 VAL CB C 13 36.0 0.2 . 1 . . . . 84 VAL CB . 16570 1 1062 . 1 1 84 84 VAL CG1 C 13 21.3 0.2 . 1 . . . . 84 VAL CG1 . 16570 1 1063 . 1 1 84 84 VAL CG2 C 13 20.8 0.2 . 1 . . . . 84 VAL CG2 . 16570 1 1064 . 1 1 84 84 VAL N N 15 116.5 0.2 . 1 . . . . 84 VAL N . 16570 1 1065 . 1 1 85 85 VAL H H 1 8.79 0.02 . 1 . . . . 85 VAL H . 16570 1 1066 . 1 1 85 85 VAL HA H 1 4.60 0.02 . 1 . . . . 85 VAL HA . 16570 1 1067 . 1 1 85 85 VAL HB H 1 1.87 0.02 . 1 . . . . 85 VAL HB . 16570 1 1068 . 1 1 85 85 VAL HG11 H 1 0.70 0.02 . 1 . . . . 85 VAL HG1 . 16570 1 1069 . 1 1 85 85 VAL HG12 H 1 0.70 0.02 . 1 . . . . 85 VAL HG1 . 16570 1 1070 . 1 1 85 85 VAL HG13 H 1 0.70 0.02 . 1 . . . . 85 VAL HG1 . 16570 1 1071 . 1 1 85 85 VAL HG21 H 1 0.75 0.02 . 1 . . . . 85 VAL HG2 . 16570 1 1072 . 1 1 85 85 VAL HG22 H 1 0.75 0.02 . 1 . . . . 85 VAL HG2 . 16570 1 1073 . 1 1 85 85 VAL HG23 H 1 0.75 0.02 . 1 . . . . 85 VAL HG2 . 16570 1 1074 . 1 1 85 85 VAL C C 13 174.1 0.2 . 1 . . . . 85 VAL C . 16570 1 1075 . 1 1 85 85 VAL CA C 13 59.2 0.2 . 1 . . . . 85 VAL CA . 16570 1 1076 . 1 1 85 85 VAL CB C 13 35.3 0.2 . 1 . . . . 85 VAL CB . 16570 1 1077 . 1 1 85 85 VAL CG1 C 13 21.9 0.2 . 1 . . . . 85 VAL CG1 . 16570 1 1078 . 1 1 85 85 VAL CG2 C 13 20.1 0.2 . 1 . . . . 85 VAL CG2 . 16570 1 1079 . 1 1 85 85 VAL N N 15 118.5 0.2 . 1 . . . . 85 VAL N . 16570 1 1080 . 1 1 86 86 THR H H 1 8.62 0.02 . 1 . . . . 86 THR H . 16570 1 1081 . 1 1 86 86 THR HA H 1 5.18 0.02 . 1 . . . . 86 THR HA . 16570 1 1082 . 1 1 86 86 THR HB H 1 3.74 0.02 . 1 . . . . 86 THR HB . 16570 1 1083 . 1 1 86 86 THR HG21 H 1 1.06 0.02 . 1 . . . . 86 THR HG2 . 16570 1 1084 . 1 1 86 86 THR HG22 H 1 1.06 0.02 . 1 . . . . 86 THR HG2 . 16570 1 1085 . 1 1 86 86 THR HG23 H 1 1.06 0.02 . 1 . . . . 86 THR HG2 . 16570 1 1086 . 1 1 86 86 THR C C 13 174.4 0.2 . 1 . . . . 86 THR C . 16570 1 1087 . 1 1 86 86 THR CA C 13 62.0 0.2 . 1 . . . . 86 THR CA . 16570 1 1088 . 1 1 86 86 THR CB C 13 69.6 0.2 . 1 . . . . 86 THR CB . 16570 1 1089 . 1 1 86 86 THR CG2 C 13 21.8 0.2 . 1 . . . . 86 THR CG2 . 16570 1 1090 . 1 1 86 86 THR N N 15 123.2 0.2 . 1 . . . . 86 THR N . 16570 1 1091 . 1 1 87 87 LEU H H 1 9.13 0.02 . 1 . . . . 87 LEU H . 16570 1 1092 . 1 1 87 87 LEU HA H 1 4.91 0.02 . 1 . . . . 87 LEU HA . 16570 1 1093 . 1 1 87 87 LEU HB2 H 1 1.31 0.02 . 2 . . . . 87 LEU HB2 . 16570 1 1094 . 1 1 87 87 LEU HB3 H 1 1.82 0.02 . 2 . . . . 87 LEU HB3 . 16570 1 1095 . 1 1 87 87 LEU HD11 H 1 0.61 0.02 . 1 . . . . 87 LEU HD1 . 16570 1 1096 . 1 1 87 87 LEU HD12 H 1 0.61 0.02 . 1 . . . . 87 LEU HD1 . 16570 1 1097 . 1 1 87 87 LEU HD13 H 1 0.61 0.02 . 1 . . . . 87 LEU HD1 . 16570 1 1098 . 1 1 87 87 LEU HD21 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 16570 1 1099 . 1 1 87 87 LEU HD22 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 16570 1 1100 . 1 1 87 87 LEU HD23 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 16570 1 1101 . 1 1 87 87 LEU HG H 1 1.71 0.02 . 1 . . . . 87 LEU HG . 16570 1 1102 . 1 1 87 87 LEU C C 13 174.7 0.2 . 1 . . . . 87 LEU C . 16570 1 1103 . 1 1 87 87 LEU CA C 13 53.2 0.2 . 1 . . . . 87 LEU CA . 16570 1 1104 . 1 1 87 87 LEU CB C 13 45.9 0.2 . 1 . . . . 87 LEU CB . 16570 1 1105 . 1 1 87 87 LEU CD1 C 13 25.7 0.2 . 1 . . . . 87 LEU CD1 . 16570 1 1106 . 1 1 87 87 LEU CD2 C 13 24.4 0.2 . 1 . . . . 87 LEU CD2 . 16570 1 1107 . 1 1 87 87 LEU CG C 13 26.9 0.2 . 1 . . . . 87 LEU CG . 16570 1 1108 . 1 1 87 87 LEU N N 15 124.8 0.2 . 1 . . . . 87 LEU N . 16570 1 1109 . 1 1 88 88 GLN H H 1 8.36 0.02 . 1 . . . . 88 GLN H . 16570 1 1110 . 1 1 88 88 GLN HA H 1 4.86 0.02 . 1 . . . . 88 GLN HA . 16570 1 1111 . 1 1 88 88 GLN HB2 H 1 1.85 0.02 . 2 . . . . 88 GLN HB2 . 16570 1 1112 . 1 1 88 88 GLN HB3 H 1 1.94 0.02 . 2 . . . . 88 GLN HB3 . 16570 1 1113 . 1 1 88 88 GLN HE21 H 1 6.73 0.02 . 2 . . . . 88 GLN HE21 . 16570 1 1114 . 1 1 88 88 GLN HE22 H 1 7.56 0.02 . 2 . . . . 88 GLN HE22 . 16570 1 1115 . 1 1 88 88 GLN HG2 H 1 2.08 0.02 . 2 . . . . 88 GLN HG2 . 16570 1 1116 . 1 1 88 88 GLN HG3 H 1 2.10 0.02 . 2 . . . . 88 GLN HG3 . 16570 1 1117 . 1 1 88 88 GLN C C 13 174.0 0.2 . 1 . . . . 88 GLN C . 16570 1 1118 . 1 1 88 88 GLN CA C 13 54.4 0.2 . 1 . . . . 88 GLN CA . 16570 1 1119 . 1 1 88 88 GLN CB C 13 30.1 0.2 . 1 . . . . 88 GLN CB . 16570 1 1120 . 1 1 88 88 GLN CD C 13 179.0 0.2 . 1 . . . . 88 GLN CD . 16570 1 1121 . 1 1 88 88 GLN CG C 13 33.5 0.2 . 1 . . . . 88 GLN CG . 16570 1 1122 . 1 1 88 88 GLN N N 15 120.9 0.2 . 1 . . . . 88 GLN N . 16570 1 1123 . 1 1 88 88 GLN NE2 N 15 111.0 0.2 . 1 . . . . 88 GLN NE2 . 16570 1 1124 . 1 1 89 89 LEU H H 1 8.81 0.02 . 1 . . . . 89 LEU H . 16570 1 1125 . 1 1 89 89 LEU HA H 1 5.15 0.02 . 1 . . . . 89 LEU HA . 16570 1 1126 . 1 1 89 89 LEU HB2 H 1 1.64 0.02 . 2 . . . . 89 LEU HB2 . 16570 1 1127 . 1 1 89 89 LEU HB3 H 1 1.67 0.02 . 2 . . . . 89 LEU HB3 . 16570 1 1128 . 1 1 89 89 LEU HD11 H 1 0.79 0.02 . 1 . . . . 89 LEU HD1 . 16570 1 1129 . 1 1 89 89 LEU HD12 H 1 0.79 0.02 . 1 . . . . 89 LEU HD1 . 16570 1 1130 . 1 1 89 89 LEU HD13 H 1 0.79 0.02 . 1 . . . . 89 LEU HD1 . 16570 1 1131 . 1 1 89 89 LEU HD21 H 1 0.69 0.02 . 1 . . . . 89 LEU HD2 . 16570 1 1132 . 1 1 89 89 LEU HD22 H 1 0.69 0.02 . 1 . . . . 89 LEU HD2 . 16570 1 1133 . 1 1 89 89 LEU HD23 H 1 0.69 0.02 . 1 . . . . 89 LEU HD2 . 16570 1 1134 . 1 1 89 89 LEU HG H 1 1.51 0.02 . 1 . . . . 89 LEU HG . 16570 1 1135 . 1 1 89 89 LEU C C 13 176.5 0.2 . 1 . . . . 89 LEU C . 16570 1 1136 . 1 1 89 89 LEU CA C 13 53.6 0.2 . 1 . . . . 89 LEU CA . 16570 1 1137 . 1 1 89 89 LEU CB C 13 45.3 0.2 . 1 . . . . 89 LEU CB . 16570 1 1138 . 1 1 89 89 LEU CD1 C 13 25.0 0.2 . 1 . . . . 89 LEU CD1 . 16570 1 1139 . 1 1 89 89 LEU CD2 C 13 25.8 0.2 . 1 . . . . 89 LEU CD2 . 16570 1 1140 . 1 1 89 89 LEU CG C 13 28.5 0.2 . 1 . . . . 89 LEU CG . 16570 1 1141 . 1 1 89 89 LEU N N 15 128.9 0.2 . 1 . . . . 89 LEU N . 16570 1 1142 . 1 1 90 90 GLU H H 1 8.85 0.02 . 1 . . . . 90 GLU H . 16570 1 1143 . 1 1 90 90 GLU HA H 1 4.78 0.02 . 1 . . . . 90 GLU HA . 16570 1 1144 . 1 1 90 90 GLU HB2 H 1 1.87 0.02 . 2 . . . . 90 GLU HB2 . 16570 1 1145 . 1 1 90 90 GLU HB3 H 1 2.15 0.02 . 2 . . . . 90 GLU HB3 . 16570 1 1146 . 1 1 90 90 GLU C C 13 175.5 0.2 . 1 . . . . 90 GLU C . 16570 1 1147 . 1 1 90 90 GLU CA C 13 54.1 0.2 . 1 . . . . 90 GLU CA . 16570 1 1148 . 1 1 90 90 GLU CB C 13 33.7 0.2 . 1 . . . . 90 GLU CB . 16570 1 1149 . 1 1 90 90 GLU CG C 13 35.1 0.2 . 1 . . . . 90 GLU CG . 16570 1 1150 . 1 1 90 90 GLU N N 15 122.4 0.2 . 1 . . . . 90 GLU N . 16570 1 1151 . 1 1 91 91 HIS H H 1 9.23 0.02 . 1 . . . . 91 HIS H . 16570 1 1152 . 1 1 91 91 HIS HA H 1 5.02 0.02 . 1 . . . . 91 HIS HA . 16570 1 1153 . 1 1 91 91 HIS HB2 H 1 3.09 0.02 . 2 . . . . 91 HIS HB2 . 16570 1 1154 . 1 1 91 91 HIS HB3 H 1 3.21 0.02 . 2 . . . . 91 HIS HB3 . 16570 1 1155 . 1 1 91 91 HIS C C 13 174.5 0.2 . 1 . . . . 91 HIS C . 16570 1 1156 . 1 1 91 91 HIS CA C 13 55.2 0.2 . 1 . . . . 91 HIS CA . 16570 1 1157 . 1 1 91 91 HIS CB C 13 29.4 0.2 . 1 . . . . 91 HIS CB . 16570 1 1158 . 1 1 91 91 HIS N N 15 121.2 0.2 . 1 . . . . 91 HIS N . 16570 1 1159 . 1 1 92 92 HIS H H 1 8.26 0.02 . 1 . . . . 92 HIS H . 16570 1 1160 . 1 1 92 92 HIS HA H 1 4.52 0.02 . 1 . . . . 92 HIS HA . 16570 1 1161 . 1 1 92 92 HIS HB2 H 1 2.93 0.02 . 2 . . . . 92 HIS HB2 . 16570 1 1162 . 1 1 92 92 HIS HB3 H 1 2.99 0.02 . 2 . . . . 92 HIS HB3 . 16570 1 1163 . 1 1 92 92 HIS CA C 13 55.6 0.2 . 1 . . . . 92 HIS CA . 16570 1 1164 . 1 1 92 92 HIS CB C 13 29.9 0.2 . 1 . . . . 92 HIS CB . 16570 1 1165 . 1 1 92 92 HIS N N 15 121.7 0.2 . 1 . . . . 92 HIS N . 16570 1 stop_ save_