data_19452 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19452 _Entry.Title ; Solution NMR structure of a putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-26 _Entry.Accession_date 2013-08-26 _Entry.Last_release_date 2016-05-26 _Entry.Original_release_date 2016-05-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Garry Buchko . W. . . 19452 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 19452 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SSGCID . 19452 'human monocytic ehrlichiosis' . 19452 'infectious diseases' . 19452 thioredoxin . 19452 'tick diseases' . 19452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 19452 '15N chemical shifts' 109 19452 '1H chemical shifts' 616 19452 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 . . 2016-05-26 . original BMRB . 19452 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19452 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Ehrlichia chaffeensis thioredoxin ECH_0218 in the reduced state: disorder around the CXXC active site. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . . 19452 1 2 Stephen Hewitt . N. . . 19452 1 3 Wesley 'Van Voorhis' . C. . . 19452 1 4 Peter Myler . J. . . 19452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19452 _Assembly.ID 1 _Assembly.Name 'putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis' _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 'putative thioredoxin (ECH_0218)' 1 $entity A . yes native no no . . . 19452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19452 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGTLEAQTQGPGSMIEQIGD SEFDNKVTSCNDNILILVDF WAPWCGPCRSLEPQLEKLAQ QYTENVKIYKINIEDNQDVA TQYGVSAIPTILMFKNGKKL SQVIGADISKIISEINNNIN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14362.317 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19452 1 2 . GLY . 19452 1 3 . THR . 19452 1 4 . LEU . 19452 1 5 . GLU . 19452 1 6 . ALA . 19452 1 7 . GLN . 19452 1 8 . THR . 19452 1 9 . GLN . 19452 1 10 . GLY . 19452 1 11 . PRO . 19452 1 12 . GLY . 19452 1 13 . SER . 19452 1 14 . MET . 19452 1 15 . ILE . 19452 1 16 . GLU . 19452 1 17 . GLN . 19452 1 18 . ILE . 19452 1 19 . GLY . 19452 1 20 . ASP . 19452 1 21 . SER . 19452 1 22 . GLU . 19452 1 23 . PHE . 19452 1 24 . ASP . 19452 1 25 . ASN . 19452 1 26 . LYS . 19452 1 27 . VAL . 19452 1 28 . THR . 19452 1 29 . SER . 19452 1 30 . CYS . 19452 1 31 . ASN . 19452 1 32 . ASP . 19452 1 33 . ASN . 19452 1 34 . ILE . 19452 1 35 . LEU . 19452 1 36 . ILE . 19452 1 37 . LEU . 19452 1 38 . VAL . 19452 1 39 . ASP . 19452 1 40 . PHE . 19452 1 41 . TRP . 19452 1 42 . ALA . 19452 1 43 . PRO . 19452 1 44 . TRP . 19452 1 45 . CYS . 19452 1 46 . GLY . 19452 1 47 . PRO . 19452 1 48 . CYS . 19452 1 49 . ARG . 19452 1 50 . SER . 19452 1 51 . LEU . 19452 1 52 . GLU . 19452 1 53 . PRO . 19452 1 54 . GLN . 19452 1 55 . LEU . 19452 1 56 . GLU . 19452 1 57 . LYS . 19452 1 58 . LEU . 19452 1 59 . ALA . 19452 1 60 . GLN . 19452 1 61 . GLN . 19452 1 62 . TYR . 19452 1 63 . THR . 19452 1 64 . GLU . 19452 1 65 . ASN . 19452 1 66 . VAL . 19452 1 67 . LYS . 19452 1 68 . ILE . 19452 1 69 . TYR . 19452 1 70 . LYS . 19452 1 71 . ILE . 19452 1 72 . ASN . 19452 1 73 . ILE . 19452 1 74 . GLU . 19452 1 75 . ASP . 19452 1 76 . ASN . 19452 1 77 . GLN . 19452 1 78 . ASP . 19452 1 79 . VAL . 19452 1 80 . ALA . 19452 1 81 . THR . 19452 1 82 . GLN . 19452 1 83 . TYR . 19452 1 84 . GLY . 19452 1 85 . VAL . 19452 1 86 . SER . 19452 1 87 . ALA . 19452 1 88 . ILE . 19452 1 89 . PRO . 19452 1 90 . THR . 19452 1 91 . ILE . 19452 1 92 . LEU . 19452 1 93 . MET . 19452 1 94 . PHE . 19452 1 95 . LYS . 19452 1 96 . ASN . 19452 1 97 . GLY . 19452 1 98 . LYS . 19452 1 99 . LYS . 19452 1 100 . LEU . 19452 1 101 . SER . 19452 1 102 . GLN . 19452 1 103 . VAL . 19452 1 104 . ILE . 19452 1 105 . GLY . 19452 1 106 . ALA . 19452 1 107 . ASP . 19452 1 108 . ILE . 19452 1 109 . SER . 19452 1 110 . LYS . 19452 1 111 . ILE . 19452 1 112 . ILE . 19452 1 113 . SER . 19452 1 114 . GLU . 19452 1 115 . ILE . 19452 1 116 . ASN . 19452 1 117 . ASN . 19452 1 118 . ASN . 19452 1 119 . ILE . 19452 1 120 . ASN . 19452 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 . MET 1 1 19452 1 . GLY 2 2 19452 1 . THR 3 3 19452 1 . LEU 4 4 19452 1 . GLU 5 5 19452 1 . ALA 6 6 19452 1 . GLN 7 7 19452 1 . THR 8 8 19452 1 . GLN 9 9 19452 1 . GLY 10 10 19452 1 . PRO 11 11 19452 1 . GLY 12 12 19452 1 . SER 13 13 19452 1 . MET 14 14 19452 1 . ILE 15 15 19452 1 . GLU 16 16 19452 1 . GLN 17 17 19452 1 . ILE 18 18 19452 1 . GLY 19 19 19452 1 . ASP 20 20 19452 1 . SER 21 21 19452 1 . GLU 22 22 19452 1 . PHE 23 23 19452 1 . ASP 24 24 19452 1 . ASN 25 25 19452 1 . LYS 26 26 19452 1 . VAL 27 27 19452 1 . THR 28 28 19452 1 . SER 29 29 19452 1 . CYS 30 30 19452 1 . ASN 31 31 19452 1 . ASP 32 32 19452 1 . ASN 33 33 19452 1 . ILE 34 34 19452 1 . LEU 35 35 19452 1 . ILE 36 36 19452 1 . LEU 37 37 19452 1 . VAL 38 38 19452 1 . ASP 39 39 19452 1 . PHE 40 40 19452 1 . TRP 41 41 19452 1 . ALA 42 42 19452 1 . PRO 43 43 19452 1 . TRP 44 44 19452 1 . CYS 45 45 19452 1 . GLY 46 46 19452 1 . PRO 47 47 19452 1 . CYS 48 48 19452 1 . ARG 49 49 19452 1 . SER 50 50 19452 1 . LEU 51 51 19452 1 . GLU 52 52 19452 1 . PRO 53 53 19452 1 . GLN 54 54 19452 1 . LEU 55 55 19452 1 . GLU 56 56 19452 1 . LYS 57 57 19452 1 . LEU 58 58 19452 1 . ALA 59 59 19452 1 . GLN 60 60 19452 1 . GLN 61 61 19452 1 . TYR 62 62 19452 1 . THR 63 63 19452 1 . GLU 64 64 19452 1 . ASN 65 65 19452 1 . VAL 66 66 19452 1 . LYS 67 67 19452 1 . ILE 68 68 19452 1 . TYR 69 69 19452 1 . LYS 70 70 19452 1 . ILE 71 71 19452 1 . ASN 72 72 19452 1 . ILE 73 73 19452 1 . GLU 74 74 19452 1 . ASP 75 75 19452 1 . ASN 76 76 19452 1 . GLN 77 77 19452 1 . ASP 78 78 19452 1 . VAL 79 79 19452 1 . ALA 80 80 19452 1 . THR 81 81 19452 1 . GLN 82 82 19452 1 . TYR 83 83 19452 1 . GLY 84 84 19452 1 . VAL 85 85 19452 1 . SER 86 86 19452 1 . ALA 87 87 19452 1 . ILE 88 88 19452 1 . PRO 89 89 19452 1 . THR 90 90 19452 1 . ILE 91 91 19452 1 . LEU 92 92 19452 1 . MET 93 93 19452 1 . PHE 94 94 19452 1 . LYS 95 95 19452 1 . ASN 96 96 19452 1 . GLY 97 97 19452 1 . LYS 98 98 19452 1 . LYS 99 99 19452 1 . LEU 100 100 19452 1 . SER 101 101 19452 1 . GLN 102 102 19452 1 . VAL 103 103 19452 1 . ILE 104 104 19452 1 . GLY 105 105 19452 1 . ALA 106 106 19452 1 . ASP 107 107 19452 1 . ILE 108 108 19452 1 . SER 109 109 19452 1 . LYS 110 110 19452 1 . ILE 111 111 19452 1 . ILE 112 112 19452 1 . SER 113 113 19452 1 . GLU 114 114 19452 1 . ILE 115 115 19452 1 . ASN 116 116 19452 1 . ASN 117 117 19452 1 . ASN 118 118 19452 1 . ILE 119 119 19452 1 . ASN 120 120 19452 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 19452 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 205920 organism . 'Ehrlichia chaffeensis' a-proteobacteria . . Bacteria Proteobacteria Ehrlichia chaffeensis Arkansas . . . . . . . . . . ECH_0218 . 19452 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 19452 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-R3-pRARE2 . . . . . AVA0421 . . . 19452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19452 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 19452 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 19452 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 19452 1 4 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM 0.2 . . . 19452 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19452 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19452 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19452 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 19452 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 19452 2 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 19452 2 4 entity '[U-99% 15N]' . . 1 $entity . . 1 . . mM 0.2 . . . 19452 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19452 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19452 _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' 0.12 0.1 M 19452 1 pH 7.0 0.1 pH 19452 1 pressure 1 . atm 19452 1 temperature 293 1 K 19452 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19452 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19452 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19452 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19452 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19452 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19452 2 'peak picking' 19452 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19452 _Software.ID 3 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19452 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19452 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19452 _Software.ID 4 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19452 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19452 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19452 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19452 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19452 5 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 19452 _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 19452 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19452 _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 . . . 19452 1 2 spectrometer_2 Varian INOVA . 750 . . . 19452 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 19452 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 11 'deuterium exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19452 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 13 '2D HBCBCGCDCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 1 14 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19452 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 19452 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19452 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19452 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19452 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 19452 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 19452 1 2 '3D 1H-13C NOESY aliphatic' . . . 19452 1 3 '3D 1H-13C NOESY aromatic' . . . 19452 1 4 '3D C(CO)NH' . . . 19452 1 5 '3D HNCO' . . . 19452 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 MET C C 13 176.7 0.2 . 1 . . . A 9 MET C . 19452 1 2 . 1 1 1 1 MET CA C 13 55.8 0.2 . 1 . . . A 9 MET CA . 19452 1 3 . 1 1 1 1 MET CB C 13 32.1 0.2 . 1 . . . A 9 MET CB . 19452 1 4 . 1 1 2 2 GLY H H 1 8.48 0.02 . 1 . . . A 10 GLY H . 19452 1 5 . 1 1 2 2 GLY C C 13 174.4 0.2 . 1 . . . A 10 GLY C . 19452 1 6 . 1 1 2 2 GLY CA C 13 45.6 0.2 . 1 . . . A 10 GLY CA . 19452 1 7 . 1 1 2 2 GLY N N 15 109.9 0.2 . 1 . . . A 10 GLY N . 19452 1 8 . 1 1 3 3 THR H H 1 8.09 0.02 . 1 . . . A 11 THR H . 19452 1 9 . 1 1 3 3 THR C C 13 174.9 0.2 . 1 . . . A 11 THR C . 19452 1 10 . 1 1 3 3 THR CA C 13 62.4 0.2 . 1 . . . A 11 THR CA . 19452 1 11 . 1 1 3 3 THR CB C 13 70.0 0.2 . 1 . . . A 11 THR CB . 19452 1 12 . 1 1 3 3 THR CG2 C 13 21.7 0.2 . 1 . . . A 11 THR CG2 . 19452 1 13 . 1 1 3 3 THR N N 15 113.7 0.2 . 1 . . . A 11 THR N . 19452 1 14 . 1 1 4 4 LEU H H 1 8.40 0.02 . 1 . . . A 12 LEU H . 19452 1 15 . 1 1 4 4 LEU C C 13 177.6 0.2 . 1 . . . A 12 LEU C . 19452 1 16 . 1 1 4 4 LEU CA C 13 55.7 0.2 . 1 . . . A 12 LEU CA . 19452 1 17 . 1 1 4 4 LEU CB C 13 42.3 0.2 . 1 . . . A 12 LEU CB . 19452 1 18 . 1 1 4 4 LEU CD1 C 13 24.9 0.2 . 1 . . . A 12 LEU CD1 . 19452 1 19 . 1 1 4 4 LEU CD2 C 13 23.8 0.2 . 1 . . . A 12 LEU CD2 . 19452 1 20 . 1 1 4 4 LEU N N 15 124.1 0.2 . 1 . . . A 12 LEU N . 19452 1 21 . 1 1 5 5 GLU H H 1 8.43 0.02 . 1 . . . A 13 GLU H . 19452 1 22 . 1 1 5 5 GLU C C 13 176.5 0.2 . 1 . . . A 13 GLU C . 19452 1 23 . 1 1 5 5 GLU CA C 13 57.0 0.2 . 1 . . . A 13 GLU CA . 19452 1 24 . 1 1 5 5 GLU CB C 13 29.9 0.2 . 1 . . . A 13 GLU CB . 19452 1 25 . 1 1 5 5 GLU CG C 13 36.4 0.2 . 1 . . . A 13 GLU CG . 19452 1 26 . 1 1 5 5 GLU N N 15 121.6 0.2 . 1 . . . A 13 GLU N . 19452 1 27 . 1 1 6 6 ALA H H 1 8.33 0.02 . 1 . . . A 14 ALA H . 19452 1 28 . 1 1 6 6 ALA C C 13 177.9 0.2 . 1 . . . A 14 ALA C . 19452 1 29 . 1 1 6 6 ALA CA C 13 52.9 0.2 . 1 . . . A 14 ALA CA . 19452 1 30 . 1 1 6 6 ALA CB C 13 19.2 0.2 . 1 . . . A 14 ALA CB . 19452 1 31 . 1 1 6 6 ALA N N 15 124.5 0.2 . 1 . . . A 14 ALA N . 19452 1 32 . 1 1 7 7 GLN H H 1 8.40 0.02 . 1 . . . A 15 GLN H . 19452 1 33 . 1 1 7 7 GLN C C 13 176.4 0.2 . 1 . . . A 15 GLN C . 19452 1 34 . 1 1 7 7 GLN CA C 13 56.0 0.2 . 1 . . . A 15 GLN CA . 19452 1 35 . 1 1 7 7 GLN CB C 13 29.2 0.2 . 1 . . . A 15 GLN CB . 19452 1 36 . 1 1 7 7 GLN CG C 13 34.0 0.2 . 1 . . . A 15 GLN CG . 19452 1 37 . 1 1 7 7 GLN N N 15 119.2 0.2 . 1 . . . A 15 GLN N . 19452 1 38 . 1 1 8 8 THR H H 1 8.21 0.02 . 1 . . . A 16 THR H . 19452 1 39 . 1 1 8 8 THR C C 13 174.5 0.2 . 1 . . . A 16 THR C . 19452 1 40 . 1 1 8 8 THR CA C 13 62.3 0.2 . 1 . . . A 16 THR CA . 19452 1 41 . 1 1 8 8 THR CB C 13 70.0 0.2 . 1 . . . A 16 THR CB . 19452 1 42 . 1 1 8 8 THR CG2 C 13 21.6 0.2 . 1 . . . A 16 THR CG2 . 19452 1 43 . 1 1 8 8 THR N N 15 115.1 0.2 . 1 . . . A 16 THR N . 19452 1 44 . 1 1 9 9 GLN H H 1 8.47 0.02 . 1 . . . A 17 GLN H . 19452 1 45 . 1 1 9 9 GLN C C 13 176.1 0.2 . 1 . . . A 17 GLN C . 19452 1 46 . 1 1 9 9 GLN CA C 13 55.9 0.2 . 1 . . . A 17 GLN CA . 19452 1 47 . 1 1 9 9 GLN CB C 13 29.5 0.2 . 1 . . . A 17 GLN CB . 19452 1 48 . 1 1 9 9 GLN CG C 13 33.9 0.2 . 1 . . . A 17 GLN CG . 19452 1 49 . 1 1 9 9 GLN N N 15 122.3 0.2 . 1 . . . A 17 GLN N . 19452 1 50 . 1 1 10 10 GLY H H 1 8.36 0.02 . 1 . . . A 18 GLY H . 19452 1 51 . 1 1 10 10 GLY HA2 H 1 4.17 0.02 . 2 . . . A 18 GLY HA2 . 19452 1 52 . 1 1 10 10 GLY HA3 H 1 4.05 0.02 . 2 . . . A 18 GLY HA3 . 19452 1 53 . 1 1 10 10 GLY CA C 13 44.4 0.2 . 1 . . . A 18 GLY CA . 19452 1 54 . 1 1 10 10 GLY N N 15 110.3 0.2 . 1 . . . A 18 GLY N . 19452 1 55 . 1 1 11 11 PRO HA H 1 4.44 0.02 . 1 . . . A 19 PRO HA . 19452 1 56 . 1 1 11 11 PRO HB2 H 1 1.98 0.02 . 2 . . . A 19 PRO HB2 . 19452 1 57 . 1 1 11 11 PRO HB3 H 1 2.28 0.02 . 2 . . . A 19 PRO HB3 . 19452 1 58 . 1 1 11 11 PRO HG2 H 1 2.03 0.02 . 2 . . . A 19 PRO HG2 . 19452 1 59 . 1 1 11 11 PRO HG3 H 1 2.03 0.02 . 2 . . . A 19 PRO HG3 . 19452 1 60 . 1 1 11 11 PRO HD2 H 1 3.64 0.02 . 2 . . . A 19 PRO HD2 . 19452 1 61 . 1 1 11 11 PRO HD3 H 1 3.64 0.02 . 2 . . . A 19 PRO HD3 . 19452 1 62 . 1 1 11 11 PRO C C 13 177.8 0.2 . 1 . . . A 19 PRO C . 19452 1 63 . 1 1 11 11 PRO CA C 13 63.3 0.2 . 1 . . . A 19 PRO CA . 19452 1 64 . 1 1 11 11 PRO CB C 13 32.0 0.2 . 1 . . . A 19 PRO CB . 19452 1 65 . 1 1 11 11 PRO CG C 13 27.0 0.2 . 1 . . . A 19 PRO CG . 19452 1 66 . 1 1 11 11 PRO CD C 13 49.6 0.2 . 1 . . . A 19 PRO CD . 19452 1 67 . 1 1 12 12 GLY H H 1 8.60 0.02 . 1 . . . A 20 GLY H . 19452 1 68 . 1 1 12 12 GLY HA2 H 1 3.93 0.02 . 2 . . . A 20 GLY HA2 . 19452 1 69 . 1 1 12 12 GLY HA3 H 1 3.93 0.02 . 2 . . . A 20 GLY HA3 . 19452 1 70 . 1 1 12 12 GLY CA C 13 44.9 0.2 . 1 . . . A 20 GLY CA . 19452 1 71 . 1 1 12 12 GLY N N 15 109.6 0.2 . 1 . . . A 20 GLY N . 19452 1 72 . 1 1 13 13 SER H H 1 8.13 0.02 . 1 . . . A 21 SER H . 19452 1 73 . 1 1 13 13 SER HA H 1 4.51 0.02 . 1 . . . A 21 SER HA . 19452 1 74 . 1 1 13 13 SER HB2 H 1 3.90 0.02 . 2 . . . A 21 SER HB2 . 19452 1 75 . 1 1 13 13 SER HB3 H 1 3.71 0.02 . 2 . . . A 21 SER HB3 . 19452 1 76 . 1 1 13 13 SER C C 13 175.3 0.2 . 1 . . . A 21 SER C . 19452 1 77 . 1 1 13 13 SER CA C 13 57.8 0.2 . 1 . . . A 21 SER CA . 19452 1 78 . 1 1 13 13 SER CB C 13 62.3 0.2 . 1 . . . A 21 SER CB . 19452 1 79 . 1 1 13 13 SER N N 15 114.7 0.2 . 1 . . . A 21 SER N . 19452 1 80 . 1 1 14 14 MET H H 1 9.43 0.02 . 1 . . . A 22 MET H . 19452 1 81 . 1 1 14 14 MET HA H 1 4.47 0.02 . 1 . . . A 22 MET HA . 19452 1 82 . 1 1 14 14 MET CA C 13 55.7 0.2 . 1 . . . A 22 MET CA . 19452 1 83 . 1 1 14 14 MET CB C 13 32.7 0.2 . 1 . . . A 22 MET CB . 19452 1 84 . 1 1 14 14 MET N N 15 124.3 0.2 . 1 . . . A 22 MET N . 19452 1 85 . 1 1 15 15 ILE H H 1 8.52 0.02 . 1 . . . A 23 ILE H . 19452 1 86 . 1 1 15 15 ILE HA H 1 4.01 0.02 . 1 . . . A 23 ILE HA . 19452 1 87 . 1 1 15 15 ILE HB H 1 1.59 0.02 . 1 . . . A 23 ILE HB . 19452 1 88 . 1 1 15 15 ILE HG12 H 1 1.37 0.02 . 2 . . . A 23 ILE HG12 . 19452 1 89 . 1 1 15 15 ILE HG13 H 1 0.77 0.02 . 2 . . . A 23 ILE HG13 . 19452 1 90 . 1 1 15 15 ILE HG21 H 1 0.54 0.02 . 1 . . . A 23 ILE HG21 . 19452 1 91 . 1 1 15 15 ILE HG22 H 1 0.54 0.02 . 1 . . . A 23 ILE HG22 . 19452 1 92 . 1 1 15 15 ILE HG23 H 1 0.54 0.02 . 1 . . . A 23 ILE HG23 . 19452 1 93 . 1 1 15 15 ILE HD11 H 1 0.59 0.02 . 1 . . . A 23 ILE HD11 . 19452 1 94 . 1 1 15 15 ILE HD12 H 1 0.59 0.02 . 1 . . . A 23 ILE HD12 . 19452 1 95 . 1 1 15 15 ILE HD13 H 1 0.59 0.02 . 1 . . . A 23 ILE HD13 . 19452 1 96 . 1 1 15 15 ILE C C 13 175.3 0.2 . 1 . . . A 23 ILE C . 19452 1 97 . 1 1 15 15 ILE CA C 13 60.7 0.2 . 1 . . . A 23 ILE CA . 19452 1 98 . 1 1 15 15 ILE CB C 13 37.5 0.2 . 1 . . . A 23 ILE CB . 19452 1 99 . 1 1 15 15 ILE CG1 C 13 27.2 0.2 . 1 . . . A 23 ILE CG1 . 19452 1 100 . 1 1 15 15 ILE CG2 C 13 16.9 0.2 . 1 . . . A 23 ILE CG2 . 19452 1 101 . 1 1 15 15 ILE CD1 C 13 13.1 0.2 . 1 . . . A 23 ILE CD1 . 19452 1 102 . 1 1 15 15 ILE N N 15 122.6 0.2 . 1 . . . A 23 ILE N . 19452 1 103 . 1 1 16 16 GLU H H 1 8.22 0.02 . 1 . . . A 24 GLU H . 19452 1 104 . 1 1 16 16 GLU HA H 1 4.37 0.02 . 1 . . . A 24 GLU HA . 19452 1 105 . 1 1 16 16 GLU HB2 H 1 2.10 0.02 . 2 . . . A 24 GLU HB2 . 19452 1 106 . 1 1 16 16 GLU HB3 H 1 2.10 0.02 . 2 . . . A 24 GLU HB3 . 19452 1 107 . 1 1 16 16 GLU HG2 H 1 2.41 0.02 . 2 . . . A 24 GLU HG2 . 19452 1 108 . 1 1 16 16 GLU HG3 H 1 2.25 0.02 . 2 . . . A 24 GLU HG3 . 19452 1 109 . 1 1 16 16 GLU C C 13 175.5 0.2 . 1 . . . A 24 GLU C . 19452 1 110 . 1 1 16 16 GLU CA C 13 56.1 0.2 . 1 . . . A 24 GLU CA . 19452 1 111 . 1 1 16 16 GLU CB C 13 31.4 0.2 . 1 . . . A 24 GLU CB . 19452 1 112 . 1 1 16 16 GLU CG C 13 36.2 0.2 . 1 . . . A 24 GLU CG . 19452 1 113 . 1 1 16 16 GLU N N 15 129.3 0.2 . 1 . . . A 24 GLU N . 19452 1 114 . 1 1 17 17 GLN H H 1 8.81 0.02 . 1 . . . A 25 GLN H . 19452 1 115 . 1 1 17 17 GLN HA H 1 5.12 0.02 . 1 . . . A 25 GLN HA . 19452 1 116 . 1 1 17 17 GLN HB2 H 1 2.14 0.02 . 2 . . . A 25 GLN HB2 . 19452 1 117 . 1 1 17 17 GLN HB3 H 1 2.04 0.02 . 2 . . . A 25 GLN HB3 . 19452 1 118 . 1 1 17 17 GLN HG2 H 1 2.56 0.02 . 2 . . . A 25 GLN HG2 . 19452 1 119 . 1 1 17 17 GLN HG3 H 1 2.31 0.02 . 2 . . . A 25 GLN HG3 . 19452 1 120 . 1 1 17 17 GLN C C 13 176.0 0.2 . 1 . . . A 25 GLN C . 19452 1 121 . 1 1 17 17 GLN CA C 13 55.2 0.2 . 1 . . . A 25 GLN CA . 19452 1 122 . 1 1 17 17 GLN CB C 13 30.4 0.2 . 1 . . . A 25 GLN CB . 19452 1 123 . 1 1 17 17 GLN CG C 13 34.9 0.2 . 1 . . . A 25 GLN CG . 19452 1 124 . 1 1 17 17 GLN N N 15 124.5 0.2 . 1 . . . A 25 GLN N . 19452 1 125 . 1 1 18 18 ILE H H 1 8.84 0.02 . 1 . . . A 26 ILE H . 19452 1 126 . 1 1 18 18 ILE HB H 1 1.73 0.02 . 1 . . . A 26 ILE HB . 19452 1 127 . 1 1 18 18 ILE HG12 H 1 1.25 0.02 . 2 . . . A 26 ILE HG12 . 19452 1 128 . 1 1 18 18 ILE HG13 H 1 0.76 0.02 . 2 . . . A 26 ILE HG13 . 19452 1 129 . 1 1 18 18 ILE HG21 H 1 0.56 0.02 . 1 . . . A 26 ILE HG21 . 19452 1 130 . 1 1 18 18 ILE HG22 H 1 0.56 0.02 . 1 . . . A 26 ILE HG22 . 19452 1 131 . 1 1 18 18 ILE HG23 H 1 0.56 0.02 . 1 . . . A 26 ILE HG23 . 19452 1 132 . 1 1 18 18 ILE HD11 H 1 0.21 0.02 . 1 . . . A 26 ILE HD11 . 19452 1 133 . 1 1 18 18 ILE HD12 H 1 0.21 0.02 . 1 . . . A 26 ILE HD12 . 19452 1 134 . 1 1 18 18 ILE HD13 H 1 0.21 0.02 . 1 . . . A 26 ILE HD13 . 19452 1 135 . 1 1 18 18 ILE C C 13 174.4 0.2 . 1 . . . A 26 ILE C . 19452 1 136 . 1 1 18 18 ILE CA C 13 59.6 0.2 . 1 . . . A 26 ILE CA . 19452 1 137 . 1 1 18 18 ILE CB C 13 42.8 0.2 . 1 . . . A 26 ILE CB . 19452 1 138 . 1 1 18 18 ILE CG1 C 13 25.4 0.2 . 1 . . . A 26 ILE CG1 . 19452 1 139 . 1 1 18 18 ILE CG2 C 13 18.1 0.2 . 1 . . . A 26 ILE CG2 . 19452 1 140 . 1 1 18 18 ILE CD1 C 13 13.8 0.2 . 1 . . . A 26 ILE CD1 . 19452 1 141 . 1 1 18 18 ILE N N 15 118.7 0.2 . 1 . . . A 26 ILE N . 19452 1 142 . 1 1 19 19 GLY H H 1 8.18 0.02 . 1 . . . A 27 GLY H . 19452 1 143 . 1 1 19 19 GLY HA2 H 1 4.58 0.02 . 2 . . . A 27 GLY HA2 . 19452 1 144 . 1 1 19 19 GLY HA3 H 1 3.86 0.02 . 2 . . . A 27 GLY HA3 . 19452 1 145 . 1 1 19 19 GLY C C 13 174.8 0.2 . 1 . . . A 27 GLY C . 19452 1 146 . 1 1 19 19 GLY CA C 13 43.1 0.2 . 1 . . . A 27 GLY CA . 19452 1 147 . 1 1 19 19 GLY N N 15 107.3 0.2 . 1 . . . A 27 GLY N . 19452 1 148 . 1 1 20 20 ASP H H 1 8.09 0.02 . 1 . . . A 28 ASP H . 19452 1 149 . 1 1 20 20 ASP HA H 1 4.59 0.02 . 1 . . . A 28 ASP HA . 19452 1 150 . 1 1 20 20 ASP HB2 H 1 2.96 0.02 . 2 . . . A 28 ASP HB2 . 19452 1 151 . 1 1 20 20 ASP HB3 H 1 2.59 0.02 . 2 . . . A 28 ASP HB3 . 19452 1 152 . 1 1 20 20 ASP C C 13 179.9 0.2 . 1 . . . A 28 ASP C . 19452 1 153 . 1 1 20 20 ASP CA C 13 58.0 0.2 . 1 . . . A 28 ASP CA . 19452 1 154 . 1 1 20 20 ASP CB C 13 42.1 0.2 . 1 . . . A 28 ASP CB . 19452 1 155 . 1 1 20 20 ASP N N 15 119.1 0.2 . 1 . . . A 28 ASP N . 19452 1 156 . 1 1 21 21 SER H H 1 8.75 0.02 . 1 . . . A 29 SER H . 19452 1 157 . 1 1 21 21 SER HA H 1 4.32 0.02 . 1 . . . A 29 SER HA . 19452 1 158 . 1 1 21 21 SER HB2 H 1 4.02 0.02 . 2 . . . A 29 SER HB2 . 19452 1 159 . 1 1 21 21 SER HB3 H 1 3.97 0.02 . 2 . . . A 29 SER HB3 . 19452 1 160 . 1 1 21 21 SER CA C 13 60.7 0.2 . 1 . . . A 29 SER CA . 19452 1 161 . 1 1 21 21 SER CB C 13 62.5 0.2 . 1 . . . A 29 SER CB . 19452 1 162 . 1 1 21 21 SER N N 15 112.0 0.2 . 1 . . . A 29 SER N . 19452 1 163 . 1 1 22 22 GLU H H 1 7.66 0.02 . 1 . . . A 30 GLU H . 19452 1 164 . 1 1 22 22 GLU HA H 1 4.58 0.02 . 1 . . . A 30 GLU HA . 19452 1 165 . 1 1 22 22 GLU HB2 H 1 2.14 0.02 . 2 . . . A 30 GLU HB2 . 19452 1 166 . 1 1 22 22 GLU HB3 H 1 2.04 0.02 . 2 . . . A 30 GLU HB3 . 19452 1 167 . 1 1 22 22 GLU HG2 H 1 2.27 0.02 . 2 . . . A 30 GLU HG2 . 19452 1 168 . 1 1 22 22 GLU HG3 H 1 2.19 0.02 . 2 . . . A 30 GLU HG3 . 19452 1 169 . 1 1 22 22 GLU C C 13 176.0 0.2 . 1 . . . A 30 GLU C . 19452 1 170 . 1 1 22 22 GLU CA C 13 56.2 0.2 . 1 . . . A 30 GLU CA . 19452 1 171 . 1 1 22 22 GLU CB C 13 31.6 0.2 . 1 . . . A 30 GLU CB . 19452 1 172 . 1 1 22 22 GLU CG C 13 37.1 0.2 . 1 . . . A 30 GLU CG . 19452 1 173 . 1 1 22 22 GLU N N 15 119.0 0.2 . 1 . . . A 30 GLU N . 19452 1 174 . 1 1 23 23 PHE H H 1 7.49 0.02 . 1 . . . A 31 PHE H . 19452 1 175 . 1 1 23 23 PHE HA H 1 3.57 0.02 . 1 . . . A 31 PHE HA . 19452 1 176 . 1 1 23 23 PHE HB2 H 1 3.07 0.02 . 2 . . . A 31 PHE HB2 . 19452 1 177 . 1 1 23 23 PHE HB3 H 1 3.02 0.02 . 2 . . . A 31 PHE HB3 . 19452 1 178 . 1 1 23 23 PHE HD1 H 1 6.96 0.02 . 3 . . . A 31 PHE HD1 . 19452 1 179 . 1 1 23 23 PHE HD2 H 1 6.96 0.02 . 3 . . . A 31 PHE HD2 . 19452 1 180 . 1 1 23 23 PHE HE1 H 1 6.96 0.02 . 3 . . . A 31 PHE HE1 . 19452 1 181 . 1 1 23 23 PHE HE2 H 1 6.96 0.02 . 3 . . . A 31 PHE HE2 . 19452 1 182 . 1 1 23 23 PHE C C 13 176.5 0.2 . 1 . . . A 31 PHE C . 19452 1 183 . 1 1 23 23 PHE CA C 13 63.1 0.2 . 1 . . . A 31 PHE CA . 19452 1 184 . 1 1 23 23 PHE CB C 13 40.7 0.2 . 1 . . . A 31 PHE CB . 19452 1 185 . 1 1 23 23 PHE CD1 C 13 132.0 0.2 . 3 . . . A 31 PHE CD1 . 19452 1 186 . 1 1 23 23 PHE CD2 C 13 132.0 0.2 . 3 . . . A 31 PHE CD2 . 19452 1 187 . 1 1 23 23 PHE CE1 C 13 131.1 0.2 . 3 . . . A 31 PHE CE1 . 19452 1 188 . 1 1 23 23 PHE CE2 C 13 131.1 0.2 . 3 . . . A 31 PHE CE2 . 19452 1 189 . 1 1 23 23 PHE N N 15 120.9 0.2 . 1 . . . A 31 PHE N . 19452 1 190 . 1 1 24 24 ASP H H 1 8.90 0.02 . 1 . . . A 32 ASP H . 19452 1 191 . 1 1 24 24 ASP HA H 1 4.63 0.02 . 1 . . . A 32 ASP HA . 19452 1 192 . 1 1 24 24 ASP HB2 H 1 2.64 0.02 . 2 . . . A 32 ASP HB2 . 19452 1 193 . 1 1 24 24 ASP HB3 H 1 2.64 0.02 . 2 . . . A 32 ASP HB3 . 19452 1 194 . 1 1 24 24 ASP C C 13 178.4 0.2 . 1 . . . A 32 ASP C . 19452 1 195 . 1 1 24 24 ASP CA C 13 56.7 0.2 . 1 . . . A 32 ASP CA . 19452 1 196 . 1 1 24 24 ASP CB C 13 40.2 0.2 . 1 . . . A 32 ASP CB . 19452 1 197 . 1 1 24 24 ASP CG C 13 8.33 0.2 . 1 . . . A 32 ASP CG . 19452 1 198 . 1 1 24 24 ASP N N 15 118.5 0.2 . 1 . . . A 32 ASP N . 19452 1 199 . 1 1 25 25 ASN HA H 1 4.20 0.02 . 1 . . . A 33 ASN HA . 19452 1 200 . 1 1 25 25 ASN HB2 H 1 2.80 0.02 . 2 . . . A 33 ASN HB2 . 19452 1 201 . 1 1 25 25 ASN HB3 H 1 2.64 0.02 . 2 . . . A 33 ASN HB3 . 19452 1 202 . 1 1 25 25 ASN HD21 H 1 6.93 0.02 . 2 . . . A 33 ASN HD21 . 19452 1 203 . 1 1 25 25 ASN HD22 H 1 7.78 0.02 . 2 . . . A 33 ASN HD22 . 19452 1 204 . 1 1 25 25 ASN C C 13 176.4 0.2 . 1 . . . A 33 ASN C . 19452 1 205 . 1 1 25 25 ASN CA C 13 56.0 0.2 . 1 . . . A 33 ASN CA . 19452 1 206 . 1 1 25 25 ASN CB C 13 39.0 0.2 . 1 . . . A 33 ASN CB . 19452 1 207 . 1 1 25 25 ASN N N 15 117.2 0.2 . 1 . . . A 33 ASN N . 19452 1 208 . 1 1 25 25 ASN ND2 N 15 112.4 0.2 . 1 . . . A 33 ASN ND2 . 19452 1 209 . 1 1 26 26 LYS H H 1 7.73 0.02 . 1 . . . A 34 LYS H . 19452 1 210 . 1 1 26 26 LYS HA H 1 4.00 0.02 . 1 . . . A 34 LYS HA . 19452 1 211 . 1 1 26 26 LYS HB2 H 1 1.21 0.02 . 2 . . . A 34 LYS HB2 . 19452 1 212 . 1 1 26 26 LYS HB3 H 1 1.17 0.02 . 2 . . . A 34 LYS HB3 . 19452 1 213 . 1 1 26 26 LYS HG2 H 1 1.48 0.02 . 2 . . . A 34 LYS HG2 . 19452 1 214 . 1 1 26 26 LYS HG3 H 1 1.34 0.02 . 2 . . . A 34 LYS HG3 . 19452 1 215 . 1 1 26 26 LYS HD2 H 1 1.35 0.02 . 2 . . . A 34 LYS HD2 . 19452 1 216 . 1 1 26 26 LYS HD3 H 1 1.15 0.02 . 2 . . . A 34 LYS HD3 . 19452 1 217 . 1 1 26 26 LYS HE2 H 1 2.86 0.02 . 2 . . . A 34 LYS HE2 . 19452 1 218 . 1 1 26 26 LYS HE3 H 1 2.86 0.02 . 2 . . . A 34 LYS HE3 . 19452 1 219 . 1 1 26 26 LYS C C 13 175.5 0.2 . 1 . . . A 34 LYS C . 19452 1 220 . 1 1 26 26 LYS CA C 13 56.3 0.2 . 1 . . . A 34 LYS CA . 19452 1 221 . 1 1 26 26 LYS CB C 13 33.0 0.2 . 1 . . . A 34 LYS CB . 19452 1 222 . 1 1 26 26 LYS CG C 13 28.3 0.2 . 1 . . . A 34 LYS CG . 19452 1 223 . 1 1 26 26 LYS CD C 13 25.6 0.2 . 1 . . . A 34 LYS CD . 19452 1 224 . 1 1 26 26 LYS CE C 13 42.1 0.2 . 1 . . . A 34 LYS CE . 19452 1 225 . 1 1 26 26 LYS N N 15 112.8 0.2 . 1 . . . A 34 LYS N . 19452 1 226 . 1 1 27 27 VAL H H 1 7.68 0.02 . 1 . . . A 35 VAL H . 19452 1 227 . 1 1 27 27 VAL HA H 1 4.04 0.02 . 1 . . . A 35 VAL HA . 19452 1 228 . 1 1 27 27 VAL HB H 1 0.46 0.02 . 1 . . . A 35 VAL HB . 19452 1 229 . 1 1 27 27 VAL HG11 H 1 0.01 0.02 . 2 . . . A 35 VAL HG11 . 19452 1 230 . 1 1 27 27 VAL HG12 H 1 0.01 0.02 . 2 . . . A 35 VAL HG12 . 19452 1 231 . 1 1 27 27 VAL HG13 H 1 0.01 0.02 . 2 . . . A 35 VAL HG13 . 19452 1 232 . 1 1 27 27 VAL HG21 H 1 -0.41 0.02 . 2 . . . A 35 VAL HG21 . 19452 1 233 . 1 1 27 27 VAL HG22 H 1 -0.41 0.02 . 2 . . . A 35 VAL HG22 . 19452 1 234 . 1 1 27 27 VAL HG23 H 1 -0.41 0.02 . 2 . . . A 35 VAL HG23 . 19452 1 235 . 1 1 27 27 VAL C C 13 177.9 0.2 . 1 . . . A 35 VAL C . 19452 1 236 . 1 1 27 27 VAL CA C 13 63.7 0.2 . 1 . . . A 35 VAL CA . 19452 1 237 . 1 1 27 27 VAL CB C 13 32.3 0.2 . 1 . . . A 35 VAL CB . 19452 1 238 . 1 1 27 27 VAL CG1 C 13 20.3 0.2 . 2 . . . A 35 VAL CG1 . 19452 1 239 . 1 1 27 27 VAL CG2 C 13 20.3 0.2 . 2 . . . A 35 VAL CG2 . 19452 1 240 . 1 1 27 27 VAL N N 15 114.5 0.2 . 1 . . . A 35 VAL N . 19452 1 241 . 1 1 28 28 THR H H 1 7.01 0.2 . 1 . . . A 36 THR H . 19452 1 242 . 1 1 28 28 THR HA H 1 3.71 0.02 . 1 . . . A 36 THR HA . 19452 1 243 . 1 1 28 28 THR HB H 1 4.47 0.02 . 1 . . . A 36 THR HB . 19452 1 244 . 1 1 28 28 THR HG21 H 1 1.12 0.02 . 1 . . . A 36 THR HG21 . 19452 1 245 . 1 1 28 28 THR HG22 H 1 1.12 0.02 . 1 . . . A 36 THR HG22 . 19452 1 246 . 1 1 28 28 THR HG23 H 1 1.12 0.02 . 1 . . . A 36 THR HG23 . 19452 1 247 . 1 1 28 28 THR C C 13 175.8 0.2 . 1 . . . A 36 THR C . 19452 1 248 . 1 1 28 28 THR CA C 13 65.2 0.2 . 1 . . . A 36 THR CA . 19452 1 249 . 1 1 28 28 THR CB C 13 68.1 0.2 . 1 . . . A 36 THR CB . 19452 1 250 . 1 1 28 28 THR CG2 C 13 23.5 0.2 . 1 . . . A 36 THR CG2 . 19452 1 251 . 1 1 28 28 THR N N 15 110.0 0.2 . 1 . . . A 36 THR N . 19452 1 252 . 1 1 29 29 SER H H 1 8.35 0.02 . 1 . . . A 37 SER H . 19452 1 253 . 1 1 29 29 SER HA H 1 4.48 0.02 . 1 . . . A 37 SER HA . 19452 1 254 . 1 1 29 29 SER HB2 H 1 3.90 0.02 . 2 . . . A 37 SER HB2 . 19452 1 255 . 1 1 29 29 SER HB3 H 1 3.90 0.02 . 2 . . . A 37 SER HB3 . 19452 1 256 . 1 1 29 29 SER C C 13 174.2 0.2 . 1 . . . A 37 SER C . 19452 1 257 . 1 1 29 29 SER CA C 13 58.5 0.2 . 1 . . . A 37 SER CA . 19452 1 258 . 1 1 29 29 SER CB C 13 63.3 0.2 . 1 . . . A 37 SER CB . 19452 1 259 . 1 1 29 29 SER N N 15 113.6 0.2 . 1 . . . A 37 SER N . 19452 1 260 . 1 1 30 30 CYS H H 1 6.81 0.02 . 1 . . . A 38 CYS H . 19452 1 261 . 1 1 30 30 CYS HA H 1 4.12 0.02 . 1 . . . A 38 CYS HA . 19452 1 262 . 1 1 30 30 CYS HB2 H 1 2.94 0.02 . 2 . . . A 38 CYS HB2 . 19452 1 263 . 1 1 30 30 CYS HB3 H 1 2.60 0.02 . 2 . . . A 38 CYS HB3 . 19452 1 264 . 1 1 30 30 CYS C C 13 174.2 0.2 . 1 . . . A 38 CYS C . 19452 1 265 . 1 1 30 30 CYS CA C 13 69.7 0.2 . 1 . . . A 38 CYS CA . 19452 1 266 . 1 1 30 30 CYS CB C 13 27.8 0.2 . 1 . . . A 38 CYS CB . 19452 1 267 . 1 1 30 30 CYS N N 15 120.0 0.2 . 1 . . . A 38 CYS N . 19452 1 268 . 1 1 31 31 ASN H H 1 8.76 0.02 . 1 . . . A 39 ASN H . 19452 1 269 . 1 1 31 31 ASN HA H 1 5.11 0.02 . 1 . . . A 39 ASN HA . 19452 1 270 . 1 1 31 31 ASN HB2 H 1 2.80 0.02 . 2 . . . A 39 ASN HB2 . 19452 1 271 . 1 1 31 31 ASN HB3 H 1 2.53 0.02 . 2 . . . A 39 ASN HB3 . 19452 1 272 . 1 1 31 31 ASN HD21 H 1 6.66 0.02 . 2 . . . A 39 ASN HD21 . 19452 1 273 . 1 1 31 31 ASN HD22 H 1 7.42 0.02 . 2 . . . A 39 ASN HD22 . 19452 1 274 . 1 1 31 31 ASN C C 13 174.9 0.2 . 1 . . . A 39 ASN C . 19452 1 275 . 1 1 31 31 ASN CA C 13 52.4 0.2 . 1 . . . A 39 ASN CA . 19452 1 276 . 1 1 31 31 ASN CB C 13 38.5 0.2 . 1 . . . A 39 ASN CB . 19452 1 277 . 1 1 31 31 ASN N N 15 124.3 0.2 . 1 . . . A 39 ASN N . 19452 1 278 . 1 1 31 31 ASN ND2 N 15 111.2 0.2 . 1 . . . A 39 ASN ND2 . 19452 1 279 . 1 1 32 32 ASP H H 1 7.72 0.2 . 1 . . . A 40 ASP H . 19452 1 280 . 1 1 32 32 ASP HA H 1 4.56 0.02 . 1 . . . A 40 ASP HA . 19452 1 281 . 1 1 32 32 ASP HB2 H 1 2.96 0.02 . 2 . . . A 40 ASP HB2 . 19452 1 282 . 1 1 32 32 ASP HB3 H 1 2.59 0.02 . 2 . . . A 40 ASP HB3 . 19452 1 283 . 1 1 32 32 ASP C C 13 176.6 0.2 . 1 . . . A 40 ASP C . 19452 1 284 . 1 1 32 32 ASP CA C 13 53.5 0.2 . 1 . . . A 40 ASP CA . 19452 1 285 . 1 1 32 32 ASP CB C 13 42.0 0.2 . 1 . . . A 40 ASP CB . 19452 1 286 . 1 1 32 32 ASP N N 15 119.0 0.2 . 1 . . . A 40 ASP N . 19452 1 287 . 1 1 33 33 ASN H H 1 9.75 0.02 . 1 . . . A 41 ASN H . 19452 1 288 . 1 1 33 33 ASN HA H 1 4.17 0.02 . 1 . . . A 41 ASN HA . 19452 1 289 . 1 1 33 33 ASN HB2 H 1 3.13 0.02 . 2 . . . A 41 ASN HB2 . 19452 1 290 . 1 1 33 33 ASN HB3 H 1 3.13 0.02 . 2 . . . A 41 ASN HB3 . 19452 1 291 . 1 1 33 33 ASN HD21 H 1 7.20 0.02 . 2 . . . A 41 ASN HD21 . 19452 1 292 . 1 1 33 33 ASN HD22 H 1 7.48 0.02 . 2 . . . A 41 ASN HD22 . 19452 1 293 . 1 1 33 33 ASN C C 13 173.7 0.2 . 1 . . . A 41 ASN C . 19452 1 294 . 1 1 33 33 ASN CA C 13 54.3 0.2 . 1 . . . A 41 ASN CA . 19452 1 295 . 1 1 33 33 ASN CB C 13 37.8 0.2 . 1 . . . A 41 ASN CB . 19452 1 296 . 1 1 33 33 ASN N N 15 115.4 0.2 . 1 . . . A 41 ASN N . 19452 1 297 . 1 1 33 33 ASN ND2 N 15 110.7 0.2 . 1 . . . A 41 ASN ND2 . 19452 1 298 . 1 1 34 34 ILE H H 1 7.85 0.02 . 1 . . . A 42 ILE H . 19452 1 299 . 1 1 34 34 ILE HA H 1 4.02 0.02 . 1 . . . A 42 ILE HA . 19452 1 300 . 1 1 34 34 ILE HB H 1 1.97 0.02 . 1 . . . A 42 ILE HB . 19452 1 301 . 1 1 34 34 ILE HG12 H 1 1.32 0.02 . 2 . . . A 42 ILE HG12 . 19452 1 302 . 1 1 34 34 ILE HG13 H 1 1.16 0.02 . 2 . . . A 42 ILE HG13 . 19452 1 303 . 1 1 34 34 ILE HG21 H 1 0.67 0.02 . 1 . . . A 42 ILE HG21 . 19452 1 304 . 1 1 34 34 ILE HG22 H 1 0.67 0.02 . 1 . . . A 42 ILE HG22 . 19452 1 305 . 1 1 34 34 ILE HG23 H 1 0.67 0.02 . 1 . . . A 42 ILE HG23 . 19452 1 306 . 1 1 34 34 ILE HD11 H 1 0.74 0.02 . 1 . . . A 42 ILE HD11 . 19452 1 307 . 1 1 34 34 ILE HD12 H 1 0.74 0.02 . 1 . . . A 42 ILE HD12 . 19452 1 308 . 1 1 34 34 ILE HD13 H 1 0.74 0.02 . 1 . . . A 42 ILE HD13 . 19452 1 309 . 1 1 34 34 ILE C C 13 175.5 0.2 . 1 . . . A 42 ILE C . 19452 1 310 . 1 1 34 34 ILE CA C 13 59.4 0.2 . 1 . . . A 42 ILE CA . 19452 1 311 . 1 1 34 34 ILE CB C 13 37.5 0.2 . 1 . . . A 42 ILE CB . 19452 1 312 . 1 1 34 34 ILE CG1 C 13 27.3 0.2 . 1 . . . A 42 ILE CG1 . 19452 1 313 . 1 1 34 34 ILE CG2 C 13 17.2 0.2 . 1 . . . A 42 ILE CG2 . 19452 1 314 . 1 1 34 34 ILE CD1 C 13 10.8 0.2 . 1 . . . A 42 ILE CD1 . 19452 1 315 . 1 1 34 34 ILE N N 15 120.7 0.2 . 1 . . . A 42 ILE N . 19452 1 316 . 1 1 35 35 LEU H H 1 8.10 0.02 . 1 . . . A 43 LEU H . 19452 1 317 . 1 1 35 35 LEU HA H 1 4.67 0.02 . 1 . . . A 43 LEU HA . 19452 1 318 . 1 1 35 35 LEU HB2 H 1 2.11 0.02 . 2 . . . A 43 LEU HB2 . 19452 1 319 . 1 1 35 35 LEU HB3 H 1 1.26 0.02 . 2 . . . A 43 LEU HB3 . 19452 1 320 . 1 1 35 35 LEU HD11 H 1 0.83 0.02 . 2 . . . A 43 LEU HD11 . 19452 1 321 . 1 1 35 35 LEU HD12 H 1 0.83 0.02 . 2 . . . A 43 LEU HD12 . 19452 1 322 . 1 1 35 35 LEU HD13 H 1 0.83 0.02 . 2 . . . A 43 LEU HD13 . 19452 1 323 . 1 1 35 35 LEU HD21 H 1 0.83 0.02 . 2 . . . A 43 LEU HD21 . 19452 1 324 . 1 1 35 35 LEU HD22 H 1 0.83 0.02 . 2 . . . A 43 LEU HD22 . 19452 1 325 . 1 1 35 35 LEU HD23 H 1 0.83 0.02 . 2 . . . A 43 LEU HD23 . 19452 1 326 . 1 1 35 35 LEU C C 13 173.7 0.2 . 1 . . . A 43 LEU C . 19452 1 327 . 1 1 35 35 LEU CA C 13 54.9 0.2 . 1 . . . A 43 LEU CA . 19452 1 328 . 1 1 35 35 LEU CB C 13 42.4 0.2 . 1 . . . A 43 LEU CB . 19452 1 329 . 1 1 35 35 LEU CG C 13 28.1 0.2 . 1 . . . A 43 LEU CG . 19452 1 330 . 1 1 35 35 LEU CD1 C 13 24.6 0.2 . 2 . . . A 43 LEU CD1 . 19452 1 331 . 1 1 35 35 LEU CD2 C 13 24.6 0.2 . 2 . . . A 43 LEU CD2 . 19452 1 332 . 1 1 35 35 LEU N N 15 128.4 0.2 . 1 . . . A 43 LEU N . 19452 1 333 . 1 1 36 36 ILE H H 1 9.32 0.02 . 1 . . . A 44 ILE H . 19452 1 334 . 1 1 36 36 ILE HA H 1 5.05 0.02 . 1 . . . A 44 ILE HA . 19452 1 335 . 1 1 36 36 ILE HB H 1 1.81 0.02 . 1 . . . A 44 ILE HB . 19452 1 336 . 1 1 36 36 ILE HG12 H 1 1.90 0.02 . 2 . . . A 44 ILE HG12 . 19452 1 337 . 1 1 36 36 ILE HG13 H 1 0.97 0.02 . 2 . . . A 44 ILE HG13 . 19452 1 338 . 1 1 36 36 ILE HG21 H 1 0.94 0.02 . 1 . . . A 44 ILE HG21 . 19452 1 339 . 1 1 36 36 ILE HG22 H 1 0.94 0.02 . 1 . . . A 44 ILE HG22 . 19452 1 340 . 1 1 36 36 ILE HG23 H 1 0.94 0.02 . 1 . . . A 44 ILE HG23 . 19452 1 341 . 1 1 36 36 ILE HD11 H 1 1.16 0.02 . 1 . . . A 44 ILE HD11 . 19452 1 342 . 1 1 36 36 ILE HD12 H 1 1.16 0.02 . 1 . . . A 44 ILE HD12 . 19452 1 343 . 1 1 36 36 ILE HD13 H 1 1.16 0.02 . 1 . . . A 44 ILE HD13 . 19452 1 344 . 1 1 36 36 ILE C C 13 175.8 0.2 . 1 . . . A 44 ILE C . 19452 1 345 . 1 1 36 36 ILE CA C 13 59.8 0.2 . 1 . . . A 44 ILE CA . 19452 1 346 . 1 1 36 36 ILE CB C 13 39.9 0.2 . 1 . . . A 44 ILE CB . 19452 1 347 . 1 1 36 36 ILE CG1 C 13 28.2 0.2 . 1 . . . A 44 ILE CG1 . 19452 1 348 . 1 1 36 36 ILE CG2 C 13 18.7 0.2 . 1 . . . A 44 ILE CG2 . 19452 1 349 . 1 1 36 36 ILE CD1 C 13 15.2 0.2 . 1 . . . A 44 ILE CD1 . 19452 1 350 . 1 1 36 36 ILE N N 15 128.8 0.2 . 1 . . . A 44 ILE N . 19452 1 351 . 1 1 37 37 LEU H H 1 9.40 0.02 . 1 . . . A 45 LEU H . 19452 1 352 . 1 1 37 37 LEU HA H 1 5.27 0.02 . 1 . . . A 45 LEU HA . 19452 1 353 . 1 1 37 37 LEU HB2 H 1 1.66 0.02 . 2 . . . A 45 LEU HB2 . 19452 1 354 . 1 1 37 37 LEU HB3 H 1 1.45 0.02 . 2 . . . A 45 LEU HB3 . 19452 1 355 . 1 1 37 37 LEU HG H 1 0.69 0.02 . 1 . . . A 45 LEU HG . 19452 1 356 . 1 1 37 37 LEU C C 13 175.5 0.2 . 1 . . . A 45 LEU C . 19452 1 357 . 1 1 37 37 LEU CA C 13 54.0 0.2 . 1 . . . A 45 LEU CA . 19452 1 358 . 1 1 37 37 LEU CB C 13 44.8 0.2 . 1 . . . A 45 LEU CB . 19452 1 359 . 1 1 37 37 LEU CG C 13 25.8 0.2 . 1 . . . A 45 LEU CG . 19452 1 360 . 1 1 37 37 LEU N N 15 129.6 0.2 . 1 . . . A 45 LEU N . 19452 1 361 . 1 1 38 38 VAL H H 1 9.44 0.02 . 1 . . . A 46 VAL H . 19452 1 362 . 1 1 38 38 VAL HA H 1 4.59 0.02 . 1 . . . A 46 VAL HA . 19452 1 363 . 1 1 38 38 VAL HB H 1 2.17 0.02 . 1 . . . A 46 VAL HB . 19452 1 364 . 1 1 38 38 VAL HG11 H 1 1.03 0.02 . 2 . . . A 46 VAL HG11 . 19452 1 365 . 1 1 38 38 VAL HG12 H 1 1.03 0.02 . 2 . . . A 46 VAL HG12 . 19452 1 366 . 1 1 38 38 VAL HG13 H 1 1.03 0.02 . 2 . . . A 46 VAL HG13 . 19452 1 367 . 1 1 38 38 VAL HG21 H 1 1.03 0.02 . 2 . . . A 46 VAL HG21 . 19452 1 368 . 1 1 38 38 VAL HG22 H 1 1.03 0.02 . 2 . . . A 46 VAL HG22 . 19452 1 369 . 1 1 38 38 VAL HG23 H 1 1.03 0.02 . 2 . . . A 46 VAL HG23 . 19452 1 370 . 1 1 38 38 VAL C C 13 174.0 0.2 . 1 . . . A 46 VAL C . 19452 1 371 . 1 1 38 38 VAL CA C 13 61.1 0.2 . 1 . . . A 46 VAL CA . 19452 1 372 . 1 1 38 38 VAL CB C 13 33.5 0.2 . 1 . . . A 46 VAL CB . 19452 1 373 . 1 1 38 38 VAL CG1 C 13 21.9 0.2 . 2 . . . A 46 VAL CG1 . 19452 1 374 . 1 1 38 38 VAL CG2 C 13 21.9 0.2 . 2 . . . A 46 VAL CG2 . 19452 1 375 . 1 1 38 38 VAL N N 15 120.1 0.2 . 1 . . . A 46 VAL N . 19452 1 376 . 1 1 39 39 ASP H H 1 9.24 0.02 . 1 . . . A 47 ASP H . 19452 1 377 . 1 1 39 39 ASP HA H 1 5.17 0.02 . 1 . . . A 47 ASP HA . 19452 1 378 . 1 1 39 39 ASP HB2 H 1 2.95 0.02 . 2 . . . A 47 ASP HB2 . 19452 1 379 . 1 1 39 39 ASP HB3 H 1 2.18 0.02 . 2 . . . A 47 ASP HB3 . 19452 1 380 . 1 1 39 39 ASP CA C 13 51.9 0.2 . 1 . . . A 47 ASP CA . 19452 1 381 . 1 1 39 39 ASP CB C 13 38.8 0.2 . 1 . . . A 47 ASP CB . 19452 1 382 . 1 1 39 39 ASP N N 15 125.6 0.2 . 1 . . . A 47 ASP N . 19452 1 383 . 1 1 40 40 PHE H H 1 8.86 0.2 . 1 . . . A 48 PHE H . 19452 1 384 . 1 1 40 40 PHE N N 15 119.6 0.2 . 1 . . . A 48 PHE N . 19452 1 385 . 1 1 53 53 PRO HA H 1 4.41 0.02 . 1 . . . A 61 PRO HA . 19452 1 386 . 1 1 53 53 PRO HB2 H 1 1.86 0.02 . 2 . . . A 61 PRO HB2 . 19452 1 387 . 1 1 53 53 PRO HB3 H 1 2.36 0.02 . 2 . . . A 61 PRO HB3 . 19452 1 388 . 1 1 53 53 PRO HG2 H 1 2.07 0.02 . 2 . . . A 61 PRO HG2 . 19452 1 389 . 1 1 53 53 PRO HG3 H 1 2.07 0.02 . 2 . . . A 61 PRO HG3 . 19452 1 390 . 1 1 53 53 PRO HD2 H 1 3.88 0.02 . 2 . . . A 61 PRO HD2 . 19452 1 391 . 1 1 53 53 PRO HD3 H 1 3.67 0.02 . 2 . . . A 61 PRO HD3 . 19452 1 392 . 1 1 53 53 PRO CA C 13 65.5 0.2 . 1 . . . A 61 PRO CA . 19452 1 393 . 1 1 53 53 PRO CB C 13 30.8 0.2 . 1 . . . A 61 PRO CB . 19452 1 394 . 1 1 53 53 PRO CG C 13 28.2 0.2 . 1 . . . A 61 PRO CG . 19452 1 395 . 1 1 53 53 PRO CD C 13 49.8 0.2 . 1 . . . A 61 PRO CD . 19452 1 396 . 1 1 54 54 GLN H H 1 7.08 0.02 . 1 . . . A 62 GLN H . 19452 1 397 . 1 1 54 54 GLN HA H 1 4.20 0.02 . 1 . . . A 62 GLN HA . 19452 1 398 . 1 1 54 54 GLN HB2 H 1 2.39 0.02 . 2 . . . A 62 GLN HB2 . 19452 1 399 . 1 1 54 54 GLN HB3 H 1 2.13 0.02 . 2 . . . A 62 GLN HB3 . 19452 1 400 . 1 1 54 54 GLN HG2 H 1 2.51 0.02 . 2 . . . A 62 GLN HG2 . 19452 1 401 . 1 1 54 54 GLN HG3 H 1 2.40 0.02 . 2 . . . A 62 GLN HG3 . 19452 1 402 . 1 1 54 54 GLN HE21 H 1 6.91 0.02 . 2 . . . A 62 GLN HE21 . 19452 1 403 . 1 1 54 54 GLN HE22 H 1 7.34 0.02 . 2 . . . A 62 GLN HE22 . 19452 1 404 . 1 1 54 54 GLN C C 13 179.4 0.2 . 1 . . . A 62 GLN C . 19452 1 405 . 1 1 54 54 GLN CA C 13 58.0 0.2 . 1 . . . A 62 GLN CA . 19452 1 406 . 1 1 54 54 GLN CB C 13 28.4 0.2 . 1 . . . A 62 GLN CB . 19452 1 407 . 1 1 54 54 GLN CG C 13 33.9 0.2 . 1 . . . A 62 GLN CG . 19452 1 408 . 1 1 54 54 GLN N N 15 115.3 0.2 . 1 . . . A 62 GLN N . 19452 1 409 . 1 1 54 54 GLN NE2 N 15 110.6 0.2 . 1 . . . A 62 GLN NE2 . 19452 1 410 . 1 1 55 55 LEU H H 1 8.15 0.02 . 1 . . . A 63 LEU H . 19452 1 411 . 1 1 55 55 LEU HA H 1 3.99 0.02 . 1 . . . A 63 LEU HA . 19452 1 412 . 1 1 55 55 LEU HB2 H 1 2.01 0.02 . 2 . . . A 63 LEU HB2 . 19452 1 413 . 1 1 55 55 LEU HB3 H 1 1.28 0.02 . 2 . . . A 63 LEU HB3 . 19452 1 414 . 1 1 55 55 LEU HD11 H 1 0.70 0.02 . 2 . . . A 63 LEU HD11 . 19452 1 415 . 1 1 55 55 LEU HD12 H 1 0.70 0.02 . 2 . . . A 63 LEU HD12 . 19452 1 416 . 1 1 55 55 LEU HD13 H 1 0.70 0.02 . 2 . . . A 63 LEU HD13 . 19452 1 417 . 1 1 55 55 LEU HD21 H 1 0.70 0.02 . 2 . . . A 63 LEU HD21 . 19452 1 418 . 1 1 55 55 LEU HD22 H 1 0.70 0.02 . 2 . . . A 63 LEU HD22 . 19452 1 419 . 1 1 55 55 LEU HD23 H 1 0.70 0.02 . 2 . . . A 63 LEU HD23 . 19452 1 420 . 1 1 55 55 LEU C C 13 178.7 0.2 . 1 . . . A 63 LEU C . 19452 1 421 . 1 1 55 55 LEU CA C 13 57.3 0.2 . 1 . . . A 63 LEU CA . 19452 1 422 . 1 1 55 55 LEU CB C 13 41.3 0.2 . 1 . . . A 63 LEU CB . 19452 1 423 . 1 1 55 55 LEU CG C 13 25.8 0.2 . 1 . . . A 63 LEU CG . 19452 1 424 . 1 1 55 55 LEU CD1 C 13 22.0 0.2 . 2 . . . A 63 LEU CD1 . 19452 1 425 . 1 1 55 55 LEU CD2 C 13 22.0 0.2 . 2 . . . A 63 LEU CD2 . 19452 1 426 . 1 1 55 55 LEU N N 15 120.0 0.2 . 1 . . . A 63 LEU N . 19452 1 427 . 1 1 56 56 GLU H H 1 8.15 0.02 . 1 . . . A 64 GLU H . 19452 1 428 . 1 1 56 56 GLU HA H 1 3.84 0.02 . 1 . . . A 64 GLU HA . 19452 1 429 . 1 1 56 56 GLU HB2 H 1 2.06 0.02 . 2 . . . A 64 GLU HB2 . 19452 1 430 . 1 1 56 56 GLU HB3 H 1 2.06 0.02 . 2 . . . A 64 GLU HB3 . 19452 1 431 . 1 1 56 56 GLU HG2 H 1 2.37 0.02 . 2 . . . A 64 GLU HG2 . 19452 1 432 . 1 1 56 56 GLU HG3 H 1 2.23 0.02 . 2 . . . A 64 GLU HG3 . 19452 1 433 . 1 1 56 56 GLU C C 13 179.1 0.2 . 1 . . . A 64 GLU C . 19452 1 434 . 1 1 56 56 GLU CA C 13 59.5 0.2 . 1 . . . A 64 GLU CA . 19452 1 435 . 1 1 56 56 GLU CB C 13 29.0 0.2 . 1 . . . A 64 GLU CB . 19452 1 436 . 1 1 56 56 GLU CG C 13 35.7 0.2 . 1 . . . A 64 GLU CG . 19452 1 437 . 1 1 56 56 GLU N N 15 118.9 0.2 . 1 . . . A 64 GLU N . 19452 1 438 . 1 1 57 57 LYS H H 1 7.16 0.02 . 1 . . . A 65 LYS H . 19452 1 439 . 1 1 57 57 LYS HA H 1 4.07 0.02 . 1 . . . A 65 LYS HA . 19452 1 440 . 1 1 57 57 LYS HB2 H 1 1.96 0.02 . 2 . . . A 65 LYS HB2 . 19452 1 441 . 1 1 57 57 LYS HB3 H 1 1.96 0.02 . 2 . . . A 65 LYS HB3 . 19452 1 442 . 1 1 57 57 LYS HG2 H 1 1.73 0.02 . 2 . . . A 65 LYS HG2 . 19452 1 443 . 1 1 57 57 LYS HG3 H 1 1.73 0.02 . 2 . . . A 65 LYS HG3 . 19452 1 444 . 1 1 57 57 LYS HD2 H 1 1.62 0.02 . 2 . . . A 65 LYS HD2 . 19452 1 445 . 1 1 57 57 LYS HD3 H 1 1.49 0.02 . 2 . . . A 65 LYS HD3 . 19452 1 446 . 1 1 57 57 LYS HE2 H 1 2.99 0.02 . 2 . . . A 65 LYS HE2 . 19452 1 447 . 1 1 57 57 LYS HE3 H 1 2.99 0.02 . 2 . . . A 65 LYS HE3 . 19452 1 448 . 1 1 57 57 LYS C C 13 179.8 0.2 . 1 . . . A 65 LYS C . 19452 1 449 . 1 1 57 57 LYS CA C 13 59.0 0.2 . 1 . . . A 65 LYS CA . 19452 1 450 . 1 1 57 57 LYS CB C 13 31.9 0.2 . 1 . . . A 65 LYS CB . 19452 1 451 . 1 1 57 57 LYS CG C 13 29.1 0.2 . 1 . . . A 65 LYS CG . 19452 1 452 . 1 1 57 57 LYS CD C 13 24.9 0.2 . 1 . . . A 65 LYS CD . 19452 1 453 . 1 1 57 57 LYS CE C 13 42.3 0.2 . 1 . . . A 65 LYS CE . 19452 1 454 . 1 1 57 57 LYS N N 15 117.0 0.2 . 1 . . . A 65 LYS N . 19452 1 455 . 1 1 58 58 LEU H H 1 7.65 0.02 . 1 . . . A 66 LEU H . 19452 1 456 . 1 1 58 58 LEU HA H 1 4.20 0.02 . 1 . . . A 66 LEU HA . 19452 1 457 . 1 1 58 58 LEU HB2 H 1 1.98 0.02 . 2 . . . A 66 LEU HB2 . 19452 1 458 . 1 1 58 58 LEU HB3 H 1 1.43 0.02 . 2 . . . A 66 LEU HB3 . 19452 1 459 . 1 1 58 58 LEU HG H 1 1.94 0.02 . 1 . . . A 66 LEU HG . 19452 1 460 . 1 1 58 58 LEU HD11 H 1 0.90 0.02 . 2 . . . A 66 LEU HD11 . 19452 1 461 . 1 1 58 58 LEU HD12 H 1 0.90 0.02 . 2 . . . A 66 LEU HD12 . 19452 1 462 . 1 1 58 58 LEU HD13 H 1 0.90 0.02 . 2 . . . A 66 LEU HD13 . 19452 1 463 . 1 1 58 58 LEU HD21 H 1 0.90 0.02 . 2 . . . A 66 LEU HD21 . 19452 1 464 . 1 1 58 58 LEU HD22 H 1 0.90 0.02 . 2 . . . A 66 LEU HD22 . 19452 1 465 . 1 1 58 58 LEU HD23 H 1 0.90 0.02 . 2 . . . A 66 LEU HD23 . 19452 1 466 . 1 1 58 58 LEU C C 13 178.7 0.2 . 1 . . . A 66 LEU C . 19452 1 467 . 1 1 58 58 LEU CA C 13 57.7 0.2 . 1 . . . A 66 LEU CA . 19452 1 468 . 1 1 58 58 LEU CB C 13 41.7 0.2 . 1 . . . A 66 LEU CB . 19452 1 469 . 1 1 58 58 LEU CG C 13 26.3 0.2 . 1 . . . A 66 LEU CG . 19452 1 470 . 1 1 58 58 LEU CD1 C 13 23.4 0.2 . 2 . . . A 66 LEU CD1 . 19452 1 471 . 1 1 58 58 LEU CD2 C 13 23.4 0.2 . 2 . . . A 66 LEU CD2 . 19452 1 472 . 1 1 58 58 LEU N N 15 119.9 0.2 . 1 . . . A 66 LEU N . 19452 1 473 . 1 1 59 59 ALA H H 1 8.44 0.02 . 1 . . . A 67 ALA H . 19452 1 474 . 1 1 59 59 ALA HA H 1 3.86 0.02 . 1 . . . A 67 ALA HA . 19452 1 475 . 1 1 59 59 ALA HB1 H 1 1.44 0.02 . 1 . . . A 67 ALA HB1 . 19452 1 476 . 1 1 59 59 ALA HB2 H 1 1.44 0.02 . 1 . . . A 67 ALA HB2 . 19452 1 477 . 1 1 59 59 ALA HB3 H 1 1.44 0.02 . 1 . . . A 67 ALA HB3 . 19452 1 478 . 1 1 59 59 ALA C C 13 180.0 0.2 . 1 . . . A 67 ALA C . 19452 1 479 . 1 1 59 59 ALA CA C 13 54.6 0.2 . 1 . . . A 67 ALA CA . 19452 1 480 . 1 1 59 59 ALA CB C 13 18.0 0.2 . 1 . . . A 67 ALA CB . 19452 1 481 . 1 1 59 59 ALA N N 15 120.7 0.2 . 1 . . . A 67 ALA N . 19452 1 482 . 1 1 60 60 GLN H H 1 7.34 0.02 . 1 . . . A 68 GLN H . 19452 1 483 . 1 1 60 60 GLN HA H 1 4.06 0.02 . 1 . . . A 68 GLN HA . 19452 1 484 . 1 1 60 60 GLN HB2 H 1 2.18 0.02 . 2 . . . A 68 GLN HB2 . 19452 1 485 . 1 1 60 60 GLN HB3 H 1 2.18 0.02 . 2 . . . A 68 GLN HB3 . 19452 1 486 . 1 1 60 60 GLN HG2 H 1 2.60 0.02 . 2 . . . A 68 GLN HG2 . 19452 1 487 . 1 1 60 60 GLN HG3 H 1 2.43 0.02 . 2 . . . A 68 GLN HG3 . 19452 1 488 . 1 1 60 60 GLN HE21 H 1 6.85 0.02 . 2 . . . A 68 GLN HE21 . 19452 1 489 . 1 1 60 60 GLN HE22 H 1 7.54 0.02 . 2 . . . A 68 GLN HE22 . 19452 1 490 . 1 1 60 60 GLN C C 13 177.8 0.2 . 1 . . . A 68 GLN C . 19452 1 491 . 1 1 60 60 GLN CA C 13 57.5 0.2 . 1 . . . A 68 GLN CA . 19452 1 492 . 1 1 60 60 GLN CB C 13 28.8 0.2 . 1 . . . A 68 GLN CB . 19452 1 493 . 1 1 60 60 GLN CG C 13 33.8 0.2 . 1 . . . A 68 GLN CG . 19452 1 494 . 1 1 60 60 GLN N N 15 113.1 0.2 . 1 . . . A 68 GLN N . 19452 1 495 . 1 1 60 60 GLN NE2 N 15 111.7 0.2 . 1 . . . A 68 GLN NE2 . 19452 1 496 . 1 1 61 61 GLN H H 1 7.94 0.02 . 1 . . . A 69 GLN H . 19452 1 497 . 1 1 61 61 GLN HA H 1 4.03 0.02 . 1 . . . A 69 GLN HA . 19452 1 498 . 1 1 61 61 GLN HB2 H 1 2.05 0.02 . 2 . . . A 69 GLN HB2 . 19452 1 499 . 1 1 61 61 GLN HB3 H 1 1.81 0.02 . 2 . . . A 69 GLN HB3 . 19452 1 500 . 1 1 61 61 GLN HG2 H 1 2.16 0.02 . 2 . . . A 69 GLN HG2 . 19452 1 501 . 1 1 61 61 GLN HG3 H 1 1.77 0.02 . 2 . . . A 69 GLN HG3 . 19452 1 502 . 1 1 61 61 GLN HE21 H 1 6.56 0.02 . 2 . . . A 69 GLN HE21 . 19452 1 503 . 1 1 61 61 GLN HE22 H 1 7.11 0.02 . 2 . . . A 69 GLN HE22 . 19452 1 504 . 1 1 61 61 GLN C C 13 177.3 0.2 . 1 . . . A 69 GLN C . 19452 1 505 . 1 1 61 61 GLN CA C 13 57.8 0.2 . 1 . . . A 69 GLN CA . 19452 1 506 . 1 1 61 61 GLN CB C 13 29.0 0.2 . 1 . . . A 69 GLN CB . 19452 1 507 . 1 1 61 61 GLN CG C 13 32.9 0.2 . 1 . . . A 69 GLN CG . 19452 1 508 . 1 1 61 61 GLN N N 15 119.3 0.2 . 1 . . . A 69 GLN N . 19452 1 509 . 1 1 61 61 GLN NE2 N 15 109.6 0.2 . 1 . . . A 69 GLN NE2 . 19452 1 510 . 1 1 62 62 TYR H H 1 7.95 0.02 . 1 . . . A 70 TYR H . 19452 1 511 . 1 1 62 62 TYR HA H 1 4.98 0.02 . 1 . . . A 70 TYR HA . 19452 1 512 . 1 1 62 62 TYR HB2 H 1 3.42 0.02 . 2 . . . A 70 TYR HB2 . 19452 1 513 . 1 1 62 62 TYR HB3 H 1 2.52 0.02 . 2 . . . A 70 TYR HB3 . 19452 1 514 . 1 1 62 62 TYR HD1 H 1 7.26 0.02 . 3 . . . A 70 TYR HD1 . 19452 1 515 . 1 1 62 62 TYR HD2 H 1 7.26 0.02 . 3 . . . A 70 TYR HD2 . 19452 1 516 . 1 1 62 62 TYR HE1 H 1 6.70 0.02 . 3 . . . A 70 TYR HE1 . 19452 1 517 . 1 1 62 62 TYR HE2 H 1 6.70 0.02 . 3 . . . A 70 TYR HE2 . 19452 1 518 . 1 1 62 62 TYR C C 13 175.8 0.2 . 1 . . . A 70 TYR C . 19452 1 519 . 1 1 62 62 TYR CA C 13 57.1 0.2 . 1 . . . A 70 TYR CA . 19452 1 520 . 1 1 62 62 TYR CB C 13 37.9 0.2 . 1 . . . A 70 TYR CB . 19452 1 521 . 1 1 62 62 TYR CD1 C 13 133.2 0.2 . 3 . . . A 70 TYR CD1 . 19452 1 522 . 1 1 62 62 TYR CD2 C 13 133.2 0.2 . 3 . . . A 70 TYR CD2 . 19452 1 523 . 1 1 62 62 TYR CE1 C 13 118.2 0.2 . 3 . . . A 70 TYR CE1 . 19452 1 524 . 1 1 62 62 TYR CE2 C 13 118.2 0.2 . 3 . . . A 70 TYR CE2 . 19452 1 525 . 1 1 62 62 TYR N N 15 117.3 0.2 . 1 . . . A 70 TYR N . 19452 1 526 . 1 1 63 63 THR H H 1 7.11 0.02 . 1 . . . A 71 THR H . 19452 1 527 . 1 1 63 63 THR HA H 1 4.19 0.02 . 1 . . . A 71 THR HA . 19452 1 528 . 1 1 63 63 THR HB H 1 4.36 0.02 . 1 . . . A 71 THR HB . 19452 1 529 . 1 1 63 63 THR HG21 H 1 1.33 0.02 . 1 . . . A 71 THR HG21 . 19452 1 530 . 1 1 63 63 THR HG22 H 1 1.33 0.02 . 1 . . . A 71 THR HG22 . 19452 1 531 . 1 1 63 63 THR HG23 H 1 1.33 0.02 . 1 . . . A 71 THR HG23 . 19452 1 532 . 1 1 63 63 THR C C 13 175.7 0.2 . 1 . . . A 71 THR C . 19452 1 533 . 1 1 63 63 THR CA C 13 64.6 0.2 . 1 . . . A 71 THR CA . 19452 1 534 . 1 1 63 63 THR CB C 13 69.2 0.2 . 1 . . . A 71 THR CB . 19452 1 535 . 1 1 63 63 THR CG2 C 13 21.5 0.2 . 1 . . . A 71 THR CG2 . 19452 1 536 . 1 1 63 63 THR N N 15 111.9 0.2 . 1 . . . A 71 THR N . 19452 1 537 . 1 1 64 64 GLU H H 1 8.61 0.02 . 1 . . . A 72 GLU H . 19452 1 538 . 1 1 64 64 GLU HA H 1 4.30 0.02 . 1 . . . A 72 GLU HA . 19452 1 539 . 1 1 64 64 GLU HB2 H 1 2.09 0.02 . 2 . . . A 72 GLU HB2 . 19452 1 540 . 1 1 64 64 GLU HB3 H 1 2.02 0.02 . 2 . . . A 72 GLU HB3 . 19452 1 541 . 1 1 64 64 GLU HG2 H 1 2.34 0.02 . 2 . . . A 72 GLU HG2 . 19452 1 542 . 1 1 64 64 GLU HG3 H 1 2.29 0.02 . 2 . . . A 72 GLU HG3 . 19452 1 543 . 1 1 64 64 GLU C C 13 177.4 0.2 . 1 . . . A 72 GLU C . 19452 1 544 . 1 1 64 64 GLU CA C 13 58.0 0.2 . 1 . . . A 72 GLU CA . 19452 1 545 . 1 1 64 64 GLU CB C 13 30.1 0.2 . 1 . . . A 72 GLU CB . 19452 1 546 . 1 1 64 64 GLU CG C 13 36.6 0.2 . 1 . . . A 72 GLU CG . 19452 1 547 . 1 1 64 64 GLU N N 15 117.5 0.2 . 1 . . . A 72 GLU N . 19452 1 548 . 1 1 65 65 ASN H H 1 8.05 0.02 . 1 . . . A 73 ASN H . 19452 1 549 . 1 1 65 65 ASN HA H 1 4.99 0.02 . 1 . . . A 73 ASN HA . 19452 1 550 . 1 1 65 65 ASN HB2 H 1 3.02 0.02 . 2 . . . A 73 ASN HB2 . 19452 1 551 . 1 1 65 65 ASN HB3 H 1 2.83 0.02 . 2 . . . A 73 ASN HB3 . 19452 1 552 . 1 1 65 65 ASN HD21 H 1 7.00 0.02 . 2 . . . A 73 ASN HD21 . 19452 1 553 . 1 1 65 65 ASN HD22 H 1 7.84 0.02 . 2 . . . A 73 ASN HD22 . 19452 1 554 . 1 1 65 65 ASN C C 13 173.6 0.2 . 1 . . . A 73 ASN C . 19452 1 555 . 1 1 65 65 ASN CA C 13 54.0 0.2 . 1 . . . A 73 ASN CA . 19452 1 556 . 1 1 65 65 ASN CB C 13 41.1 0.2 . 1 . . . A 73 ASN CB . 19452 1 557 . 1 1 65 65 ASN N N 15 113.3 0.2 . 1 . . . A 73 ASN N . 19452 1 558 . 1 1 65 65 ASN ND2 N 15 111.4 0.2 . 1 . . . A 73 ASN ND2 . 19452 1 559 . 1 1 66 66 VAL H H 1 7.89 0.02 . 1 . . . A 74 VAL H . 19452 1 560 . 1 1 66 66 VAL HA H 1 5.54 0.02 . 1 . . . A 74 VAL HA . 19452 1 561 . 1 1 66 66 VAL HB H 1 2.12 0.02 . 1 . . . A 74 VAL HB . 19452 1 562 . 1 1 66 66 VAL HG11 H 1 0.78 0.02 . 2 . . . A 74 VAL HG11 . 19452 1 563 . 1 1 66 66 VAL HG12 H 1 0.78 0.02 . 2 . . . A 74 VAL HG12 . 19452 1 564 . 1 1 66 66 VAL HG13 H 1 0.78 0.02 . 2 . . . A 74 VAL HG13 . 19452 1 565 . 1 1 66 66 VAL HG21 H 1 0.72 0.02 . 2 . . . A 74 VAL HG21 . 19452 1 566 . 1 1 66 66 VAL HG22 H 1 0.72 0.02 . 2 . . . A 74 VAL HG22 . 19452 1 567 . 1 1 66 66 VAL HG23 H 1 0.72 0.02 . 2 . . . A 74 VAL HG23 . 19452 1 568 . 1 1 66 66 VAL C C 13 174.9 0.2 . 1 . . . A 74 VAL C . 19452 1 569 . 1 1 66 66 VAL CA C 13 59.9 0.2 . 1 . . . A 74 VAL CA . 19452 1 570 . 1 1 66 66 VAL CB C 13 35.7 0.2 . 1 . . . A 74 VAL CB . 19452 1 571 . 1 1 66 66 VAL CG1 C 13 22.7 0.2 . 2 . . . A 74 VAL CG1 . 19452 1 572 . 1 1 66 66 VAL CG2 C 13 21.4 0.2 . 2 . . . A 74 VAL CG2 . 19452 1 573 . 1 1 66 66 VAL N N 15 119.2 0.2 . 1 . . . A 74 VAL N . 19452 1 574 . 1 1 67 67 LYS H H 1 8.70 0.02 . 1 . . . A 75 LYS H . 19452 1 575 . 1 1 67 67 LYS HA H 1 4.56 0.02 . 1 . . . A 75 LYS HA . 19452 1 576 . 1 1 67 67 LYS HB2 H 1 1.53 0.02 . 2 . . . A 75 LYS HB2 . 19452 1 577 . 1 1 67 67 LYS HB3 H 1 1.49 0.02 . 2 . . . A 75 LYS HB3 . 19452 1 578 . 1 1 67 67 LYS HG2 H 1 1.65 0.02 . 2 . . . A 75 LYS HG2 . 19452 1 579 . 1 1 67 67 LYS HG3 H 1 1.61 0.02 . 2 . . . A 75 LYS HG3 . 19452 1 580 . 1 1 67 67 LYS HD2 H 1 1.19 0.02 . 2 . . . A 75 LYS HD2 . 19452 1 581 . 1 1 67 67 LYS HD3 H 1 0.83 0.02 . 2 . . . A 75 LYS HD3 . 19452 1 582 . 1 1 67 67 LYS HE2 H 1 2.88 0.02 . 2 . . . A 75 LYS HE2 . 19452 1 583 . 1 1 67 67 LYS HE3 H 1 2.66 0.02 . 2 . . . A 75 LYS HE3 . 19452 1 584 . 1 1 67 67 LYS C C 13 173.6 0.2 . 1 . . . A 75 LYS C . 19452 1 585 . 1 1 67 67 LYS CA C 13 54.1 0.2 . 1 . . . A 75 LYS CA . 19452 1 586 . 1 1 67 67 LYS CB C 13 36.2 0.2 . 1 . . . A 75 LYS CB . 19452 1 587 . 1 1 67 67 LYS CG C 13 28.3 0.2 . 1 . . . A 75 LYS CG . 19452 1 588 . 1 1 67 67 LYS CD C 13 24.45 0.2 . 1 . . . A 75 LYS CD . 19452 1 589 . 1 1 67 67 LYS N N 15 127.6 0.2 . 1 . . . A 75 LYS N . 19452 1 590 . 1 1 68 68 ILE H H 1 8.77 0.02 . 1 . . . A 76 ILE H . 19452 1 591 . 1 1 68 68 ILE HA H 1 4.58 0.02 . 1 . . . A 76 ILE HA . 19452 1 592 . 1 1 68 68 ILE HB H 1 1.65 0.02 . 1 . . . A 76 ILE HB . 19452 1 593 . 1 1 68 68 ILE HG12 H 1 1.47 0.02 . 2 . . . A 76 ILE HG12 . 19452 1 594 . 1 1 68 68 ILE HG13 H 1 1.31 0.02 . 2 . . . A 76 ILE HG13 . 19452 1 595 . 1 1 68 68 ILE HG21 H 1 0.75 0.02 . 1 . . . A 76 ILE HG21 . 19452 1 596 . 1 1 68 68 ILE HG22 H 1 0.75 0.02 . 1 . . . A 76 ILE HG22 . 19452 1 597 . 1 1 68 68 ILE HG23 H 1 0.75 0.02 . 1 . . . A 76 ILE HG23 . 19452 1 598 . 1 1 68 68 ILE HD11 H 1 0.71 0.02 . 1 . . . A 76 ILE HD11 . 19452 1 599 . 1 1 68 68 ILE HD12 H 1 0.71 0.02 . 1 . . . A 76 ILE HD12 . 19452 1 600 . 1 1 68 68 ILE HD13 H 1 0.71 0.02 . 1 . . . A 76 ILE HD13 . 19452 1 601 . 1 1 68 68 ILE C C 13 173.9 0.2 . 1 . . . A 76 ILE C . 19452 1 602 . 1 1 68 68 ILE CA C 13 60.5 0.2 . 1 . . . A 76 ILE CA . 19452 1 603 . 1 1 68 68 ILE CB C 13 38.5 0.2 . 1 . . . A 76 ILE CB . 19452 1 604 . 1 1 68 68 ILE CG1 C 13 27.5 0.2 . 1 . . . A 76 ILE CG1 . 19452 1 605 . 1 1 68 68 ILE CG2 C 13 16.6 0.2 . 1 . . . A 76 ILE CG2 . 19452 1 606 . 1 1 68 68 ILE CD1 C 13 13.8 0.2 . 1 . . . A 76 ILE CD1 . 19452 1 607 . 1 1 68 68 ILE N N 15 123.2 0.2 . 1 . . . A 76 ILE N . 19452 1 608 . 1 1 69 69 TYR H H 1 9.06 0.02 . 1 . . . A 77 TYR H . 19452 1 609 . 1 1 69 69 TYR HA H 1 5.66 0.02 . 1 . . . A 77 TYR HA . 19452 1 610 . 1 1 69 69 TYR HB2 H 1 2.97 0.02 . 2 . . . A 77 TYR HB2 . 19452 1 611 . 1 1 69 69 TYR HB3 H 1 2.39 0.02 . 2 . . . A 77 TYR HB3 . 19452 1 612 . 1 1 69 69 TYR HD1 H 1 6.88 0.02 . 3 . . . A 77 TYR HD1 . 19452 1 613 . 1 1 69 69 TYR HD2 H 1 6.88 0.02 . 3 . . . A 77 TYR HD2 . 19452 1 614 . 1 1 69 69 TYR HE1 H 1 6.61 0.02 . 3 . . . A 77 TYR HE1 . 19452 1 615 . 1 1 69 69 TYR HE2 H 1 6.61 0.02 . 3 . . . A 77 TYR HE2 . 19452 1 616 . 1 1 69 69 TYR CA C 13 55.6 0.2 . 1 . . . A 77 TYR CA . 19452 1 617 . 1 1 69 69 TYR CB C 13 43.4 0.2 . 1 . . . A 77 TYR CB . 19452 1 618 . 1 1 69 69 TYR CD1 C 13 133.0 0.2 . 3 . . . A 77 TYR CD1 . 19452 1 619 . 1 1 69 69 TYR CD2 C 13 133.0 0.2 . 3 . . . A 77 TYR CD2 . 19452 1 620 . 1 1 69 69 TYR CE1 C 13 117.5 0.2 . 3 . . . A 77 TYR CE1 . 19452 1 621 . 1 1 69 69 TYR CE2 C 13 117.5 0.2 . 3 . . . A 77 TYR CE2 . 19452 1 622 . 1 1 69 69 TYR N N 15 124.4 0.2 . 1 . . . A 77 TYR N . 19452 1 623 . 1 1 72 72 ASN HB2 H 1 3.13 0.02 . 2 . . . A 80 ASN HB2 . 19452 1 624 . 1 1 72 72 ASN HB3 H 1 3.13 0.02 . 2 . . . A 80 ASN HB3 . 19452 1 625 . 1 1 72 72 ASN HD21 H 1 6.97 0.02 . 2 . . . A 80 ASN HD21 . 19452 1 626 . 1 1 72 72 ASN HD22 H 1 7.71 0.02 . 2 . . . A 80 ASN HD22 . 19452 1 627 . 1 1 72 72 ASN ND2 N 15 114.3 0.2 . 1 . . . A 80 ASN ND2 . 19452 1 628 . 1 1 73 73 ILE C C 13 177.4 0.2 . 1 . . . A 81 ILE C . 19452 1 629 . 1 1 73 73 ILE CA C 13 62.6 0.2 . 1 . . . A 81 ILE CA . 19452 1 630 . 1 1 74 74 GLU H H 1 8.56 0.02 . 1 . . . A 82 GLU H . 19452 1 631 . 1 1 74 74 GLU HA H 1 4.28 0.02 . 1 . . . A 82 GLU HA . 19452 1 632 . 1 1 74 74 GLU HB2 H 1 2.44 0.02 . 2 . . . A 82 GLU HB2 . 19452 1 633 . 1 1 74 74 GLU HB3 H 1 2.28 0.02 . 2 . . . A 82 GLU HB3 . 19452 1 634 . 1 1 74 74 GLU HG2 H 1 2.03 0.02 . 2 . . . A 82 GLU HG2 . 19452 1 635 . 1 1 74 74 GLU HG3 H 1 2.03 0.02 . 2 . . . A 82 GLU HG3 . 19452 1 636 . 1 1 74 74 GLU C C 13 177.8 0.2 . 1 . . . A 82 GLU C . 19452 1 637 . 1 1 74 74 GLU CA C 13 58.9 0.2 . 1 . . . A 82 GLU CA . 19452 1 638 . 1 1 74 74 GLU CB C 13 29.7 0.2 . 1 . . . A 82 GLU CB . 19452 1 639 . 1 1 74 74 GLU CG C 13 37.3 0.2 . 1 . . . A 82 GLU CG . 19452 1 640 . 1 1 74 74 GLU N N 15 121.8 0.2 . 1 . . . A 82 GLU N . 19452 1 641 . 1 1 75 75 ASP H H 1 6.84 0.02 . 1 . . . A 83 ASP H . 19452 1 642 . 1 1 75 75 ASP HB2 H 1 2.81 0.02 . 2 . . . A 83 ASP HB2 . 19452 1 643 . 1 1 75 75 ASP HB3 H 1 2.45 0.02 . 2 . . . A 83 ASP HB3 . 19452 1 644 . 1 1 75 75 ASP C C 13 175.8 0.2 . 1 . . . A 83 ASP C . 19452 1 645 . 1 1 75 75 ASP CA C 13 54.0 0.2 . 1 . . . A 83 ASP CA . 19452 1 646 . 1 1 75 75 ASP CB C 13 42.8 0.2 . 1 . . . A 83 ASP CB . 19452 1 647 . 1 1 75 75 ASP N N 15 114.2 0.2 . 1 . . . A 83 ASP N . 19452 1 648 . 1 1 76 76 ASN H H 1 7.60 0.02 . 1 . . . A 84 ASN H . 19452 1 649 . 1 1 76 76 ASN HA H 1 5.02 0.02 . 1 . . . A 84 ASN HA . 19452 1 650 . 1 1 76 76 ASN HB2 H 1 2.69 0.02 . 2 . . . A 84 ASN HB2 . 19452 1 651 . 1 1 76 76 ASN HB3 H 1 2.62 0.02 . 2 . . . A 84 ASN HB3 . 19452 1 652 . 1 1 76 76 ASN C C 13 174.0 0.2 . 1 . . . A 84 ASN C . 19452 1 653 . 1 1 76 76 ASN CA C 13 53.7 0.2 . 1 . . . A 84 ASN CA . 19452 1 654 . 1 1 76 76 ASN CB C 13 41.6 0.2 . 1 . . . A 84 ASN CB . 19452 1 655 . 1 1 76 76 ASN N N 15 118.4 0.2 . 1 . . . A 84 ASN N . 19452 1 656 . 1 1 77 77 GLN H H 1 9.04 0.02 . 1 . . . A 85 GLN H . 19452 1 657 . 1 1 77 77 GLN HA H 1 4.74 0.02 . 1 . . . A 85 GLN HA . 19452 1 658 . 1 1 77 77 GLN HB2 H 1 2.28 0.02 . 2 . . . A 85 GLN HB2 . 19452 1 659 . 1 1 77 77 GLN HB3 H 1 2.05 0.02 . 2 . . . A 85 GLN HB3 . 19452 1 660 . 1 1 77 77 GLN HG2 H 1 2.48 0.02 . 2 . . . A 85 GLN HG2 . 19452 1 661 . 1 1 77 77 GLN HG3 H 1 2.38 0.02 . 2 . . . A 85 GLN HG3 . 19452 1 662 . 1 1 77 77 GLN HE21 H 1 6.71 0.02 . 2 . . . A 85 GLN HE21 . 19452 1 663 . 1 1 77 77 GLN HE22 H 1 7.47 0.02 . 2 . . . A 85 GLN HE22 . 19452 1 664 . 1 1 77 77 GLN C C 13 177.8 0.2 . 1 . . . A 85 GLN C . 19452 1 665 . 1 1 77 77 GLN CA C 13 56.4 0.2 . 1 . . . A 85 GLN CA . 19452 1 666 . 1 1 77 77 GLN CB C 13 30.6 0.2 . 1 . . . A 85 GLN CB . 19452 1 667 . 1 1 77 77 GLN CG C 13 34.1 0.2 . 1 . . . A 85 GLN CG . 19452 1 668 . 1 1 77 77 GLN N N 15 122.0 0.2 . 1 . . . A 85 GLN N . 19452 1 669 . 1 1 77 77 GLN NE2 N 15 112.3 0.2 . 1 . . . A 85 GLN NE2 . 19452 1 670 . 1 1 78 78 ASP H H 1 10.21 0.02 . 1 . . . A 86 ASP H . 19452 1 671 . 1 1 78 78 ASP HA H 1 4.41 0.02 . 1 . . . A 86 ASP HA . 19452 1 672 . 1 1 78 78 ASP HB2 H 1 2.61 0.02 . 2 . . . A 86 ASP HB2 . 19452 1 673 . 1 1 78 78 ASP HB3 H 1 2.61 0.02 . 2 . . . A 86 ASP HB3 . 19452 1 674 . 1 1 78 78 ASP C C 13 178.9 0.2 . 1 . . . A 86 ASP C . 19452 1 675 . 1 1 78 78 ASP CA C 13 58.7 0.2 . 1 . . . A 86 ASP CA . 19452 1 676 . 1 1 78 78 ASP CB C 13 40.0 0.2 . 1 . . . A 86 ASP CB . 19452 1 677 . 1 1 78 78 ASP N N 15 125.9 0.2 . 1 . . . A 86 ASP N . 19452 1 678 . 1 1 79 79 VAL H H 1 8.13 0.02 . 1 . . . A 87 VAL H . 19452 1 679 . 1 1 79 79 VAL HA H 1 3.49 0.02 . 1 . . . A 87 VAL HA . 19452 1 680 . 1 1 79 79 VAL HB H 1 1.91 0.02 . 1 . . . A 87 VAL HB . 19452 1 681 . 1 1 79 79 VAL HG11 H 1 0.74 0.02 . 2 . . . A 87 VAL HG11 . 19452 1 682 . 1 1 79 79 VAL HG12 H 1 0.74 0.02 . 2 . . . A 87 VAL HG12 . 19452 1 683 . 1 1 79 79 VAL HG13 H 1 0.74 0.02 . 2 . . . A 87 VAL HG13 . 19452 1 684 . 1 1 79 79 VAL HG21 H 1 0.17 0.02 . 2 . . . A 87 VAL HG21 . 19452 1 685 . 1 1 79 79 VAL HG22 H 1 0.17 0.02 . 2 . . . A 87 VAL HG22 . 19452 1 686 . 1 1 79 79 VAL HG23 H 1 0.17 0.02 . 2 . . . A 87 VAL HG23 . 19452 1 687 . 1 1 79 79 VAL C C 13 178.4 0.2 . 1 . . . A 87 VAL C . 19452 1 688 . 1 1 79 79 VAL CA C 13 66.5 0.2 . 1 . . . A 87 VAL CA . 19452 1 689 . 1 1 79 79 VAL CB C 13 30.5 0.2 . 1 . . . A 87 VAL CB . 19452 1 690 . 1 1 79 79 VAL CG1 C 13 23.5 0.2 . 2 . . . A 87 VAL CG1 . 19452 1 691 . 1 1 79 79 VAL CG2 C 13 20.4 0.2 . 2 . . . A 87 VAL CG2 . 19452 1 692 . 1 1 79 79 VAL N N 15 123.8 0.2 . 1 . . . A 87 VAL N . 19452 1 693 . 1 1 80 80 ALA H H 1 9.25 0.02 . 1 . . . A 88 ALA H . 19452 1 694 . 1 1 80 80 ALA HA H 1 3.51 0.02 . 1 . . . A 88 ALA HA . 19452 1 695 . 1 1 80 80 ALA HB1 H 1 1.37 0.02 . 1 . . . A 88 ALA HB1 . 19452 1 696 . 1 1 80 80 ALA HB2 H 1 1.37 0.02 . 1 . . . A 88 ALA HB2 . 19452 1 697 . 1 1 80 80 ALA HB3 H 1 1.37 0.02 . 1 . . . A 88 ALA HB3 . 19452 1 698 . 1 1 80 80 ALA C C 13 179.6 0.2 . 1 . . . A 88 ALA C . 19452 1 699 . 1 1 80 80 ALA CA C 13 54.9 0.2 . 1 . . . A 88 ALA CA . 19452 1 700 . 1 1 80 80 ALA CB C 13 17.3 0.2 . 1 . . . A 88 ALA CB . 19452 1 701 . 1 1 80 80 ALA N N 15 121.8 0.2 . 1 . . . A 88 ALA N . 19452 1 702 . 1 1 81 81 THR H H 1 7.99 0.02 . 1 . . . A 89 THR H . 19452 1 703 . 1 1 81 81 THR HA H 1 3.96 0.02 . 1 . . . A 89 THR HA . 19452 1 704 . 1 1 81 81 THR HB H 1 4.38 0.02 . 1 . . . A 89 THR HB . 19452 1 705 . 1 1 81 81 THR HG21 H 1 1.23 0.02 . 1 . . . A 89 THR HG21 . 19452 1 706 . 1 1 81 81 THR HG22 H 1 1.23 0.02 . 1 . . . A 89 THR HG22 . 19452 1 707 . 1 1 81 81 THR HG23 H 1 1.23 0.02 . 1 . . . A 89 THR HG23 . 19452 1 708 . 1 1 81 81 THR C C 13 177.7 0.2 . 1 . . . A 89 THR C . 19452 1 709 . 1 1 81 81 THR CA C 13 66.4 0.2 . 1 . . . A 89 THR CA . 19452 1 710 . 1 1 81 81 THR CB C 13 68.5 0.2 . 1 . . . A 89 THR CB . 19452 1 711 . 1 1 81 81 THR CG2 C 13 21.1 0.2 . 1 . . . A 89 THR CG2 . 19452 1 712 . 1 1 81 81 THR N N 15 113.2 0.2 . 1 . . . A 89 THR N . 19452 1 713 . 1 1 82 82 GLN H H 1 8.17 0.02 . 1 . . . A 90 GLN H . 19452 1 714 . 1 1 82 82 GLN HA H 1 3.85 0.02 . 1 . . . A 90 GLN HA . 19452 1 715 . 1 1 82 82 GLN HB2 H 1 2.07 0.02 . 2 . . . A 90 GLN HB2 . 19452 1 716 . 1 1 82 82 GLN HB3 H 1 1.92 0.02 . 2 . . . A 90 GLN HB3 . 19452 1 717 . 1 1 82 82 GLN HG2 H 1 2.14 0.02 . 2 . . . A 90 GLN HG2 . 19452 1 718 . 1 1 82 82 GLN HG3 H 1 1.82 0.02 . 2 . . . A 90 GLN HG3 . 19452 1 719 . 1 1 82 82 GLN C C 13 177.9 0.2 . 1 . . . A 90 GLN C . 19452 1 720 . 1 1 82 82 GLN CA C 13 58.9 0.2 . 1 . . . A 90 GLN CA . 19452 1 721 . 1 1 82 82 GLN CB C 13 28.0 0.2 . 1 . . . A 90 GLN CB . 19452 1 722 . 1 1 82 82 GLN CG C 13 33.2 0.02 . 1 . . . A 90 GLN CG . 19452 1 723 . 1 1 82 82 GLN N N 15 123.8 0.2 . 1 . . . A 90 GLN N . 19452 1 724 . 1 1 83 83 TYR H H 1 7.78 0.02 . 1 . . . A 91 TYR H . 19452 1 725 . 1 1 83 83 TYR HA H 1 4.43 0.02 . 1 . . . A 91 TYR HA . 19452 1 726 . 1 1 83 83 TYR HB2 H 1 3.33 0.02 . 2 . . . A 91 TYR HB2 . 19452 1 727 . 1 1 83 83 TYR HB3 H 1 2.33 0.02 . 2 . . . A 91 TYR HB3 . 19452 1 728 . 1 1 83 83 TYR HD1 H 1 7.31 0.02 . 3 . . . A 91 TYR HD1 . 19452 1 729 . 1 1 83 83 TYR HD2 H 1 7.31 0.02 . 3 . . . A 91 TYR HD2 . 19452 1 730 . 1 1 83 83 TYR HE1 H 1 6.85 0.02 . 3 . . . A 91 TYR HE1 . 19452 1 731 . 1 1 83 83 TYR HE2 H 1 6.85 0.02 . 3 . . . A 91 TYR HE2 . 19452 1 732 . 1 1 83 83 TYR C C 13 175.3 0.2 . 1 . . . A 91 TYR C . 19452 1 733 . 1 1 83 83 TYR CA C 13 59.0 0.2 . 1 . . . A 91 TYR CA . 19452 1 734 . 1 1 83 83 TYR CB C 13 38.5 0.2 . 1 . . . A 91 TYR CB . 19452 1 735 . 1 1 83 83 TYR CD1 C 13 133.0 0.2 . 3 . . . A 91 TYR CD1 . 19452 1 736 . 1 1 83 83 TYR CD2 C 13 133.0 0.2 . 3 . . . A 91 TYR CD2 . 19452 1 737 . 1 1 83 83 TYR CE1 C 13 118.1 0.2 . 3 . . . A 91 TYR CE1 . 19452 1 738 . 1 1 83 83 TYR CE2 C 13 118.1 0.2 . 3 . . . A 91 TYR CE2 . 19452 1 739 . 1 1 83 83 TYR N N 15 112.9 0.2 . 1 . . . A 91 TYR N . 19452 1 740 . 1 1 84 84 GLY H H 1 7.67 0.02 . 1 . . . A 92 GLY H . 19452 1 741 . 1 1 84 84 GLY HA2 H 1 3.86 0.02 . 2 . . . A 92 GLY HA2 . 19452 1 742 . 1 1 84 84 GLY HA3 H 1 3.86 0.02 . 2 . . . A 92 GLY HA3 . 19452 1 743 . 1 1 84 84 GLY C C 13 175.3 0.2 . 1 . . . A 92 GLY C . 19452 1 744 . 1 1 84 84 GLY CA C 13 47.1 0.2 . 1 . . . A 92 GLY CA . 19452 1 745 . 1 1 84 84 GLY N N 15 110.2 0.2 . 1 . . . A 92 GLY N . 19452 1 746 . 1 1 85 85 VAL H H 1 8.50 0.02 . 1 . . . A 93 VAL H . 19452 1 747 . 1 1 85 85 VAL HA H 1 3.87 0.02 . 1 . . . A 93 VAL HA . 19452 1 748 . 1 1 85 85 VAL HB H 1 1.54 0.02 . 1 . . . A 93 VAL HB . 19452 1 749 . 1 1 85 85 VAL HG11 H 1 0.52 0.02 . 2 . . . A 93 VAL HG11 . 19452 1 750 . 1 1 85 85 VAL HG12 H 1 0.52 0.02 . 2 . . . A 93 VAL HG12 . 19452 1 751 . 1 1 85 85 VAL HG13 H 1 0.52 0.02 . 2 . . . A 93 VAL HG13 . 19452 1 752 . 1 1 85 85 VAL HG21 H 1 2.12 0.02 . 2 . . . A 93 VAL HG21 . 19452 1 753 . 1 1 85 85 VAL HG22 H 1 2.12 0.02 . 2 . . . A 93 VAL HG22 . 19452 1 754 . 1 1 85 85 VAL HG23 H 1 2.12 0.02 . 2 . . . A 93 VAL HG23 . 19452 1 755 . 1 1 85 85 VAL CA C 13 63.0 0.2 . 1 . . . A 93 VAL CA . 19452 1 756 . 1 1 85 85 VAL CB C 13 30.5 0.2 . 1 . . . A 93 VAL CB . 19452 1 757 . 1 1 85 85 VAL CG1 C 13 20.0 0.2 . 2 . . . A 93 VAL CG1 . 19452 1 758 . 1 1 85 85 VAL CG2 C 13 20.3 0.2 . 2 . . . A 93 VAL CG2 . 19452 1 759 . 1 1 85 85 VAL N N 15 121.3 0.2 . 1 . . . A 93 VAL N . 19452 1 760 . 1 1 90 90 THR HA H 1 5.17 0.02 . 1 . . . A 98 THR HA . 19452 1 761 . 1 1 90 90 THR HB H 1 3.97 0.02 . 1 . . . A 98 THR HB . 19452 1 762 . 1 1 90 90 THR HG21 H 1 1.14 0.02 . 1 . . . A 98 THR HG21 . 19452 1 763 . 1 1 90 90 THR HG22 H 1 1.14 0.02 . 1 . . . A 98 THR HG22 . 19452 1 764 . 1 1 90 90 THR HG23 H 1 1.14 0.02 . 1 . . . A 98 THR HG23 . 19452 1 765 . 1 1 90 90 THR C C 13 172.3 0.2 . 1 . . . A 98 THR C . 19452 1 766 . 1 1 90 90 THR CA C 13 63.5 0.2 . 1 . . . A 98 THR CA . 19452 1 767 . 1 1 90 90 THR CB C 13 73.3 0.2 . 1 . . . A 98 THR CB . 19452 1 768 . 1 1 90 90 THR CG2 C 13 21.9 0.2 . 1 . . . A 98 THR CG2 . 19452 1 769 . 1 1 91 91 ILE H H 1 9.34 0.02 . 1 . . . A 99 ILE H . 19452 1 770 . 1 1 91 91 ILE HA H 1 5.59 0.02 . 1 . . . A 99 ILE HA . 19452 1 771 . 1 1 91 91 ILE HB H 1 1.86 0.02 . 1 . . . A 99 ILE HB . 19452 1 772 . 1 1 91 91 ILE HG12 H 1 1.54 0.02 . 2 . . . A 99 ILE HG12 . 19452 1 773 . 1 1 91 91 ILE HG13 H 1 1.38 0.02 . 2 . . . A 99 ILE HG13 . 19452 1 774 . 1 1 91 91 ILE HG21 H 1 0.78 0.02 . 1 . . . A 99 ILE HG21 . 19452 1 775 . 1 1 91 91 ILE HG22 H 1 0.78 0.02 . 1 . . . A 99 ILE HG22 . 19452 1 776 . 1 1 91 91 ILE HG23 H 1 0.78 0.02 . 1 . . . A 99 ILE HG23 . 19452 1 777 . 1 1 91 91 ILE HD11 H 1 0.89 0.02 . 1 . . . A 99 ILE HD11 . 19452 1 778 . 1 1 91 91 ILE HD12 H 1 0.89 0.02 . 1 . . . A 99 ILE HD12 . 19452 1 779 . 1 1 91 91 ILE HD13 H 1 0.89 0.02 . 1 . . . A 99 ILE HD13 . 19452 1 780 . 1 1 91 91 ILE C C 13 175.9 0.2 . 1 . . . A 99 ILE C . 19452 1 781 . 1 1 91 91 ILE CA C 13 58.4 0.2 . 1 . . . A 99 ILE CA . 19452 1 782 . 1 1 91 91 ILE CB C 13 40.0 0.2 . 1 . . . A 99 ILE CB . 19452 1 783 . 1 1 91 91 ILE CG1 C 13 28.8 0.2 . 1 . . . A 99 ILE CG1 . 19452 1 784 . 1 1 91 91 ILE CG2 C 13 18.9 0.2 . 1 . . . A 99 ILE CG2 . 19452 1 785 . 1 1 91 91 ILE CD1 C 13 13.2 0.2 . 1 . . . A 99 ILE CD1 . 19452 1 786 . 1 1 91 91 ILE N N 15 126.6 0.2 . 1 . . . A 99 ILE N . 19452 1 787 . 1 1 92 92 LEU H H 1 9.12 0.02 . 1 . . . A 100 LEU H . 19452 1 788 . 1 1 92 92 LEU HA H 1 5.12 0.02 . 1 . . . A 100 LEU HA . 19452 1 789 . 1 1 92 92 LEU HB2 H 1 1.95 0.02 . 2 . . . A 100 LEU HB2 . 19452 1 790 . 1 1 92 92 LEU HB3 H 1 1.36 0.02 . 2 . . . A 100 LEU HB3 . 19452 1 791 . 1 1 92 92 LEU HG H 1 0.86 0.02 . 1 . . . A 100 LEU HG . 19452 1 792 . 1 1 92 92 LEU C C 13 176.1 0.2 . 1 . . . A 100 LEU C . 19452 1 793 . 1 1 92 92 LEU CA C 13 53.1 0.2 . 1 . . . A 100 LEU CA . 19452 1 794 . 1 1 92 92 LEU CB C 13 45.9 0.2 . 1 . . . A 100 LEU CB . 19452 1 795 . 1 1 92 92 LEU CG C 13 23.9 0.2 . 1 . . . A 100 LEU CG . 19452 1 796 . 1 1 92 92 LEU N N 15 125.7 0.2 . 1 . . . A 100 LEU N . 19452 1 797 . 1 1 93 93 MET H H 1 8.08 0.02 . 1 . . . A 101 MET H . 19452 1 798 . 1 1 93 93 MET HA H 1 5.86 0.02 . 1 . . . A 101 MET HA . 19452 1 799 . 1 1 93 93 MET HB2 H 1 1.71 0.02 . 2 . . . A 101 MET HB2 . 19452 1 800 . 1 1 93 93 MET HB3 H 1 1.66 0.02 . 2 . . . A 101 MET HB3 . 19452 1 801 . 1 1 93 93 MET HG2 H 1 2.32 0.02 . 2 . . . A 101 MET HG2 . 19452 1 802 . 1 1 93 93 MET HG3 H 1 2.25 0.02 . 2 . . . A 101 MET HG3 . 19452 1 803 . 1 1 93 93 MET HE1 H 1 1.95 0.02 . 1 . . . A 101 MET HE1 . 19452 1 804 . 1 1 93 93 MET HE2 H 1 1.95 0.02 . 1 . . . A 101 MET HE2 . 19452 1 805 . 1 1 93 93 MET HE3 H 1 1.95 0.02 . 1 . . . A 101 MET HE3 . 19452 1 806 . 1 1 93 93 MET C C 13 174.4 0.2 . 1 . . . A 101 MET C . 19452 1 807 . 1 1 93 93 MET CA C 13 54.4 0.2 . 1 . . . A 101 MET CA . 19452 1 808 . 1 1 93 93 MET CB C 13 34.1 0.2 . 1 . . . A 101 MET CB . 19452 1 809 . 1 1 93 93 MET CG C 13 33.9 0.2 . 1 . . . A 101 MET CG . 19452 1 810 . 1 1 93 93 MET CE C 13 19.5 0.2 . 1 . . . A 101 MET CE . 19452 1 811 . 1 1 93 93 MET N N 15 117.7 0.2 . 1 . . . A 101 MET N . 19452 1 812 . 1 1 94 94 PHE H H 1 9.99 0.02 . 1 . . . A 102 PHE H . 19452 1 813 . 1 1 94 94 PHE HA H 1 5.57 0.02 . 1 . . . A 102 PHE HA . 19452 1 814 . 1 1 94 94 PHE HB2 H 1 2.79 0.02 . 2 . . . A 102 PHE HB2 . 19452 1 815 . 1 1 94 94 PHE HB3 H 1 2.66 0.02 . 2 . . . A 102 PHE HB3 . 19452 1 816 . 1 1 94 94 PHE HD1 H 1 6.78 0.02 . 3 . . . A 102 PHE HD1 . 19452 1 817 . 1 1 94 94 PHE HD2 H 1 6.78 0.02 . 3 . . . A 102 PHE HD2 . 19452 1 818 . 1 1 94 94 PHE HE1 H 1 6.78 0.02 . 3 . . . A 102 PHE HE1 . 19452 1 819 . 1 1 94 94 PHE HE2 H 1 6.78 0.02 . 3 . . . A 102 PHE HE2 . 19452 1 820 . 1 1 94 94 PHE HZ H 1 7.09 0.02 . 1 . . . A 102 PHE HZ . 19452 1 821 . 1 1 94 94 PHE C C 13 174.8 0.2 . 1 . . . A 102 PHE C . 19452 1 822 . 1 1 94 94 PHE CA C 13 55.9 0.2 . 1 . . . A 102 PHE CA . 19452 1 823 . 1 1 94 94 PHE CB C 13 44.8 0.2 . 1 . . . A 102 PHE CB . 19452 1 824 . 1 1 94 94 PHE CD1 C 13 131.8 0.2 . 3 . . . A 102 PHE CD1 . 19452 1 825 . 1 1 94 94 PHE CD2 C 13 131.8 0.2 . 3 . . . A 102 PHE CD2 . 19452 1 826 . 1 1 94 94 PHE CE1 C 13 131.4 0.2 . 3 . . . A 102 PHE CE1 . 19452 1 827 . 1 1 94 94 PHE CE2 C 13 131.4 0.2 . 3 . . . A 102 PHE CE2 . 19452 1 828 . 1 1 94 94 PHE CZ C 13 130.9 0.2 . 1 . . . A 102 PHE CZ . 19452 1 829 . 1 1 94 94 PHE N N 15 123.3 0.2 . 1 . . . A 102 PHE N . 19452 1 830 . 1 1 95 95 LYS H H 1 8.63 0.02 . 1 . . . A 103 LYS H . 19452 1 831 . 1 1 95 95 LYS C C 13 176.5 0.2 . 1 . . . A 103 LYS C . 19452 1 832 . 1 1 95 95 LYS CA C 13 57.5 0.2 . 1 . . . A 103 LYS CA . 19452 1 833 . 1 1 95 95 LYS CB C 13 37.2 0.2 . 1 . . . A 103 LYS CB . 19452 1 834 . 1 1 95 95 LYS N N 15 117.1 0.2 . 1 . . . A 103 LYS N . 19452 1 835 . 1 1 96 96 ASN H H 1 10.19 0.02 . 1 . . . A 104 ASN H . 19452 1 836 . 1 1 96 96 ASN HA H 1 4.82 0.02 . 1 . . . A 104 ASN HA . 19452 1 837 . 1 1 96 96 ASN HB2 H 1 3.15 0.02 . 2 . . . A 104 ASN HB2 . 19452 1 838 . 1 1 96 96 ASN HB3 H 1 2.93 0.02 . 2 . . . A 104 ASN HB3 . 19452 1 839 . 1 1 96 96 ASN C C 13 175.9 0.2 . 1 . . . A 104 ASN C . 19452 1 840 . 1 1 96 96 ASN CA C 13 54.5 0.2 . 1 . . . A 104 ASN CA . 19452 1 841 . 1 1 96 96 ASN CB C 13 36.9 0.2 . 1 . . . A 104 ASN CB . 19452 1 842 . 1 1 96 96 ASN N N 15 130.4 0.2 . 1 . . . A 104 ASN N . 19452 1 843 . 1 1 97 97 GLY H H 1 9.85 0.02 . 1 . . . A 105 GLY H . 19452 1 844 . 1 1 97 97 GLY HA2 H 1 4.41 0.02 . 2 . . . A 105 GLY HA2 . 19452 1 845 . 1 1 97 97 GLY HA3 H 1 3.65 0.02 . 2 . . . A 105 GLY HA3 . 19452 1 846 . 1 1 97 97 GLY C C 13 173.7 0.2 . 1 . . . A 105 GLY C . 19452 1 847 . 1 1 97 97 GLY CA C 13 46.0 0.2 . 1 . . . A 105 GLY CA . 19452 1 848 . 1 1 97 97 GLY N N 15 103.9 0.2 . 1 . . . A 105 GLY N . 19452 1 849 . 1 1 98 98 LYS H H 1 7.84 0.02 . 1 . . . A 106 LYS H . 19452 1 850 . 1 1 98 98 LYS HA H 1 4.74 0.02 . 1 . . . A 106 LYS HA . 19452 1 851 . 1 1 98 98 LYS HB2 H 1 1.88 0.02 . 2 . . . A 106 LYS HB2 . 19452 1 852 . 1 1 98 98 LYS HB3 H 1 1.88 0.02 . 2 . . . A 106 LYS HB3 . 19452 1 853 . 1 1 98 98 LYS HD2 H 1 1.54 0.02 . 2 . . . A 106 LYS HD2 . 19452 1 854 . 1 1 98 98 LYS HD3 H 1 1.43 0.02 . 2 . . . A 106 LYS HD3 . 19452 1 855 . 1 1 98 98 LYS C C 13 175.5 0.2 . 1 . . . A 106 LYS C . 19452 1 856 . 1 1 98 98 LYS CA C 13 54.7 0.2 . 1 . . . A 106 LYS CA . 19452 1 857 . 1 1 98 98 LYS CB C 13 34.2 0.2 . 1 . . . A 106 LYS CB . 19452 1 858 . 1 1 98 98 LYS CG C 13 29.1 0.2 . 1 . . . A 106 LYS CG . 19452 1 859 . 1 1 98 98 LYS CD C 13 24.7 0.2 . 1 . . . A 106 LYS CD . 19452 1 860 . 1 1 98 98 LYS N N 15 120.3 0.2 . 1 . . . A 106 LYS N . 19452 1 861 . 1 1 99 99 LYS H H 1 8.88 0.02 . 1 . . . A 107 LYS H . 19452 1 862 . 1 1 99 99 LYS HA H 1 3.61 0.02 . 1 . . . A 107 LYS HA . 19452 1 863 . 1 1 99 99 LYS HB2 H 1 1.84 0.02 . 2 . . . A 107 LYS HB2 . 19452 1 864 . 1 1 99 99 LYS HB3 H 1 1.49 0.02 . 2 . . . A 107 LYS HB3 . 19452 1 865 . 1 1 99 99 LYS C C 13 176.3 0.2 . 1 . . . A 107 LYS C . 19452 1 866 . 1 1 99 99 LYS CA C 13 56.6 0.2 . 1 . . . A 107 LYS CA . 19452 1 867 . 1 1 99 99 LYS CB C 13 31.5 0.2 . 1 . . . A 107 LYS CB . 19452 1 868 . 1 1 99 99 LYS CG C 13 29.8 0.2 . 1 . . . A 107 LYS CG . 19452 1 869 . 1 1 99 99 LYS CD C 13 24.4 0.2 . 1 . . . A 107 LYS CD . 19452 1 870 . 1 1 99 99 LYS N N 15 124.9 0.2 . 1 . . . A 107 LYS N . 19452 1 871 . 1 1 100 100 LEU H H 1 9.32 0.02 . 1 . . . A 108 LEU H . 19452 1 872 . 1 1 100 100 LEU HA H 1 4.44 0.02 . 1 . . . A 108 LEU HA . 19452 1 873 . 1 1 100 100 LEU HB2 H 1 1.43 0.02 . 2 . . . A 108 LEU HB2 . 19452 1 874 . 1 1 100 100 LEU HB3 H 1 1.23 0.02 . 2 . . . A 108 LEU HB3 . 19452 1 875 . 1 1 100 100 LEU HG H 1 1.67 0.02 . 1 . . . A 108 LEU HG . 19452 1 876 . 1 1 100 100 LEU HD11 H 1 0.81 0.02 . 2 . . . A 108 LEU HD11 . 19452 1 877 . 1 1 100 100 LEU HD12 H 1 0.81 0.02 . 2 . . . A 108 LEU HD12 . 19452 1 878 . 1 1 100 100 LEU HD13 H 1 0.81 0.02 . 2 . . . A 108 LEU HD13 . 19452 1 879 . 1 1 100 100 LEU HD21 H 1 0.81 0.02 . 2 . . . A 108 LEU HD21 . 19452 1 880 . 1 1 100 100 LEU HD22 H 1 0.81 0.02 . 2 . . . A 108 LEU HD22 . 19452 1 881 . 1 1 100 100 LEU HD23 H 1 0.81 0.02 . 2 . . . A 108 LEU HD23 . 19452 1 882 . 1 1 100 100 LEU C C 13 177.4 0.2 . 1 . . . A 108 LEU C . 19452 1 883 . 1 1 100 100 LEU CA C 13 55.3 0.2 . 1 . . . A 108 LEU CA . 19452 1 884 . 1 1 100 100 LEU CB C 13 44.1 0.2 . 1 . . . A 108 LEU CB . 19452 1 885 . 1 1 100 100 LEU CG C 13 26.2 0.2 . 1 . . . A 108 LEU CG . 19452 1 886 . 1 1 100 100 LEU CD1 C 13 22.4 0.2 . 2 . . . A 108 LEU CD1 . 19452 1 887 . 1 1 100 100 LEU CD2 C 13 22.4 0.2 . 2 . . . A 108 LEU CD2 . 19452 1 888 . 1 1 100 100 LEU N N 15 128.8 0.2 . 1 . . . A 108 LEU N . 19452 1 889 . 1 1 101 101 SER H H 1 7.26 0.02 . 1 . . . A 109 SER H . 19452 1 890 . 1 1 101 101 SER HA H 1 4.55 0.02 . 1 . . . A 109 SER HA . 19452 1 891 . 1 1 101 101 SER HB2 H 1 3.67 0.02 . 2 . . . A 109 SER HB2 . 19452 1 892 . 1 1 101 101 SER HB3 H 1 3.44 0.02 . 2 . . . A 109 SER HB3 . 19452 1 893 . 1 1 101 101 SER C C 13 172.4 0.2 . 1 . . . A 109 SER C . 19452 1 894 . 1 1 101 101 SER CA C 13 57.2 0.2 . 1 . . . A 109 SER CA . 19452 1 895 . 1 1 101 101 SER CB C 13 64.4 0.2 . 1 . . . A 109 SER CB . 19452 1 896 . 1 1 101 101 SER N N 15 109.0 0.2 . 1 . . . A 109 SER N . 19452 1 897 . 1 1 102 102 GLN H H 1 8.23 0.02 . 1 . . . A 110 GLN H . 19452 1 898 . 1 1 102 102 GLN HA H 1 5.22 0.02 . 1 . . . A 110 GLN HA . 19452 1 899 . 1 1 102 102 GLN HB2 H 1 2.09 0.02 . 2 . . . A 110 GLN HB2 . 19452 1 900 . 1 1 102 102 GLN HB3 H 1 1.78 0.02 . 2 . . . A 110 GLN HB3 . 19452 1 901 . 1 1 102 102 GLN C C 13 173.8 0.2 . 1 . . . A 110 GLN C . 19452 1 902 . 1 1 102 102 GLN CA C 13 54.4 0.2 . 1 . . . A 110 GLN CA . 19452 1 903 . 1 1 102 102 GLN CB C 13 31.8 0.2 . 1 . . . A 110 GLN CB . 19452 1 904 . 1 1 102 102 GLN CG C 13 32.6 0.2 . 1 . . . A 110 GLN CG . 19452 1 905 . 1 1 102 102 GLN N N 15 119.9 0.2 . 1 . . . A 110 GLN N . 19452 1 906 . 1 1 103 103 VAL H H 1 9.31 0.02 . 1 . . . A 111 VAL H . 19452 1 907 . 1 1 103 103 VAL HA H 1 4.33 0.02 . 1 . . . A 111 VAL HA . 19452 1 908 . 1 1 103 103 VAL HB H 1 1.90 0.02 . 1 . . . A 111 VAL HB . 19452 1 909 . 1 1 103 103 VAL HG11 H 1 0.81 0.02 . 2 . . . A 111 VAL HG11 . 19452 1 910 . 1 1 103 103 VAL HG12 H 1 0.81 0.02 . 2 . . . A 111 VAL HG12 . 19452 1 911 . 1 1 103 103 VAL HG13 H 1 0.81 0.02 . 2 . . . A 111 VAL HG13 . 19452 1 912 . 1 1 103 103 VAL HG21 H 1 0.81 0.02 . 2 . . . A 111 VAL HG21 . 19452 1 913 . 1 1 103 103 VAL HG22 H 1 0.81 0.02 . 2 . . . A 111 VAL HG22 . 19452 1 914 . 1 1 103 103 VAL HG23 H 1 0.81 0.02 . 2 . . . A 111 VAL HG23 . 19452 1 915 . 1 1 103 103 VAL C C 13 174.6 0.2 . 1 . . . A 111 VAL C . 19452 1 916 . 1 1 103 103 VAL CA C 13 61.7 0.2 . 1 . . . A 111 VAL CA . 19452 1 917 . 1 1 103 103 VAL CB C 13 34.6 0.2 . 1 . . . A 111 VAL CB . 19452 1 918 . 1 1 103 103 VAL CG1 C 13 21.1 0.2 . 2 . . . A 111 VAL CG1 . 19452 1 919 . 1 1 103 103 VAL CG2 C 13 21.1 0.2 . 2 . . . A 111 VAL CG2 . 19452 1 920 . 1 1 103 103 VAL N N 15 123.8 0.2 . 1 . . . A 111 VAL N . 19452 1 921 . 1 1 104 104 ILE H H 1 8.97 0.02 . 1 . . . A 112 ILE H . 19452 1 922 . 1 1 104 104 ILE HB H 1 1.79 0.02 . 1 . . . A 112 ILE HB . 19452 1 923 . 1 1 104 104 ILE HG12 H 1 1.53 0.02 . 2 . . . A 112 ILE HG12 . 19452 1 924 . 1 1 104 104 ILE HG13 H 1 1.24 0.02 . 2 . . . A 112 ILE HG13 . 19452 1 925 . 1 1 104 104 ILE HG21 H 1 0.86 0.02 . 1 . . . A 112 ILE HG21 . 19452 1 926 . 1 1 104 104 ILE HG22 H 1 0.86 0.02 . 1 . . . A 112 ILE HG22 . 19452 1 927 . 1 1 104 104 ILE HG23 H 1 0.86 0.02 . 1 . . . A 112 ILE HG23 . 19452 1 928 . 1 1 104 104 ILE HD11 H 1 0.90 0.02 . 1 . . . A 112 ILE HD11 . 19452 1 929 . 1 1 104 104 ILE HD12 H 1 0.90 0.02 . 1 . . . A 112 ILE HD12 . 19452 1 930 . 1 1 104 104 ILE HD13 H 1 0.90 0.02 . 1 . . . A 112 ILE HD13 . 19452 1 931 . 1 1 104 104 ILE C C 13 176.4 0.2 . 1 . . . A 112 ILE C . 19452 1 932 . 1 1 104 104 ILE CA C 13 61.5 0.2 . 1 . . . A 112 ILE CA . 19452 1 933 . 1 1 104 104 ILE CB C 13 38.7 0.2 . 1 . . . A 112 ILE CB . 19452 1 934 . 1 1 104 104 ILE CG1 C 13 27.5 0.2 . 1 . . . A 112 ILE CG1 . 19452 1 935 . 1 1 104 104 ILE CG2 C 13 17.4 0.2 . 1 . . . A 112 ILE CG2 . 19452 1 936 . 1 1 104 104 ILE CD1 C 13 13.6 0.2 . 1 . . . A 112 ILE CD1 . 19452 1 937 . 1 1 104 104 ILE N N 15 129.4 0.2 . 1 . . . A 112 ILE N . 19452 1 938 . 1 1 105 105 GLY H H 1 8.50 0.02 . 1 . . . A 113 GLY H . 19452 1 939 . 1 1 105 105 GLY HA2 H 1 4.51 0.02 . 2 . . . A 113 GLY HA2 . 19452 1 940 . 1 1 105 105 GLY HA3 H 1 3.67 0.02 . 2 . . . A 113 GLY HA3 . 19452 1 941 . 1 1 105 105 GLY C C 13 172.7 0.2 . 1 . . . A 113 GLY C . 19452 1 942 . 1 1 105 105 GLY CA C 13 43.7 0.2 . 1 . . . A 113 GLY CA . 19452 1 943 . 1 1 105 105 GLY N N 15 115.4 0.2 . 1 . . . A 113 GLY N . 19452 1 944 . 1 1 106 106 ALA H H 1 8.36 0.02 . 1 . . . A 114 ALA H . 19452 1 945 . 1 1 106 106 ALA HA H 1 4.38 0.02 . 1 . . . A 114 ALA HA . 19452 1 946 . 1 1 106 106 ALA HB1 H 1 1.33 0.02 . 1 . . . A 114 ALA HB1 . 19452 1 947 . 1 1 106 106 ALA HB2 H 1 1.33 0.02 . 1 . . . A 114 ALA HB2 . 19452 1 948 . 1 1 106 106 ALA HB3 H 1 1.33 0.02 . 1 . . . A 114 ALA HB3 . 19452 1 949 . 1 1 106 106 ALA C C 13 176.3 0.2 . 1 . . . A 114 ALA C . 19452 1 950 . 1 1 106 106 ALA CA C 13 50.5 0.2 . 1 . . . A 114 ALA CA . 19452 1 951 . 1 1 106 106 ALA CB C 13 18.4 0.2 . 1 . . . A 114 ALA CB . 19452 1 952 . 1 1 106 106 ALA N N 15 120.2 0.2 . 1 . . . A 114 ALA N . 19452 1 953 . 1 1 107 107 ASP H H 1 7.61 0.02 . 1 . . . A 115 ASP H . 19452 1 954 . 1 1 107 107 ASP HA H 1 4.77 0.02 . 1 . . . A 115 ASP HA . 19452 1 955 . 1 1 107 107 ASP HB2 H 1 2.82 0.02 . 2 . . . A 115 ASP HB2 . 19452 1 956 . 1 1 107 107 ASP HB3 H 1 2.47 0.02 . 2 . . . A 115 ASP HB3 . 19452 1 957 . 1 1 107 107 ASP C C 13 176.6 0.2 . 1 . . . A 115 ASP C . 19452 1 958 . 1 1 107 107 ASP CA C 13 52.6 0.2 . 1 . . . A 115 ASP CA . 19452 1 959 . 1 1 107 107 ASP CB C 13 40.6 0.2 . 1 . . . A 115 ASP CB . 19452 1 960 . 1 1 107 107 ASP N N 15 121.1 0.2 . 1 . . . A 115 ASP N . 19452 1 961 . 1 1 108 108 ILE H H 1 8.55 0.02 . 1 . . . A 116 ILE H . 19452 1 962 . 1 1 108 108 ILE HA H 1 4.01 0.02 . 1 . . . A 116 ILE HA . 19452 1 963 . 1 1 108 108 ILE HB H 1 1.82 0.02 . 1 . . . A 116 ILE HB . 19452 1 964 . 1 1 108 108 ILE HG12 H 1 1.47 0.02 . 2 . . . A 116 ILE HG12 . 19452 1 965 . 1 1 108 108 ILE HG13 H 1 1.47 0.02 . 2 . . . A 116 ILE HG13 . 19452 1 966 . 1 1 108 108 ILE HG21 H 1 1.01 0.02 . 1 . . . A 116 ILE HG21 . 19452 1 967 . 1 1 108 108 ILE HG22 H 1 1.01 0.02 . 1 . . . A 116 ILE HG22 . 19452 1 968 . 1 1 108 108 ILE HG23 H 1 1.01 0.02 . 1 . . . A 116 ILE HG23 . 19452 1 969 . 1 1 108 108 ILE HD11 H 1 0.80 0.02 . 1 . . . A 116 ILE HD11 . 19452 1 970 . 1 1 108 108 ILE HD12 H 1 0.80 0.02 . 1 . . . A 116 ILE HD12 . 19452 1 971 . 1 1 108 108 ILE HD13 H 1 0.80 0.02 . 1 . . . A 116 ILE HD13 . 19452 1 972 . 1 1 108 108 ILE C C 13 176.4 0.2 . 1 . . . A 116 ILE C . 19452 1 973 . 1 1 108 108 ILE CA C 13 60.7 0.2 . 1 . . . A 116 ILE CA . 19452 1 974 . 1 1 108 108 ILE CB C 13 38.3 0.2 . 1 . . . A 116 ILE CB . 19452 1 975 . 1 1 108 108 ILE CG1 C 13 28.0 0.2 . 1 . . . A 116 ILE CG1 . 19452 1 976 . 1 1 108 108 ILE CG2 C 13 18.6 0.2 . 1 . . . A 116 ILE CG2 . 19452 1 977 . 1 1 108 108 ILE CD1 C 13 13.9 0.2 . 1 . . . A 116 ILE CD1 . 19452 1 978 . 1 1 108 108 ILE N N 15 125.7 0.2 . 1 . . . A 116 ILE N . 19452 1 979 . 1 1 109 109 SER H H 1 8.33 0.02 . 1 . . . A 117 SER H . 19452 1 980 . 1 1 109 109 SER HA H 1 4.18 0.02 . 1 . . . A 117 SER HA . 19452 1 981 . 1 1 109 109 SER HB2 H 1 3.98 0.02 . 2 . . . A 117 SER HB2 . 19452 1 982 . 1 1 109 109 SER HB3 H 1 3.98 0.02 . 2 . . . A 117 SER HB3 . 19452 1 983 . 1 1 109 109 SER C C 13 177.3 0.2 . 1 . . . A 117 SER C . 19452 1 984 . 1 1 109 109 SER CA C 13 61.7 0.2 . 1 . . . A 117 SER CA . 19452 1 985 . 1 1 109 109 SER CB C 13 62.1 0.2 . 1 . . . A 117 SER CB . 19452 1 986 . 1 1 109 109 SER N N 15 117.7 0.2 . 1 . . . A 117 SER N . 19452 1 987 . 1 1 110 110 LYS H H 1 7.48 0.02 . 1 . . . A 118 LYS H . 19452 1 988 . 1 1 110 110 LYS HA H 1 4.22 0.02 . 1 . . . A 118 LYS HA . 19452 1 989 . 1 1 110 110 LYS HB2 H 1 1.84 0.02 . 2 . . . A 118 LYS HB2 . 19452 1 990 . 1 1 110 110 LYS HB3 H 1 1.84 0.02 . 2 . . . A 118 LYS HB3 . 19452 1 991 . 1 1 110 110 LYS HG2 H 1 1.80 0.02 . 2 . . . A 118 LYS HG2 . 19452 1 992 . 1 1 110 110 LYS HG3 H 1 1.8 0.02 . 2 . . . A 118 LYS HG3 . 19452 1 993 . 1 1 110 110 LYS HD2 H 1 1.48 0.02 . 2 . . . A 118 LYS HD2 . 19452 1 994 . 1 1 110 110 LYS HD3 H 1 1.48 0.02 . 2 . . . A 118 LYS HD3 . 19452 1 995 . 1 1 110 110 LYS HE2 H 1 3.02 0.02 . 2 . . . A 118 LYS HE2 . 19452 1 996 . 1 1 110 110 LYS HE3 H 1 3.02 0.02 . 2 . . . A 118 LYS HE3 . 19452 1 997 . 1 1 110 110 LYS CA C 13 58.1 0.2 . 1 . . . A 118 LYS CA . 19452 1 998 . 1 1 110 110 LYS CB C 13 32.3 0.2 . 1 . . . A 118 LYS CB . 19452 1 999 . 1 1 110 110 LYS CG C 13 28.7 0.2 . 1 . . . A 118 LYS CG . 19452 1 1000 . 1 1 110 110 LYS CD C 13 25.1 0.2 . 1 . . . A 118 LYS CD . 19452 1 1001 . 1 1 110 110 LYS N N 15 123.2 0.2 . 1 . . . A 118 LYS N . 19452 1 1002 . 1 1 111 111 ILE H H 1 7.64 0.02 . 1 . . . A 119 ILE H . 19452 1 1003 . 1 1 111 111 ILE HA H 1 4.03 0.02 . 1 . . . A 119 ILE HA . 19452 1 1004 . 1 1 111 111 ILE HB H 1 1.98 0.02 . 1 . . . A 119 ILE HB . 19452 1 1005 . 1 1 111 111 ILE HG12 H 1 1.89 0.02 . 2 . . . A 119 ILE HG12 . 19452 1 1006 . 1 1 111 111 ILE HG13 H 1 0.70 0.02 . 2 . . . A 119 ILE HG13 . 19452 1 1007 . 1 1 111 111 ILE HG21 H 1 0.67 0.02 . 1 . . . A 119 ILE HG21 . 19452 1 1008 . 1 1 111 111 ILE HG22 H 1 0.67 0.02 . 1 . . . A 119 ILE HG22 . 19452 1 1009 . 1 1 111 111 ILE HG23 H 1 0.67 0.02 . 1 . . . A 119 ILE HG23 . 19452 1 1010 . 1 1 111 111 ILE HD11 H 1 0.80 0.02 . 1 . . . A 119 ILE HD11 . 19452 1 1011 . 1 1 111 111 ILE HD12 H 1 0.80 0.02 . 1 . . . A 119 ILE HD12 . 19452 1 1012 . 1 1 111 111 ILE HD13 H 1 0.80 0.02 . 1 . . . A 119 ILE HD13 . 19452 1 1013 . 1 1 111 111 ILE C C 13 177.2 0.2 . 1 . . . A 119 ILE C . 19452 1 1014 . 1 1 111 111 ILE CA C 13 61.1 0.2 . 1 . . . A 119 ILE CA . 19452 1 1015 . 1 1 111 111 ILE CB C 13 37.8 0.2 . 1 . . . A 119 ILE CB . 19452 1 1016 . 1 1 111 111 ILE CG1 C 13 30.0 0.2 . 1 . . . A 119 ILE CG1 . 19452 1 1017 . 1 1 111 111 ILE CG2 C 13 17.2 0.2 . 1 . . . A 119 ILE CG2 . 19452 1 1018 . 1 1 111 111 ILE CD1 C 13 14.1 0.2 . 1 . . . A 119 ILE CD1 . 19452 1 1019 . 1 1 111 111 ILE N N 15 119.3 0.2 . 1 . . . A 119 ILE N . 19452 1 1020 . 1 1 112 112 ILE H H 1 8.41 0.02 . 1 . . . A 120 ILE H . 19452 1 1021 . 1 1 112 112 ILE HA H 1 3.43 0.02 . 1 . . . A 120 ILE HA . 19452 1 1022 . 1 1 112 112 ILE HB H 1 1.80 0.02 . 1 . . . A 120 ILE HB . 19452 1 1023 . 1 1 112 112 ILE HG12 H 1 1.81 0.02 . 2 . . . A 120 ILE HG12 . 19452 1 1024 . 1 1 112 112 ILE HG13 H 1 1.02 0.02 . 2 . . . A 120 ILE HG13 . 19452 1 1025 . 1 1 112 112 ILE HG21 H 1 0.95 0.02 . 1 . . . A 120 ILE HG21 . 19452 1 1026 . 1 1 112 112 ILE HG22 H 1 0.95 0.02 . 1 . . . A 120 ILE HG22 . 19452 1 1027 . 1 1 112 112 ILE HG23 H 1 0.95 0.02 . 1 . . . A 120 ILE HG23 . 19452 1 1028 . 1 1 112 112 ILE HD11 H 1 0.93 0.02 . 1 . . . A 120 ILE HD11 . 19452 1 1029 . 1 1 112 112 ILE HD12 H 1 0.93 0.02 . 1 . . . A 120 ILE HD12 . 19452 1 1030 . 1 1 112 112 ILE HD13 H 1 0.93 0.02 . 1 . . . A 120 ILE HD13 . 19452 1 1031 . 1 1 112 112 ILE C C 13 177.7 0.2 . 1 . . . A 120 ILE C . 19452 1 1032 . 1 1 112 112 ILE CA C 13 66.1 0.2 . 1 . . . A 120 ILE CA . 19452 1 1033 . 1 1 112 112 ILE CB C 13 38.5 0.2 . 1 . . . A 120 ILE CB . 19452 1 1034 . 1 1 112 112 ILE CG1 C 13 30.9 0.2 . 1 . . . A 120 ILE CG1 . 19452 1 1035 . 1 1 112 112 ILE CG2 C 13 17.0 0.2 . 1 . . . A 120 ILE CG2 . 19452 1 1036 . 1 1 112 112 ILE CD1 C 13 13.9 0.2 . 1 . . . A 120 ILE CD1 . 19452 1 1037 . 1 1 112 112 ILE N N 15 118.7 0.2 . 1 . . . A 120 ILE N . 19452 1 1038 . 1 1 113 113 SER H H 1 7.92 0.02 . 1 . . . A 121 SER H . 19452 1 1039 . 1 1 113 113 SER HA H 1 4.20 0.02 . 1 . . . A 121 SER HA . 19452 1 1040 . 1 1 113 113 SER HB2 H 1 4.02 0.02 . 2 . . . A 121 SER HB2 . 19452 1 1041 . 1 1 113 113 SER HB3 H 1 3.97 0.02 . 2 . . . A 121 SER HB3 . 19452 1 1042 . 1 1 113 113 SER C C 13 177.2 0.2 . 1 . . . A 121 SER C . 19452 1 1043 . 1 1 113 113 SER CA C 13 62.0 0.2 . 1 . . . A 121 SER CA . 19452 1 1044 . 1 1 113 113 SER CB C 13 62.6 0.2 . 1 . . . A 121 SER CB . 19452 1 1045 . 1 1 113 113 SER N N 15 113.8 0.2 . 1 . . . A 121 SER N . 19452 1 1046 . 1 1 114 114 GLU H H 1 8.01 0.02 . 1 . . . A 122 GLU H . 19452 1 1047 . 1 1 114 114 GLU HA H 1 4.15 0.02 . 1 . . . A 122 GLU HA . 19452 1 1048 . 1 1 114 114 GLU HB2 H 1 2.04 0.02 . 2 . . . A 122 GLU HB2 . 19452 1 1049 . 1 1 114 114 GLU HB3 H 1 1.78 0.02 . 2 . . . A 122 GLU HB3 . 19452 1 1050 . 1 1 114 114 GLU HG2 H 1 2.34 0.02 . 2 . . . A 122 GLU HG2 . 19452 1 1051 . 1 1 114 114 GLU HG3 H 1 2.08 0.02 . 2 . . . A 122 GLU HG3 . 19452 1 1052 . 1 1 114 114 GLU C C 13 179.9 0.2 . 1 . . . A 122 GLU C . 19452 1 1053 . 1 1 114 114 GLU CA C 13 58.5 0.2 . 1 . . . A 122 GLU CA . 19452 1 1054 . 1 1 114 114 GLU CB C 13 27.3 0.2 . 1 . . . A 122 GLU CB . 19452 1 1055 . 1 1 114 114 GLU CG C 13 36.4 0.2 . 1 . . . A 122 GLU CG . 19452 1 1056 . 1 1 114 114 GLU N N 15 119.4 0.2 . 1 . . . A 122 GLU N . 19452 1 1057 . 1 1 115 115 ILE H H 1 8.37 0.02 . 1 . . . A 123 ILE H . 19452 1 1058 . 1 1 115 115 ILE HA H 1 3.38 0.02 . 1 . . . A 123 ILE HA . 19452 1 1059 . 1 1 115 115 ILE HB H 1 1.75 0.02 . 1 . . . A 123 ILE HB . 19452 1 1060 . 1 1 115 115 ILE HG12 H 1 1.77 0.02 . 2 . . . A 123 ILE HG12 . 19452 1 1061 . 1 1 115 115 ILE HG13 H 1 0.57 0.02 . 2 . . . A 123 ILE HG13 . 19452 1 1062 . 1 1 115 115 ILE HG21 H 1 0.11 0.02 . 1 . . . A 123 ILE HG21 . 19452 1 1063 . 1 1 115 115 ILE HG22 H 1 0.11 0.02 . 1 . . . A 123 ILE HG22 . 19452 1 1064 . 1 1 115 115 ILE HG23 H 1 0.11 0.02 . 1 . . . A 123 ILE HG23 . 19452 1 1065 . 1 1 115 115 ILE HD11 H 1 0.51 0.02 . 1 . . . A 123 ILE HD11 . 19452 1 1066 . 1 1 115 115 ILE HD12 H 1 0.51 0.02 . 1 . . . A 123 ILE HD12 . 19452 1 1067 . 1 1 115 115 ILE HD13 H 1 0.51 0.02 . 1 . . . A 123 ILE HD13 . 19452 1 1068 . 1 1 115 115 ILE C C 13 178.1 0.2 . 1 . . . A 123 ILE C . 19452 1 1069 . 1 1 115 115 ILE CA C 13 66.0 0.2 . 1 . . . A 123 ILE CA . 19452 1 1070 . 1 1 115 115 ILE CB C 13 37.7 0.2 . 1 . . . A 123 ILE CB . 19452 1 1071 . 1 1 115 115 ILE CG1 C 13 28.8 0.2 . 1 . . . A 123 ILE CG1 . 19452 1 1072 . 1 1 115 115 ILE CG2 C 13 16.4 0.2 . 1 . . . A 123 ILE CG2 . 19452 1 1073 . 1 1 115 115 ILE CD1 C 13 15.0 0.2 . 1 . . . A 123 ILE CD1 . 19452 1 1074 . 1 1 115 115 ILE N N 15 121.7 0.2 . 1 . . . A 123 ILE N . 19452 1 1075 . 1 1 116 116 ASN H H 1 8.23 0.02 . 1 . . . A 124 ASN H . 19452 1 1076 . 1 1 116 116 ASN HA H 1 4.33 0.02 . 1 . . . A 124 ASN HA . 19452 1 1077 . 1 1 116 116 ASN HB2 H 1 2.88 0.02 . 2 . . . A 124 ASN HB2 . 19452 1 1078 . 1 1 116 116 ASN HB3 H 1 2.82 0.02 . 2 . . . A 124 ASN HB3 . 19452 1 1079 . 1 1 116 116 ASN HD21 H 1 6.93 0.02 . 2 . . . A 124 ASN HD21 . 19452 1 1080 . 1 1 116 116 ASN HD22 H 1 7.65 0.02 . 2 . . . A 124 ASN HD22 . 19452 1 1081 . 1 1 116 116 ASN C C 13 177.9 0.2 . 1 . . . A 124 ASN C . 19452 1 1082 . 1 1 116 116 ASN CA C 13 55.9 0.2 . 1 . . . A 124 ASN CA . 19452 1 1083 . 1 1 116 116 ASN CB C 13 37.6 0.2 . 1 . . . A 124 ASN CB . 19452 1 1084 . 1 1 116 116 ASN N N 15 116.1 0.2 . 1 . . . A 124 ASN N . 19452 1 1085 . 1 1 116 116 ASN ND2 N 15 112.4 0.2 . 1 . . . A 124 ASN ND2 . 19452 1 1086 . 1 1 117 117 ASN H H 1 7.93 0.02 . 1 . . . A 125 ASN H . 19452 1 1087 . 1 1 117 117 ASN HA H 1 4.63 0.02 . 1 . . . A 125 ASN HA . 19452 1 1088 . 1 1 117 117 ASN HB2 H 1 2.85 0.02 . 2 . . . A 125 ASN HB2 . 19452 1 1089 . 1 1 117 117 ASN HB3 H 1 2.76 0.02 . 2 . . . A 125 ASN HB3 . 19452 1 1090 . 1 1 117 117 ASN HD21 H 1 6.78 0.02 . 2 . . . A 125 ASN HD21 . 19452 1 1091 . 1 1 117 117 ASN HD22 H 1 7.43 0.02 . 2 . . . A 125 ASN HD22 . 19452 1 1092 . 1 1 117 117 ASN C C 13 176.2 0.2 . 1 . . . A 125 ASN C . 19452 1 1093 . 1 1 117 117 ASN CA C 13 54.3 0.2 . 1 . . . A 125 ASN CA . 19452 1 1094 . 1 1 117 117 ASN CB C 13 39.1 0.2 . 1 . . . A 125 ASN CB . 19452 1 1095 . 1 1 117 117 ASN N N 15 115.4 0.2 . 1 . . . A 125 ASN N . 19452 1 1096 . 1 1 117 117 ASN ND2 N 15 111.6 0.2 . 1 . . . A 125 ASN ND2 . 19452 1 1097 . 1 1 118 118 ASN H H 1 7.71 0.02 . 1 . . . A 126 ASN H . 19452 1 1098 . 1 1 118 118 ASN HA H 1 5.01 0.02 . 1 . . . A 126 ASN HA . 19452 1 1099 . 1 1 118 118 ASN HB2 H 1 2.74 0.02 . 2 . . . A 126 ASN HB2 . 19452 1 1100 . 1 1 118 118 ASN HB3 H 1 2.47 0.02 . 2 . . . A 126 ASN HB3 . 19452 1 1101 . 1 1 118 118 ASN HD21 H 1 7.24 0.02 . 2 . . . A 126 ASN HD21 . 19452 1 1102 . 1 1 118 118 ASN HD22 H 1 7.71 0.02 . 2 . . . A 126 ASN HD22 . 19452 1 1103 . 1 1 118 118 ASN C C 13 174.4 0.2 . 1 . . . A 126 ASN C . 19452 1 1104 . 1 1 118 118 ASN CA C 13 54.2 0.2 . 1 . . . A 126 ASN CA . 19452 1 1105 . 1 1 118 118 ASN CB C 13 42.2 0.2 . 1 . . . A 126 ASN CB . 19452 1 1106 . 1 1 118 118 ASN N N 15 115.4 0.2 . 1 . . . A 126 ASN N . 19452 1 1107 . 1 1 118 118 ASN ND2 N 15 115.8 0.2 . 1 . . . A 126 ASN ND2 . 19452 1 1108 . 1 1 119 119 ILE H H 1 7.52 0.02 . 1 . . . A 127 ILE H . 19452 1 1109 . 1 1 119 119 ILE HA H 1 4.32 0.02 . 1 . . . A 127 ILE HA . 19452 1 1110 . 1 1 119 119 ILE HB H 1 1.94 0.02 . 1 . . . A 127 ILE HB . 19452 1 1111 . 1 1 119 119 ILE HG12 H 1 1.42 0.02 . 2 . . . A 127 ILE HG12 . 19452 1 1112 . 1 1 119 119 ILE HG13 H 1 1.30 0.02 . 2 . . . A 127 ILE HG13 . 19452 1 1113 . 1 1 119 119 ILE HG21 H 1 0.89 0.02 . 1 . . . A 127 ILE HG21 . 19452 1 1114 . 1 1 119 119 ILE HG22 H 1 0.89 0.02 . 1 . . . A 127 ILE HG22 . 19452 1 1115 . 1 1 119 119 ILE HG23 H 1 0.89 0.02 . 1 . . . A 127 ILE HG23 . 19452 1 1116 . 1 1 119 119 ILE HD11 H 1 0.76 0.02 . 1 . . . A 127 ILE HD11 . 19452 1 1117 . 1 1 119 119 ILE HD12 H 1 0.76 0.02 . 1 . . . A 127 ILE HD12 . 19452 1 1118 . 1 1 119 119 ILE HD13 H 1 0.76 0.02 . 1 . . . A 127 ILE HD13 . 19452 1 1119 . 1 1 119 119 ILE C C 13 174.9 0.2 . 1 . . . A 127 ILE C . 19452 1 1120 . 1 1 119 119 ILE CA C 13 62.2 0.2 . 1 . . . A 127 ILE CA . 19452 1 1121 . 1 1 119 119 ILE CB C 13 39.2 0.2 . 1 . . . A 127 ILE CB . 19452 1 1122 . 1 1 119 119 ILE CG1 C 13 26.4 0.2 . 1 . . . A 127 ILE CG1 . 19452 1 1123 . 1 1 119 119 ILE CG2 C 13 17.5 0.2 . 1 . . . A 127 ILE CG2 . 19452 1 1124 . 1 1 119 119 ILE CD1 C 13 14.2 0.2 . 1 . . . A 127 ILE CD1 . 19452 1 1125 . 1 1 119 119 ILE N N 15 117.3 0.2 . 1 . . . A 127 ILE N . 19452 1 1126 . 1 1 120 120 ASN H H 1 7.96 0.02 . 1 . . . A 128 ASN H . 19452 1 1127 . 1 1 120 120 ASN HA H 1 4.51 0.02 . 1 . . . A 128 ASN HA . 19452 1 1128 . 1 1 120 120 ASN HB2 H 1 2.83 0.02 . 2 . . . A 128 ASN HB2 . 19452 1 1129 . 1 1 120 120 ASN HB3 H 1 2.70 0.02 . 2 . . . A 128 ASN HB3 . 19452 1 1130 . 1 1 120 120 ASN HD21 H 1 6.90 0.02 . 2 . . . A 128 ASN HD21 . 19452 1 1131 . 1 1 120 120 ASN HD22 H 1 7.61 0.02 . 2 . . . A 128 ASN HD22 . 19452 1 1132 . 1 1 120 120 ASN CA C 13 55.0 0.2 . 1 . . . A 128 ASN CA . 19452 1 1133 . 1 1 120 120 ASN CB C 13 40.2 0.2 . 1 . . . A 128 ASN CB . 19452 1 1134 . 1 1 120 120 ASN N N 15 124.9 0.2 . 1 . . . A 128 ASN N . 19452 1 1135 . 1 1 120 120 ASN ND2 N 15 113.3 0.2 . 1 . . . A 128 ASN ND2 . 19452 1 stop_ save_