data_30537 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30537 _Entry.Title ; Solution NMR structure of a putative thioredoxin (trxA) in the reduced state from Rickettsia prowazekii, the etiological agent responsible for typhus. Seattle Structural Genomics Center for Infectious Disease target RiprA.00029.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-04 _Entry.Accession_date 2018-11-04 _Entry.Last_release_date 2018-12-03 _Entry.Original_release_date 2018-12-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30537 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Buchko G. W. . . 30537 2 SSGCID 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 30537 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'INFECTIOUS DISEASES' . 30537 OXIDOREDUCTASE . 30537 SSGCID . 30537 'Seattle Structural Genomics Center for Infectious Disease' . 30537 'Structural Genomics' . 30537 typhus . 30537 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30537 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 30537 '15N chemical shifts' 124 30537 '1H chemical shifts' 688 30537 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 . . 2018-12-10 . original BMRB . 30537 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MZA . 30537 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30537 _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 NMR structure of reduced Rickettsia prowazekii thioredoxin. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Buchko G. W. . . 30537 1 2 W. 'Van Voorhis' W. C. . . 30537 1 3 P. Myler P. J. . . 30537 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30537 _Assembly.ID 1 _Assembly.Name Thioredoxin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30537 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30537 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMSCYNEITTLLEFDSN DINTTQRINMVNNVTDSSFK NEVLESDLPVMVDFWAEWCG PCKMLIPIIDEISKELQDKV KVLKMNIDENPKTPSEYGIR SIPTIMLFKNGEQKDTKIGL QQKNSLLDWINKSI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15287.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Trx na 30537 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30537 1 2 . PRO . 30537 1 3 . GLY . 30537 1 4 . SER . 30537 1 5 . MET . 30537 1 6 . SER . 30537 1 7 . CYS . 30537 1 8 . TYR . 30537 1 9 . ASN . 30537 1 10 . GLU . 30537 1 11 . ILE . 30537 1 12 . THR . 30537 1 13 . THR . 30537 1 14 . LEU . 30537 1 15 . LEU . 30537 1 16 . GLU . 30537 1 17 . PHE . 30537 1 18 . ASP . 30537 1 19 . SER . 30537 1 20 . ASN . 30537 1 21 . ASP . 30537 1 22 . ILE . 30537 1 23 . ASN . 30537 1 24 . THR . 30537 1 25 . THR . 30537 1 26 . GLN . 30537 1 27 . ARG . 30537 1 28 . ILE . 30537 1 29 . ASN . 30537 1 30 . MET . 30537 1 31 . VAL . 30537 1 32 . ASN . 30537 1 33 . ASN . 30537 1 34 . VAL . 30537 1 35 . THR . 30537 1 36 . ASP . 30537 1 37 . SER . 30537 1 38 . SER . 30537 1 39 . PHE . 30537 1 40 . LYS . 30537 1 41 . ASN . 30537 1 42 . GLU . 30537 1 43 . VAL . 30537 1 44 . LEU . 30537 1 45 . GLU . 30537 1 46 . SER . 30537 1 47 . ASP . 30537 1 48 . LEU . 30537 1 49 . PRO . 30537 1 50 . VAL . 30537 1 51 . MET . 30537 1 52 . VAL . 30537 1 53 . ASP . 30537 1 54 . PHE . 30537 1 55 . TRP . 30537 1 56 . ALA . 30537 1 57 . GLU . 30537 1 58 . TRP . 30537 1 59 . CYS . 30537 1 60 . GLY . 30537 1 61 . PRO . 30537 1 62 . CYS . 30537 1 63 . LYS . 30537 1 64 . MET . 30537 1 65 . LEU . 30537 1 66 . ILE . 30537 1 67 . PRO . 30537 1 68 . ILE . 30537 1 69 . ILE . 30537 1 70 . ASP . 30537 1 71 . GLU . 30537 1 72 . ILE . 30537 1 73 . SER . 30537 1 74 . LYS . 30537 1 75 . GLU . 30537 1 76 . LEU . 30537 1 77 . GLN . 30537 1 78 . ASP . 30537 1 79 . LYS . 30537 1 80 . VAL . 30537 1 81 . LYS . 30537 1 82 . VAL . 30537 1 83 . LEU . 30537 1 84 . LYS . 30537 1 85 . MET . 30537 1 86 . ASN . 30537 1 87 . ILE . 30537 1 88 . ASP . 30537 1 89 . GLU . 30537 1 90 . ASN . 30537 1 91 . PRO . 30537 1 92 . LYS . 30537 1 93 . THR . 30537 1 94 . PRO . 30537 1 95 . SER . 30537 1 96 . GLU . 30537 1 97 . TYR . 30537 1 98 . GLY . 30537 1 99 . ILE . 30537 1 100 . ARG . 30537 1 101 . SER . 30537 1 102 . ILE . 30537 1 103 . PRO . 30537 1 104 . THR . 30537 1 105 . ILE . 30537 1 106 . MET . 30537 1 107 . LEU . 30537 1 108 . PHE . 30537 1 109 . LYS . 30537 1 110 . ASN . 30537 1 111 . GLY . 30537 1 112 . GLU . 30537 1 113 . GLN . 30537 1 114 . LYS . 30537 1 115 . ASP . 30537 1 116 . THR . 30537 1 117 . LYS . 30537 1 118 . ILE . 30537 1 119 . GLY . 30537 1 120 . LEU . 30537 1 121 . GLN . 30537 1 122 . GLN . 30537 1 123 . LYS . 30537 1 124 . ASN . 30537 1 125 . SER . 30537 1 126 . LEU . 30537 1 127 . LEU . 30537 1 128 . ASP . 30537 1 129 . TRP . 30537 1 130 . ILE . 30537 1 131 . ASN . 30537 1 132 . LYS . 30537 1 133 . SER . 30537 1 134 . ILE . 30537 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30537 1 . PRO 2 2 30537 1 . GLY 3 3 30537 1 . SER 4 4 30537 1 . MET 5 5 30537 1 . SER 6 6 30537 1 . CYS 7 7 30537 1 . TYR 8 8 30537 1 . ASN 9 9 30537 1 . GLU 10 10 30537 1 . ILE 11 11 30537 1 . THR 12 12 30537 1 . THR 13 13 30537 1 . LEU 14 14 30537 1 . LEU 15 15 30537 1 . GLU 16 16 30537 1 . PHE 17 17 30537 1 . ASP 18 18 30537 1 . SER 19 19 30537 1 . ASN 20 20 30537 1 . ASP 21 21 30537 1 . ILE 22 22 30537 1 . ASN 23 23 30537 1 . THR 24 24 30537 1 . THR 25 25 30537 1 . GLN 26 26 30537 1 . ARG 27 27 30537 1 . ILE 28 28 30537 1 . ASN 29 29 30537 1 . MET 30 30 30537 1 . VAL 31 31 30537 1 . ASN 32 32 30537 1 . ASN 33 33 30537 1 . VAL 34 34 30537 1 . THR 35 35 30537 1 . ASP 36 36 30537 1 . SER 37 37 30537 1 . SER 38 38 30537 1 . PHE 39 39 30537 1 . LYS 40 40 30537 1 . ASN 41 41 30537 1 . GLU 42 42 30537 1 . VAL 43 43 30537 1 . LEU 44 44 30537 1 . GLU 45 45 30537 1 . SER 46 46 30537 1 . ASP 47 47 30537 1 . LEU 48 48 30537 1 . PRO 49 49 30537 1 . VAL 50 50 30537 1 . MET 51 51 30537 1 . VAL 52 52 30537 1 . ASP 53 53 30537 1 . PHE 54 54 30537 1 . TRP 55 55 30537 1 . ALA 56 56 30537 1 . GLU 57 57 30537 1 . TRP 58 58 30537 1 . CYS 59 59 30537 1 . GLY 60 60 30537 1 . PRO 61 61 30537 1 . CYS 62 62 30537 1 . LYS 63 63 30537 1 . MET 64 64 30537 1 . LEU 65 65 30537 1 . ILE 66 66 30537 1 . PRO 67 67 30537 1 . ILE 68 68 30537 1 . ILE 69 69 30537 1 . ASP 70 70 30537 1 . GLU 71 71 30537 1 . ILE 72 72 30537 1 . SER 73 73 30537 1 . LYS 74 74 30537 1 . GLU 75 75 30537 1 . LEU 76 76 30537 1 . GLN 77 77 30537 1 . ASP 78 78 30537 1 . LYS 79 79 30537 1 . VAL 80 80 30537 1 . LYS 81 81 30537 1 . VAL 82 82 30537 1 . LEU 83 83 30537 1 . LYS 84 84 30537 1 . MET 85 85 30537 1 . ASN 86 86 30537 1 . ILE 87 87 30537 1 . ASP 88 88 30537 1 . GLU 89 89 30537 1 . ASN 90 90 30537 1 . PRO 91 91 30537 1 . LYS 92 92 30537 1 . THR 93 93 30537 1 . PRO 94 94 30537 1 . SER 95 95 30537 1 . GLU 96 96 30537 1 . TYR 97 97 30537 1 . GLY 98 98 30537 1 . ILE 99 99 30537 1 . ARG 100 100 30537 1 . SER 101 101 30537 1 . ILE 102 102 30537 1 . PRO 103 103 30537 1 . THR 104 104 30537 1 . ILE 105 105 30537 1 . MET 106 106 30537 1 . LEU 107 107 30537 1 . PHE 108 108 30537 1 . LYS 109 109 30537 1 . ASN 110 110 30537 1 . GLY 111 111 30537 1 . GLU 112 112 30537 1 . GLN 113 113 30537 1 . LYS 114 114 30537 1 . ASP 115 115 30537 1 . THR 116 116 30537 1 . LYS 117 117 30537 1 . ILE 118 118 30537 1 . GLY 119 119 30537 1 . LEU 120 120 30537 1 . GLN 121 121 30537 1 . GLN 122 122 30537 1 . LYS 123 123 30537 1 . ASN 124 124 30537 1 . SER 125 125 30537 1 . LEU 126 126 30537 1 . LEU 127 127 30537 1 . ASP 128 128 30537 1 . TRP 129 129 30537 1 . ILE 130 130 30537 1 . ASN 131 131 30537 1 . LYS 132 132 30537 1 . SER 133 133 30537 1 . ILE 134 134 30537 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 30537 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 272947 organism . 'Rickettsia prowazekii (strain Madrid E)' 'Rickettsia prowazekii' . . Bacteria . Rickettsia prowazekii 'Madrid E' . . . . . . . . . . 'trxA, RP002' . 30537 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 30537 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 30537 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30537 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.8 mM [U-99% 13C; U-99% 15N] R29, 93% H2O/7% D2O' _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 3 . . . 30537 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 30537 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 30537 1 4 R29 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.2 . . . 30537 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30537 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-10% 13C; U-100% 15N] R29, 93% H2O/7% D2O' _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 3 . . . 30537 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 30537 2 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 30537 2 4 R29 '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30537 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30537 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-99% 15N] R29, 100% D2O' _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 3 . . . 30537 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 30537 3 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 30537 3 4 R29 '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30537 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30537 _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 . M 30537 1 pH 7 0.2 pH 30537 1 pressure 1 . atm 30537 1 temperature 293 0.5 K 30537 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30537 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30537 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30537 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30537 _Software.ID 2 _Software.Type . _Software.Name TALOS _Software.Version + _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30537 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30537 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30537 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30537 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30537 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30537 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version 3.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30537 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30537 4 'peak picking' 30537 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30537 _Software.ID 5 _Software.Type . _Software.Name PSVS _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30537 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30537 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30537 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 30537 _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 NMR_spectrometer_1 Bruker AvanceII . 750 . . . 30537 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 30537 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 10 'DEUTERIUM EXCHANGE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30537 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30537 _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 0.000 internal indirect 0.25144953 . . . . . 30537 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30537 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30537 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30537 _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 $chem_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 '2D 1H-15N HSQC' . . . 30537 1 2 '3D HNCACB' . . . 30537 1 3 '3D HNCA' . . . 30537 1 4 '3D C(CO)NH' . . . 30537 1 5 '3D HNCO' . . . 30537 1 6 '3D HNCACO' . . . 30537 1 7 '3D 1H-13C NOESY aliphatic' . . . 30537 1 8 '3D 1H-13C NOESY aromatic' . . . 30537 1 9 '3D 1H-15N NOESY' . . . 30537 1 10 'DEUTERIUM EXCHANGE' . . . 30537 1 11 '2D 1H-13C HSQC' . . . 30537 1 12 '2D 1H-13C HSQC' . . . 30537 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 MET C C 13 172.7 0.2 . 1 . . . . A 5 MET C . 30537 1 2 . 1 1 5 5 MET CA C 13 52.7 0.2 . 1 . . . . A 5 MET CA . 30537 1 3 . 1 1 5 5 MET CB C 13 30.1 0.2 . 1 . . . . A 5 MET CB . 30537 1 4 . 1 1 5 5 MET CG C 13 29.2 0.2 . 1 . . . . A 5 MET CG . 30537 1 5 . 1 1 6 6 SER H H 1 7.86 0.2 . 1 . . . . A 6 SER H . 30537 1 6 . 1 1 6 6 SER C C 13 175.8 0.2 . 1 . . . . A 6 SER C . 30537 1 7 . 1 1 6 6 SER CA C 13 57.3 0.2 . 1 . . . . A 6 SER CA . 30537 1 8 . 1 1 6 6 SER CB C 13 62.1 0.2 . 1 . . . . A 6 SER CB . 30537 1 9 . 1 1 6 6 SER N N 15 122.2 0.2 . 1 . . . . A 6 SER N . 30537 1 10 . 1 1 11 11 ILE C C 13 173.7 0.2 . 1 . . . . A 11 ILE C . 30537 1 11 . 1 1 11 11 ILE CA C 13 58.3 0.2 . 1 . . . . A 11 ILE CA . 30537 1 12 . 1 1 11 11 ILE CB C 13 35.8 0.2 . 1 . . . . A 11 ILE CB . 30537 1 13 . 1 1 11 11 ILE CG1 C 13 24.4 0.2 . 1 . . . . A 11 ILE CG1 . 30537 1 14 . 1 1 11 11 ILE CG2 C 13 14.7 0.2 . 1 . . . . A 11 ILE CG2 . 30537 1 15 . 1 1 11 11 ILE CD1 C 13 10.0 0.2 . 1 . . . . A 11 ILE CD1 . 30537 1 16 . 1 1 12 12 THR H H 1 8.23 0.02 . 1 . . . . A 12 THR H . 30537 1 17 . 1 1 12 12 THR C C 13 171.2 0.2 . 1 . . . . A 12 THR C . 30537 1 18 . 1 1 12 12 THR CA C 13 58.9 0.2 . 1 . . . . A 12 THR CA . 30537 1 19 . 1 1 12 12 THR CB C 13 67.1 0.2 . 1 . . . . A 12 THR CB . 30537 1 20 . 1 1 12 12 THR CG2 C 13 18.7 0.2 . 1 . . . . A 12 THR CG2 . 30537 1 21 . 1 1 12 12 THR N N 15 119.3 0.2 . 1 . . . . A 12 THR N . 30537 1 22 . 1 1 13 13 THR H H 1 7.76 0.02 . 1 . . . . A 13 THR H . 30537 1 23 . 1 1 13 13 THR C C 13 176.4 0.2 . 1 . . . . A 13 THR C . 30537 1 24 . 1 1 13 13 THR CA C 13 60.5 0.2 . 1 . . . . A 13 THR CA . 30537 1 25 . 1 1 13 13 THR CB C 13 68.0 0.2 . 1 . . . . A 13 THR CB . 30537 1 26 . 1 1 13 13 THR N N 15 121.7 0.2 . 1 . . . . A 13 THR N . 30537 1 27 . 1 1 16 16 GLU C C 13 173.2 0.2 . 1 . . . . A 16 GLU C . 30537 1 28 . 1 1 17 17 PHE H H 1 8.10 0.02 . 1 . . . . A 17 PHE H . 30537 1 29 . 1 1 17 17 PHE C C 13 172.4 0.2 . 1 . . . . A 17 PHE C . 30537 1 30 . 1 1 17 17 PHE CA C 13 54.8 0.2 . 1 . . . . A 17 PHE CA . 30537 1 31 . 1 1 17 17 PHE CB C 13 37.2 0.2 . 1 . . . . A 17 PHE CB . 30537 1 32 . 1 1 17 17 PHE N N 15 120.2 0.2 . 1 . . . . A 17 PHE N . 30537 1 33 . 1 1 18 18 ASP H H 1 8.26 0.02 . 1 . . . . A 18 ASP H . 30537 1 34 . 1 1 18 18 ASP HA H 1 4.51 0.02 . 1 . . . . A 18 ASP HA . 30537 1 35 . 1 1 18 18 ASP HB2 H 1 3.05 0.02 . 2 . . . . A 18 ASP HB2 . 30537 1 36 . 1 1 18 18 ASP HB3 H 1 2.55 0.02 . 2 . . . . A 18 ASP HB3 . 30537 1 37 . 1 1 18 18 ASP C C 13 173.5 0.2 . 1 . . . . A 18 ASP C . 30537 1 38 . 1 1 18 18 ASP CA C 13 51.2 0.2 . 1 . . . . A 18 ASP CA . 30537 1 39 . 1 1 18 18 ASP CB C 13 38.7 0.2 . 1 . . . . A 18 ASP CB . 30537 1 40 . 1 1 18 18 ASP N N 15 122.5 0.2 . 1 . . . . A 18 ASP N . 30537 1 41 . 1 1 19 19 SER H H 1 8.21 0.02 . 1 . . . . A 19 SER H . 30537 1 42 . 1 1 19 19 SER C C 13 171.8 0.2 . 1 . . . . A 19 SER C . 30537 1 43 . 1 1 19 19 SER CA C 13 56.2 0.2 . 1 . . . . A 19 SER CA . 30537 1 44 . 1 1 19 19 SER CB C 13 60.9 0.2 . 1 . . . . A 19 SER CB . 30537 1 45 . 1 1 19 19 SER N N 15 117.1 0.2 . 1 . . . . A 19 SER N . 30537 1 46 . 1 1 20 20 ASN H H 1 8.43 0.02 . 1 . . . . A 20 ASN H . 30537 1 47 . 1 1 20 20 ASN HA H 1 4.58 0.02 . 1 . . . . A 20 ASN HA . 30537 1 48 . 1 1 20 20 ASN C C 13 172.3 0.2 . 1 . . . . A 20 ASN C . 30537 1 49 . 1 1 20 20 ASN CA C 13 50.7 0.2 . 1 . . . . A 20 ASN CA . 30537 1 50 . 1 1 20 20 ASN CB C 13 36.3 0.2 . 1 . . . . A 20 ASN CB . 30537 1 51 . 1 1 20 20 ASN N N 15 120.3 0.2 . 1 . . . . A 20 ASN N . 30537 1 52 . 1 1 21 21 ASP H H 1 8.07 0.02 . 1 . . . . A 21 ASP H . 30537 1 53 . 1 1 21 21 ASP C C 13 173.8 0.2 . 1 . . . . A 21 ASP C . 30537 1 54 . 1 1 21 21 ASP CA C 13 51.6 0.2 . 1 . . . . A 21 ASP CA . 30537 1 55 . 1 1 21 21 ASP CB C 13 38.5 0.2 . 1 . . . . A 21 ASP CB . 30537 1 56 . 1 1 21 21 ASP N N 15 120.5 0.2 . 1 . . . . A 21 ASP N . 30537 1 57 . 1 1 22 22 ILE H H 1 7.95 0.02 . 1 . . . . A 22 ILE H . 30537 1 58 . 1 1 22 22 ILE HA H 1 4.03 0.02 . 1 . . . . A 22 ILE HA . 30537 1 59 . 1 1 22 22 ILE HB H 1 1.78 0.02 . 1 . . . . A 22 ILE HB . 30537 1 60 . 1 1 22 22 ILE HD11 H 1 0.77 0.2 . 1 . . . . A 22 ILE HD11 . 30537 1 61 . 1 1 22 22 ILE HD12 H 1 0.77 0.2 . 1 . . . . A 22 ILE HD12 . 30537 1 62 . 1 1 22 22 ILE HD13 H 1 0.77 0.2 . 1 . . . . A 22 ILE HD13 . 30537 1 63 . 1 1 22 22 ILE C C 13 173.5 0.2 . 1 . . . . A 22 ILE C . 30537 1 64 . 1 1 22 22 ILE CA C 13 59.1 0.2 . 1 . . . . A 22 ILE CA . 30537 1 65 . 1 1 22 22 ILE CB C 13 35.9 0.2 . 1 . . . . A 22 ILE CB . 30537 1 66 . 1 1 22 22 ILE CG1 C 13 24.5 0.2 . 1 . . . . A 22 ILE CG1 . 30537 1 67 . 1 1 22 22 ILE CG2 C 13 14.8 0.2 . 1 . . . . A 22 ILE CG2 . 30537 1 68 . 1 1 22 22 ILE CD1 C 13 10.3 0.2 . 1 . . . . A 22 ILE CD1 . 30537 1 69 . 1 1 22 22 ILE N N 15 120.7 0.2 . 1 . . . . A 22 ILE N . 30537 1 70 . 1 1 23 23 ASN H H 1 8.38 0.02 . 1 . . . . A 23 ASN H . 30537 1 71 . 1 1 23 23 ASN C C 13 173.1 0.2 . 1 . . . . A 23 ASN C . 30537 1 72 . 1 1 23 23 ASN CA C 13 50.9 0.2 . 1 . . . . A 23 ASN CA . 30537 1 73 . 1 1 23 23 ASN CB C 13 36.1 0.2 . 1 . . . . A 23 ASN CB . 30537 1 74 . 1 1 23 23 ASN N N 15 121.3 0.2 . 1 . . . . A 23 ASN N . 30537 1 75 . 1 1 24 24 THR H H 1 7.99 0.02 . 1 . . . . A 24 THR H . 30537 1 76 . 1 1 24 24 THR HA H 1 4.22 0.02 . 1 . . . . A 24 THR HA . 30537 1 77 . 1 1 24 24 THR HB H 1 4.19 0.02 . 1 . . . . A 24 THR HB . 30537 1 78 . 1 1 24 24 THR HG21 H 1 1.10 0.02 . 1 . . . . A 24 THR HG21 . 30537 1 79 . 1 1 24 24 THR HG22 H 1 1.10 0.02 . 1 . . . . A 24 THR HG22 . 30537 1 80 . 1 1 24 24 THR HG23 H 1 1.10 0.02 . 1 . . . . A 24 THR HG23 . 30537 1 81 . 1 1 24 24 THR C C 13 172.4 0.2 . 1 . . . . A 24 THR C . 30537 1 82 . 1 1 24 24 THR CA C 13 59.8 0.2 . 1 . . . . A 24 THR CA . 30537 1 83 . 1 1 24 24 THR CB C 13 66.8 0.2 . 1 . . . . A 24 THR CB . 30537 1 84 . 1 1 24 24 THR CG2 C 13 18.9 0.2 . 1 . . . . A 24 THR CG2 . 30537 1 85 . 1 1 24 24 THR N N 15 114.2 0.2 . 1 . . . . A 24 THR N . 30537 1 86 . 1 1 25 25 THR H H 1 8.02 0.2 . 1 . . . . A 25 THR H . 30537 1 87 . 1 1 25 25 THR C C 13 172.0 0.2 . 1 . . . . A 25 THR C . 30537 1 88 . 1 1 25 25 THR CA C 13 60.0 0.2 . 1 . . . . A 25 THR CA . 30537 1 89 . 1 1 25 25 THR CB C 13 66.8 0.2 . 1 . . . . A 25 THR CB . 30537 1 90 . 1 1 25 25 THR CG2 C 13 18.9 0.2 . 1 . . . . A 25 THR CG2 . 30537 1 91 . 1 1 25 25 THR N N 15 116.0 0.2 . 1 . . . . A 25 THR N . 30537 1 92 . 1 1 26 26 GLN H H 1 8.20 0.02 . 1 . . . . A 26 GLN H . 30537 1 93 . 1 1 26 26 GLN HA H 1 4.20 0.02 . 1 . . . . A 26 GLN HA . 30537 1 94 . 1 1 26 26 GLN HB2 H 1 1.96 0.02 . 2 . . . . A 26 GLN HB2 . 30537 1 95 . 1 1 26 26 GLN HB3 H 1 1.87 0.02 . 2 . . . . A 26 GLN HB3 . 30537 1 96 . 1 1 26 26 GLN HG2 H 1 2.24 0.02 . 2 . . . . A 26 GLN HG2 . 30537 1 97 . 1 1 26 26 GLN HG3 H 1 2.24 0.02 . 2 . . . . A 26 GLN HG3 . 30537 1 98 . 1 1 26 26 GLN C C 13 173.3 0.2 . 1 . . . . A 26 GLN C . 30537 1 99 . 1 1 26 26 GLN CA C 13 53.3 0.2 . 1 . . . . A 26 GLN CA . 30537 1 100 . 1 1 26 26 GLN CB C 13 26.6 0.2 . 1 . . . . A 26 GLN CB . 30537 1 101 . 1 1 26 26 GLN CG C 13 31.0 0.2 . 1 . . . . A 26 GLN CG . 30537 1 102 . 1 1 26 26 GLN N N 15 122.4 0.2 . 1 . . . . A 26 GLN N . 30537 1 103 . 1 1 27 27 ARG H H 1 8.16 0.02 . 1 . . . . A 27 ARG H . 30537 1 104 . 1 1 27 27 ARG C C 13 173.4 0.2 . 1 . . . . A 27 ARG C . 30537 1 105 . 1 1 27 27 ARG CA C 13 53.3 0.2 . 1 . . . . A 27 ARG CA . 30537 1 106 . 1 1 27 27 ARG CB C 13 27.9 0.2 . 1 . . . . A 27 ARG CB . 30537 1 107 . 1 1 27 27 ARG CG C 13 24.3 0.2 . 1 . . . . A 27 ARG CG . 30537 1 108 . 1 1 27 27 ARG CD C 13 40.6 0.2 . 1 . . . . A 27 ARG CD . 30537 1 109 . 1 1 27 27 ARG N N 15 122.1 0.2 . 1 . . . . A 27 ARG N . 30537 1 110 . 1 1 28 28 ILE H H 1 8.10 0.2 . 1 . . . . A 28 ILE H . 30537 1 111 . 1 1 28 28 ILE C C 13 172.9 0.2 . 1 . . . . A 28 ILE C . 30537 1 112 . 1 1 28 28 ILE CA C 13 58.3 0.2 . 1 . . . . A 28 ILE CA . 30537 1 113 . 1 1 28 28 ILE CB C 13 36.3 0.2 . 1 . . . . A 28 ILE CB . 30537 1 114 . 1 1 28 28 ILE CG1 C 13 24.4 0.2 . 1 . . . . A 28 ILE CG1 . 30537 1 115 . 1 1 28 28 ILE CG2 C 13 14.7 0.2 . 1 . . . . A 28 ILE CG2 . 30537 1 116 . 1 1 28 28 ILE CD1 C 13 10.2 0.2 . 1 . . . . A 28 ILE CD1 . 30537 1 117 . 1 1 28 28 ILE N N 15 121.7 0.2 . 1 . . . . A 28 ILE N . 30537 1 118 . 1 1 29 29 ASN H H 1 8.40 0.02 . 1 . . . . A 29 ASN H . 30537 1 119 . 1 1 29 29 ASN HA H 1 4.02 0.02 . 1 . . . . A 29 ASN HA . 30537 1 120 . 1 1 29 29 ASN HB2 H 1 1.72 0.02 . 2 . . . . A 29 ASN HB2 . 30537 1 121 . 1 1 29 29 ASN HB3 H 1 1.72 0.02 . 2 . . . . A 29 ASN HB3 . 30537 1 122 . 1 1 29 29 ASN C C 13 171.8 0.2 . 1 . . . . A 29 ASN C . 30537 1 123 . 1 1 29 29 ASN CA C 13 50.5 0.2 . 1 . . . . A 29 ASN CA . 30537 1 124 . 1 1 29 29 ASN CB C 13 36.1 0.2 . 1 . . . . A 29 ASN CB . 30537 1 125 . 1 1 29 29 ASN N N 15 122.4 0.2 . 1 . . . . A 29 ASN N . 30537 1 126 . 1 1 30 30 MET H H 1 8.18 0.02 . 1 . . . . A 30 MET H . 30537 1 127 . 1 1 30 30 MET HA H 1 4.58 0.02 . 1 . . . . A 30 MET HA . 30537 1 128 . 1 1 30 30 MET C C 13 172.8 0.2 . 1 . . . . A 30 MET C . 30537 1 129 . 1 1 30 30 MET CA C 13 53.4 0.2 . 1 . . . . A 30 MET CA . 30537 1 130 . 1 1 30 30 MET CB C 13 27.9 0.2 . 1 . . . . A 30 MET CB . 30537 1 131 . 1 1 30 30 MET N N 15 121.2 0.2 . 1 . . . . A 30 MET N . 30537 1 132 . 1 1 31 31 VAL H H 1 8.08 0.02 . 1 . . . . A 31 VAL H . 30537 1 133 . 1 1 31 31 VAL HA H 1 3.93 0.02 . 1 . . . . A 31 VAL HA . 30537 1 134 . 1 1 31 31 VAL HB H 1 1.90 0.02 . 1 . . . . A 31 VAL HB . 30537 1 135 . 1 1 31 31 VAL HG11 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG11 . 30537 1 136 . 1 1 31 31 VAL HG12 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG12 . 30537 1 137 . 1 1 31 31 VAL HG13 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG13 . 30537 1 138 . 1 1 31 31 VAL HG21 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG21 . 30537 1 139 . 1 1 31 31 VAL HG22 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG22 . 30537 1 140 . 1 1 31 31 VAL HG23 H 1 0.79 0.02 . 2 . . . . A 31 VAL HG23 . 30537 1 141 . 1 1 31 31 VAL C C 13 172.8 0.2 . 1 . . . . A 31 VAL C . 30537 1 142 . 1 1 31 31 VAL CA C 13 59.9 0.2 . 1 . . . . A 31 VAL CA . 30537 1 143 . 1 1 31 31 VAL CB C 13 29.2 0.2 . 1 . . . . A 31 VAL CB . 30537 1 144 . 1 1 31 31 VAL CG1 C 13 18.8 0.2 . 2 . . . . A 31 VAL CG1 . 30537 1 145 . 1 1 31 31 VAL CG2 C 13 18.8 0.2 . 2 . . . . A 31 VAL CG2 . 30537 1 146 . 1 1 31 31 VAL N N 15 121.3 0.2 . 1 . . . . A 31 VAL N . 30537 1 147 . 1 1 32 32 ASN H H 1 8.43 0.02 . 1 . . . . A 32 ASN H . 30537 1 148 . 1 1 32 32 ASN HA H 1 4.61 0.02 . 1 . . . . A 32 ASN HA . 30537 1 149 . 1 1 32 32 ASN HB2 H 1 2.70 0.02 . 2 . . . . A 32 ASN HB2 . 30537 1 150 . 1 1 32 32 ASN HB3 H 1 2.66 0.02 . 2 . . . . A 32 ASN HB3 . 30537 1 151 . 1 1 32 32 ASN HD21 H 1 7.48 0.02 . 2 . . . . A 32 ASN HD21 . 30537 1 152 . 1 1 32 32 ASN HD22 H 1 6.85 0.02 . 2 . . . . A 32 ASN HD22 . 30537 1 153 . 1 1 32 32 ASN C C 13 171.0 0.2 . 1 . . . . A 32 ASN C . 30537 1 154 . 1 1 32 32 ASN CA C 13 50.4 0.2 . 1 . . . . A 32 ASN CA . 30537 1 155 . 1 1 32 32 ASN CB C 13 36.4 0.2 . 1 . . . . A 32 ASN CB . 30537 1 156 . 1 1 32 32 ASN N N 15 124.5 0.2 . 1 . . . . A 32 ASN N . 30537 1 157 . 1 1 32 32 ASN ND2 N 15 112.3 0.2 . 1 . . . . A 32 ASN ND2 . 30537 1 158 . 1 1 33 33 ASN H H 1 8.20 0.02 . 1 . . . . A 33 ASN H . 30537 1 159 . 1 1 33 33 ASN HA H 1 5.54 0.02 . 1 . . . . A 33 ASN HA . 30537 1 160 . 1 1 33 33 ASN HB2 H 1 2.69 0.02 . 2 . . . . A 33 ASN HB2 . 30537 1 161 . 1 1 33 33 ASN HB3 H 1 2.57 0.02 . 2 . . . . A 33 ASN HB3 . 30537 1 162 . 1 1 33 33 ASN HD21 H 1 7.67 0.02 . 2 . . . . A 33 ASN HD21 . 30537 1 163 . 1 1 33 33 ASN HD22 H 1 7.03 0.02 . 2 . . . . A 33 ASN HD22 . 30537 1 164 . 1 1 33 33 ASN C C 13 171.7 0.2 . 1 . . . . A 33 ASN C . 30537 1 165 . 1 1 33 33 ASN CA C 13 49.7 0.2 . 1 . . . . A 33 ASN CA . 30537 1 166 . 1 1 33 33 ASN CB C 13 37.9 0.2 . 1 . . . . A 33 ASN CB . 30537 1 167 . 1 1 33 33 ASN N N 15 116.8 0.2 . 1 . . . . A 33 ASN N . 30537 1 168 . 1 1 33 33 ASN ND2 N 15 116.2 0.2 . 1 . . . . A 33 ASN ND2 . 30537 1 169 . 1 1 34 34 VAL H H 1 8.76 0.02 . 1 . . . . A 34 VAL H . 30537 1 170 . 1 1 34 34 VAL HA H 1 4.49 0.02 . 1 . . . . A 34 VAL HA . 30537 1 171 . 1 1 34 34 VAL HB H 1 1.73 0.02 . 1 . . . . A 34 VAL HB . 30537 1 172 . 1 1 34 34 VAL HG11 H 1 0.64 0.02 . 1 . . . . A 34 VAL HG11 . 30537 1 173 . 1 1 34 34 VAL HG12 H 1 0.64 0.02 . 1 . . . . A 34 VAL HG12 . 30537 1 174 . 1 1 34 34 VAL HG13 H 1 0.64 0.02 . 1 . . . . A 34 VAL HG13 . 30537 1 175 . 1 1 34 34 VAL HG21 H 1 1.03 0.02 . 1 . . . . A 34 VAL HG21 . 30537 1 176 . 1 1 34 34 VAL HG22 H 1 1.03 0.02 . 1 . . . . A 34 VAL HG22 . 30537 1 177 . 1 1 34 34 VAL HG23 H 1 1.03 0.02 . 1 . . . . A 34 VAL HG23 . 30537 1 178 . 1 1 34 34 VAL C C 13 169.6 0.2 . 1 . . . . A 34 VAL C . 30537 1 179 . 1 1 34 34 VAL CA C 13 56.8 0.2 . 1 . . . . A 34 VAL CA . 30537 1 180 . 1 1 34 34 VAL CB C 13 32.5 0.2 . 1 . . . . A 34 VAL CB . 30537 1 181 . 1 1 34 34 VAL CG1 C 13 17.4 0.2 . 1 . . . . A 34 VAL CG1 . 30537 1 182 . 1 1 34 34 VAL CG2 C 13 20.1 0.2 . 1 . . . . A 34 VAL CG2 . 30537 1 183 . 1 1 34 34 VAL N N 15 121.1 0.2 . 1 . . . . A 34 VAL N . 30537 1 184 . 1 1 35 35 THR H H 1 7.65 0.02 . 1 . . . . A 35 THR H . 30537 1 185 . 1 1 35 35 THR HA H 1 4.49 0.02 . 1 . . . . A 35 THR HA . 30537 1 186 . 1 1 35 35 THR C C 13 172.7 0.2 . 1 . . . . A 35 THR C . 30537 1 187 . 1 1 35 35 THR CA C 13 56.8 0.2 . 1 . . . . A 35 THR CA . 30537 1 188 . 1 1 35 35 THR CB C 13 70.1 0.2 . 1 . . . . A 35 THR CB . 30537 1 189 . 1 1 35 35 THR CG2 C 13 18.6 0.2 . 1 . . . . A 35 THR CG2 . 30537 1 190 . 1 1 35 35 THR N N 15 116.6 0.2 . 1 . . . . A 35 THR N . 30537 1 191 . 1 1 36 36 ASP H H 1 8.74 0.02 . 1 . . . . A 36 ASP H . 30537 1 192 . 1 1 36 36 ASP C C 13 176.0 0.2 . 1 . . . . A 36 ASP C . 30537 1 193 . 1 1 36 36 ASP CA C 13 55.5 0.2 . 1 . . . . A 36 ASP CA . 30537 1 194 . 1 1 36 36 ASP CB C 13 38.2 0.2 . 1 . . . . A 36 ASP CB . 30537 1 195 . 1 1 36 36 ASP N N 15 121.3 0.2 . 1 . . . . A 36 ASP N . 30537 1 196 . 1 1 37 37 SER H H 1 8.32 0.02 . 1 . . . . A 37 SER H . 30537 1 197 . 1 1 37 37 SER HA H 1 4.30 0.02 . 1 . . . . A 37 SER HA . 30537 1 198 . 1 1 37 37 SER HB2 H 1 3.81 0.02 . 2 . . . . A 37 SER HB2 . 30537 1 199 . 1 1 37 37 SER HB3 H 1 3.81 0.02 . 2 . . . . A 37 SER HB3 . 30537 1 200 . 1 1 37 37 SER C C 13 172.8 0.2 . 1 . . . . A 37 SER C . 30537 1 201 . 1 1 37 37 SER CA C 13 58.0 0.2 . 1 . . . . A 37 SER CA . 30537 1 202 . 1 1 37 37 SER CB C 13 60.5 0.2 . 1 . . . . A 37 SER CB . 30537 1 203 . 1 1 37 37 SER N N 15 112.9 0.2 . 1 . . . . A 37 SER N . 30537 1 204 . 1 1 38 38 SER H H 1 7.83 0.02 . 1 . . . . A 38 SER H . 30537 1 205 . 1 1 38 38 SER HA H 1 3.85 0.02 . 1 . . . . A 38 SER HA . 30537 1 206 . 1 1 38 38 SER HB2 H 1 4.27 0.02 . 2 . . . . A 38 SER HB2 . 30537 1 207 . 1 1 38 38 SER HB3 H 1 3.68 0.02 . 2 . . . . A 38 SER HB3 . 30537 1 208 . 1 1 38 38 SER C C 13 171.9 0.2 . 1 . . . . A 38 SER C . 30537 1 209 . 1 1 38 38 SER CA C 13 60.6 0.2 . 1 . . . . A 38 SER CA . 30537 1 210 . 1 1 38 38 SER CB C 13 62.6 0.2 . 1 . . . . A 38 SER CB . 30537 1 211 . 1 1 38 38 SER N N 15 116.6 0.2 . 1 . . . . A 38 SER N . 30537 1 212 . 1 1 39 39 PHE H H 1 7.80 0.02 . 1 . . . . A 39 PHE H . 30537 1 213 . 1 1 39 39 PHE HA H 1 3.52 0.02 . 1 . . . . A 39 PHE HA . 30537 1 214 . 1 1 39 39 PHE HB2 H 1 2.90 0.02 . 2 . . . . A 39 PHE HB2 . 30537 1 215 . 1 1 39 39 PHE HB3 H 1 3.24 0.02 . 2 . . . . A 39 PHE HB3 . 30537 1 216 . 1 1 39 39 PHE HD1 H 1 6.85 0.02 . 3 . . . . A 39 PHE HD1 . 30537 1 217 . 1 1 39 39 PHE HD2 H 1 6.85 0.02 . 3 . . . . A 39 PHE HD2 . 30537 1 218 . 1 1 39 39 PHE HE1 H 1 6.80 0.02 . 3 . . . . A 39 PHE HE1 . 30537 1 219 . 1 1 39 39 PHE HE2 H 1 6.80 0.02 . 3 . . . . A 39 PHE HE2 . 30537 1 220 . 1 1 39 39 PHE C C 13 174.2 0.2 . 1 . . . . A 39 PHE C . 30537 1 221 . 1 1 39 39 PHE CA C 13 60.5 0.2 . 1 . . . . A 39 PHE CA . 30537 1 222 . 1 1 39 39 PHE CB C 13 37.0 0.2 . 1 . . . . A 39 PHE CB . 30537 1 223 . 1 1 39 39 PHE CD1 C 13 129.3 0.2 . 3 . . . . A 39 PHE CD1 . 30537 1 224 . 1 1 39 39 PHE CD2 C 13 129.3 0.2 . 3 . . . . A 39 PHE CD2 . 30537 1 225 . 1 1 39 39 PHE CE1 C 13 128.5 0.2 . 3 . . . . A 39 PHE CE1 . 30537 1 226 . 1 1 39 39 PHE CE2 C 13 128.5 0.2 . 3 . . . . A 39 PHE CE2 . 30537 1 227 . 1 1 39 39 PHE N N 15 124.7 0.2 . 1 . . . . A 39 PHE N . 30537 1 228 . 1 1 40 40 LYS H H 1 8.95 0.02 . 1 . . . . A 40 LYS H . 30537 1 229 . 1 1 40 40 LYS HA H 1 3.60 0.02 . 1 . . . . A 40 LYS HA . 30537 1 230 . 1 1 40 40 LYS HB2 H 1 1.84 0.02 . 2 . . . . A 40 LYS HB2 . 30537 1 231 . 1 1 40 40 LYS HB3 H 1 1.82 0.02 . 2 . . . . A 40 LYS HB3 . 30537 1 232 . 1 1 40 40 LYS C C 13 174.3 0.2 . 1 . . . . A 40 LYS C . 30537 1 233 . 1 1 40 40 LYS CA C 13 58.0 0.2 . 1 . . . . A 40 LYS CA . 30537 1 234 . 1 1 40 40 LYS CB C 13 28.8 0.2 . 1 . . . . A 40 LYS CB . 30537 1 235 . 1 1 40 40 LYS CG C 13 22.1 0.2 . 1 . . . . A 40 LYS CG . 30537 1 236 . 1 1 40 40 LYS CD C 13 26.9 0.2 . 1 . . . . A 40 LYS CD . 30537 1 237 . 1 1 40 40 LYS N N 15 120.1 0.2 . 1 . . . . A 40 LYS N . 30537 1 238 . 1 1 41 41 ASN H H 1 8.04 0.02 . 1 . . . . A 41 ASN H . 30537 1 239 . 1 1 41 41 ASN HA H 1 4.26 0.02 . 1 . . . . A 41 ASN HA . 30537 1 240 . 1 1 41 41 ASN HB2 H 1 2.58 0.02 . 2 . . . . A 41 ASN HB2 . 30537 1 241 . 1 1 41 41 ASN HB3 H 1 2.54 0.02 . 2 . . . . A 41 ASN HB3 . 30537 1 242 . 1 1 41 41 ASN HD21 H 1 7.70 0.02 . 2 . . . . A 41 ASN HD21 . 30537 1 243 . 1 1 41 41 ASN HD22 H 1 6.81 0.02 . 2 . . . . A 41 ASN HD22 . 30537 1 244 . 1 1 41 41 ASN C C 13 174.2 0.2 . 1 . . . . A 41 ASN C . 30537 1 245 . 1 1 41 41 ASN CA C 13 53.4 0.2 . 1 . . . . A 41 ASN CA . 30537 1 246 . 1 1 41 41 ASN CB C 13 36.9 0.2 . 1 . . . . A 41 ASN CB . 30537 1 247 . 1 1 41 41 ASN N N 15 114.0 0.2 . 1 . . . . A 41 ASN N . 30537 1 248 . 1 1 41 41 ASN ND2 N 15 112.2 0.2 . 1 . . . . A 41 ASN ND2 . 30537 1 249 . 1 1 42 42 GLU H H 1 8.36 0.02 . 1 . . . . A 42 GLU H . 30537 1 250 . 1 1 42 42 GLU HA H 1 3.83 0.02 . 1 . . . . A 42 GLU HA . 30537 1 251 . 1 1 42 42 GLU HB2 H 1 1.73 0.02 . 2 . . . . A 42 GLU HB2 . 30537 1 252 . 1 1 42 42 GLU HB3 H 1 1.56 0.02 . 2 . . . . A 42 GLU HB3 . 30537 1 253 . 1 1 42 42 GLU HG2 H 1 2.26 0.02 . 2 . . . . A 42 GLU HG2 . 30537 1 254 . 1 1 42 42 GLU HG3 H 1 2.23 0.02 . 2 . . . . A 42 GLU HG3 . 30537 1 255 . 1 1 42 42 GLU C C 13 174.2 0.2 . 1 . . . . A 42 GLU C . 30537 1 256 . 1 1 42 42 GLU CA C 13 55.2 0.2 . 1 . . . . A 42 GLU CA . 30537 1 257 . 1 1 42 42 GLU CB C 13 28.1 0.2 . 1 . . . . A 42 GLU CB . 30537 1 258 . 1 1 42 42 GLU CG C 13 33.3 0.2 . 1 . . . . A 42 GLU CG . 30537 1 259 . 1 1 42 42 GLU N N 15 113.4 0.2 . 1 . . . . A 42 GLU N . 30537 1 260 . 1 1 43 43 VAL H H 1 7.82 0.02 . 1 . . . . A 43 VAL H . 30537 1 261 . 1 1 43 43 VAL HA H 1 3.69 0.02 . 1 . . . . A 43 VAL HA . 30537 1 262 . 1 1 43 43 VAL HB H 1 0.44 0.02 . 1 . . . . A 43 VAL HB . 30537 1 263 . 1 1 43 43 VAL HG11 H 1 -0.66 0.02 . 1 . . . . A 43 VAL HG11 . 30537 1 264 . 1 1 43 43 VAL HG12 H 1 -0.66 0.02 . 1 . . . . A 43 VAL HG12 . 30537 1 265 . 1 1 43 43 VAL HG13 H 1 -0.66 0.02 . 1 . . . . A 43 VAL HG13 . 30537 1 266 . 1 1 43 43 VAL HG21 H 1 -0.06 0.02 . 1 . . . . A 43 VAL HG21 . 30537 1 267 . 1 1 43 43 VAL HG22 H 1 -0.06 0.02 . 1 . . . . A 43 VAL HG22 . 30537 1 268 . 1 1 43 43 VAL HG23 H 1 -0.06 0.02 . 1 . . . . A 43 VAL HG23 . 30537 1 269 . 1 1 43 43 VAL C C 13 174.3 0.2 . 1 . . . . A 43 VAL C . 30537 1 270 . 1 1 43 43 VAL CA C 13 60.3 0.2 . 1 . . . . A 43 VAL CA . 30537 1 271 . 1 1 43 43 VAL CB C 13 28.7 0.2 . 1 . . . . A 43 VAL CB . 30537 1 272 . 1 1 43 43 VAL CG1 C 13 17.5 0.2 . 1 . . . . A 43 VAL CG1 . 30537 1 273 . 1 1 43 43 VAL CG2 C 13 19.3 0.2 . 1 . . . . A 43 VAL CG2 . 30537 1 274 . 1 1 43 43 VAL N N 15 114.1 0.2 . 1 . . . . A 43 VAL N . 30537 1 275 . 1 1 44 44 LEU H H 1 6.77 0.02 . 1 . . . . A 44 LEU H . 30537 1 276 . 1 1 44 44 LEU HA H 1 3.65 0.02 . 1 . . . . A 44 LEU HA . 30537 1 277 . 1 1 44 44 LEU HB2 H 1 2.20 0.02 . 2 . . . . A 44 LEU HB2 . 30537 1 278 . 1 1 44 44 LEU HB3 H 1 1.47 0.02 . 2 . . . . A 44 LEU HB3 . 30537 1 279 . 1 1 44 44 LEU HG H 1 1.27 0.02 . 1 . . . . A 44 LEU HG . 30537 1 280 . 1 1 44 44 LEU HD11 H 1 1.03 0.02 . 1 . . . . A 44 LEU HD11 . 30537 1 281 . 1 1 44 44 LEU HD12 H 1 1.03 0.02 . 1 . . . . A 44 LEU HD12 . 30537 1 282 . 1 1 44 44 LEU HD13 H 1 1.03 0.02 . 1 . . . . A 44 LEU HD13 . 30537 1 283 . 1 1 44 44 LEU HD21 H 1 0.61 0.02 . 1 . . . . A 44 LEU HD21 . 30537 1 284 . 1 1 44 44 LEU HD22 H 1 0.61 0.02 . 1 . . . . A 44 LEU HD22 . 30537 1 285 . 1 1 44 44 LEU HD23 H 1 0.61 0.02 . 1 . . . . A 44 LEU HD23 . 30537 1 286 . 1 1 44 44 LEU C C 13 176.1 0.2 . 1 . . . . A 44 LEU C . 30537 1 287 . 1 1 44 44 LEU CA C 13 55.2 0.2 . 1 . . . . A 44 LEU CA . 30537 1 288 . 1 1 44 44 LEU CB C 13 36.7 0.2 . 1 . . . . A 44 LEU CB . 30537 1 289 . 1 1 44 44 LEU CG C 13 24.0 0.2 . 1 . . . . A 44 LEU CG . 30537 1 290 . 1 1 44 44 LEU CD1 C 13 22.4 0.2 . 1 . . . . A 44 LEU CD1 . 30537 1 291 . 1 1 44 44 LEU CD2 C 13 18.6 0.2 . 1 . . . . A 44 LEU CD2 . 30537 1 292 . 1 1 44 44 LEU N N 15 116.8 0.2 . 1 . . . . A 44 LEU N . 30537 1 293 . 1 1 45 45 GLU H H 1 7.21 0.02 . 1 . . . . A 45 GLU H . 30537 1 294 . 1 1 45 45 GLU HA H 1 4.20 0.02 . 1 . . . . A 45 GLU HA . 30537 1 295 . 1 1 45 45 GLU HB2 H 1 2.14 0.02 . 2 . . . . A 45 GLU HB2 . 30537 1 296 . 1 1 45 45 GLU HB3 H 1 1.94 0.02 . 2 . . . . A 45 GLU HB3 . 30537 1 297 . 1 1 45 45 GLU HG2 H 1 2.11 0.02 . 2 . . . . A 45 GLU HG2 . 30537 1 298 . 1 1 45 45 GLU HG3 H 1 1.93 0.02 . 2 . . . . A 45 GLU HG3 . 30537 1 299 . 1 1 45 45 GLU C C 13 173.0 0.2 . 1 . . . . A 45 GLU C . 30537 1 300 . 1 1 45 45 GLU CA C 13 52.2 0.2 . 1 . . . . A 45 GLU CA . 30537 1 301 . 1 1 45 45 GLU CB C 13 26.0 0.2 . 1 . . . . A 45 GLU CB . 30537 1 302 . 1 1 45 45 GLU CG C 13 33.4 0.2 . 1 . . . . A 45 GLU CG . 30537 1 303 . 1 1 45 45 GLU N N 15 114.7 0.2 . 1 . . . . A 45 GLU N . 30537 1 304 . 1 1 46 46 SER H H 1 6.22 0.02 . 1 . . . . A 46 SER H . 30537 1 305 . 1 1 46 46 SER HA H 1 4.12 0.02 . 1 . . . . A 46 SER HA . 30537 1 306 . 1 1 46 46 SER HB2 H 1 3.63 0.02 . 2 . . . . A 46 SER HB2 . 30537 1 307 . 1 1 46 46 SER HB3 H 1 3.54 0.02 . 2 . . . . A 46 SER HB3 . 30537 1 308 . 1 1 46 46 SER C C 13 173.8 0.2 . 1 . . . . A 46 SER C . 30537 1 309 . 1 1 46 46 SER CA C 13 55.3 0.2 . 1 . . . . A 46 SER CA . 30537 1 310 . 1 1 46 46 SER CB C 13 61.5 0.2 . 1 . . . . A 46 SER CB . 30537 1 311 . 1 1 46 46 SER N N 15 111.3 0.2 . 1 . . . . A 46 SER N . 30537 1 312 . 1 1 47 47 ASP H H 1 8.77 0.02 . 1 . . . . A 47 ASP H . 30537 1 313 . 1 1 47 47 ASP HA H 1 4.47 0.02 . 1 . . . . A 47 ASP HA . 30537 1 314 . 1 1 47 47 ASP HB2 H 1 2.62 0.02 . 2 . . . . A 47 ASP HB2 . 30537 1 315 . 1 1 47 47 ASP HB3 H 1 2.59 0.02 . 2 . . . . A 47 ASP HB3 . 30537 1 316 . 1 1 47 47 ASP C C 13 173.6 0.2 . 1 . . . . A 47 ASP C . 30537 1 317 . 1 1 47 47 ASP CA C 13 53.0 0.2 . 1 . . . . A 47 ASP CA . 30537 1 318 . 1 1 47 47 ASP CB C 13 37.6 0.2 . 1 . . . . A 47 ASP CB . 30537 1 319 . 1 1 47 47 ASP N N 15 128.9 0.2 . 1 . . . . A 47 ASP N . 30537 1 320 . 1 1 48 48 LEU H H 1 7.66 0.02 . 1 . . . . A 48 LEU H . 30537 1 321 . 1 1 48 48 LEU HA H 1 4.63 0.02 . 1 . . . . A 48 LEU HA . 30537 1 322 . 1 1 48 48 LEU HB2 H 1 1.40 0.02 . 2 . . . . A 48 LEU HB2 . 30537 1 323 . 1 1 48 48 LEU HB3 H 1 1.25 0.02 . 2 . . . . A 48 LEU HB3 . 30537 1 324 . 1 1 48 48 LEU C C 13 173.3 0.2 . 1 . . . . A 48 LEU C . 30537 1 325 . 1 1 48 48 LEU CA C 13 50.0 0.2 . 1 . . . . A 48 LEU CA . 30537 1 326 . 1 1 48 48 LEU CB C 13 40.0 0.2 . 1 . . . . A 48 LEU CB . 30537 1 327 . 1 1 48 48 LEU N N 15 120.6 0.2 . 1 . . . . A 48 LEU N . 30537 1 328 . 1 1 49 49 PRO HA H 1 4.69 0.02 . 1 . . . . A 49 PRO HA . 30537 1 329 . 1 1 49 49 PRO HB2 H 1 1.72 0.02 . 2 . . . . A 49 PRO HB2 . 30537 1 330 . 1 1 49 49 PRO HB3 H 1 2.11 0.02 . 2 . . . . A 49 PRO HB3 . 30537 1 331 . 1 1 49 49 PRO HG2 H 1 1.92 0.02 . 2 . . . . A 49 PRO HG2 . 30537 1 332 . 1 1 49 49 PRO HG3 H 1 2.17 0.02 . 2 . . . . A 49 PRO HG3 . 30537 1 333 . 1 1 49 49 PRO HD2 H 1 3.82 0.02 . 2 . . . . A 49 PRO HD2 . 30537 1 334 . 1 1 49 49 PRO HD3 H 1 3.94 0.02 . 2 . . . . A 49 PRO HD3 . 30537 1 335 . 1 1 49 49 PRO C C 13 171.0 0.2 . 1 . . . . A 49 PRO C . 30537 1 336 . 1 1 49 49 PRO CA C 13 60.6 0.2 . 1 . . . . A 49 PRO CA . 30537 1 337 . 1 1 49 49 PRO CB C 13 29.5 0.2 . 1 . . . . A 49 PRO CB . 30537 1 338 . 1 1 49 49 PRO CG C 13 25.8 0.2 . 1 . . . . A 49 PRO CG . 30537 1 339 . 1 1 49 49 PRO CD C 13 47.6 0.2 . 1 . . . . A 49 PRO CD . 30537 1 340 . 1 1 50 50 VAL H H 1 8.79 0.02 . 1 . . . . A 50 VAL H . 30537 1 341 . 1 1 50 50 VAL HA H 1 5.12 0.02 . 1 . . . . A 50 VAL HA . 30537 1 342 . 1 1 50 50 VAL HB H 1 1.76 0.02 . 1 . . . . A 50 VAL HB . 30537 1 343 . 1 1 50 50 VAL HG11 H 1 0.70 0.02 . 1 . . . . A 50 VAL HG11 . 30537 1 344 . 1 1 50 50 VAL HG12 H 1 0.70 0.02 . 1 . . . . A 50 VAL HG12 . 30537 1 345 . 1 1 50 50 VAL HG13 H 1 0.70 0.02 . 1 . . . . A 50 VAL HG13 . 30537 1 346 . 1 1 50 50 VAL HG21 H 1 1.05 0.02 . 1 . . . . A 50 VAL HG21 . 30537 1 347 . 1 1 50 50 VAL HG22 H 1 1.05 0.02 . 1 . . . . A 50 VAL HG22 . 30537 1 348 . 1 1 50 50 VAL HG23 H 1 1.05 0.02 . 1 . . . . A 50 VAL HG23 . 30537 1 349 . 1 1 50 50 VAL C C 13 171.8 0.2 . 1 . . . . A 50 VAL C . 30537 1 350 . 1 1 50 50 VAL CA C 13 57.1 0.2 . 1 . . . . A 50 VAL CA . 30537 1 351 . 1 1 50 50 VAL CB C 13 33.2 0.2 . 1 . . . . A 50 VAL CB . 30537 1 352 . 1 1 50 50 VAL CG1 C 13 20.3 0.2 . 1 . . . . A 50 VAL CG1 . 30537 1 353 . 1 1 50 50 VAL CG2 C 13 19.6 0.2 . 1 . . . . A 50 VAL CG2 . 30537 1 354 . 1 1 50 50 VAL N N 15 119.9 0.2 . 1 . . . . A 50 VAL N . 30537 1 355 . 1 1 51 51 MET H H 1 9.19 0.02 . 1 . . . . A 51 MET H . 30537 1 356 . 1 1 51 51 MET HA H 1 5.24 0.02 . 1 . . . . A 51 MET HA . 30537 1 357 . 1 1 51 51 MET HB2 H 1 1.97 0.02 . 2 . . . . A 51 MET HB2 . 30537 1 358 . 1 1 51 51 MET HB3 H 1 1.49 0.02 . 2 . . . . A 51 MET HB3 . 30537 1 359 . 1 1 51 51 MET HG2 H 1 2.25 0.02 . 2 . . . . A 51 MET HG2 . 30537 1 360 . 1 1 51 51 MET HG3 H 1 1.99 0.02 . 2 . . . . A 51 MET HG3 . 30537 1 361 . 1 1 51 51 MET C C 13 171.0 0.2 . 1 . . . . A 51 MET C . 30537 1 362 . 1 1 51 51 MET CA C 13 51.1 0.2 . 1 . . . . A 51 MET CA . 30537 1 363 . 1 1 51 51 MET CB C 13 34.9 0.2 . 1 . . . . A 51 MET CB . 30537 1 364 . 1 1 51 51 MET CG C 13 30.0 0.2 . 1 . . . . A 51 MET CG . 30537 1 365 . 1 1 51 51 MET N N 15 127.4 0.2 . 1 . . . . A 51 MET N . 30537 1 366 . 1 1 52 52 VAL H H 1 9.34 0.02 . 1 . . . . A 52 VAL H . 30537 1 367 . 1 1 52 52 VAL HA H 1 4.55 0.02 . 1 . . . . A 52 VAL HA . 30537 1 368 . 1 1 52 52 VAL HB H 1 1.82 0.02 . 1 . . . . A 52 VAL HB . 30537 1 369 . 1 1 52 52 VAL HG11 H 1 -0.11 0.02 . 1 . . . . A 52 VAL HG11 . 30537 1 370 . 1 1 52 52 VAL HG12 H 1 -0.11 0.02 . 1 . . . . A 52 VAL HG12 . 30537 1 371 . 1 1 52 52 VAL HG13 H 1 -0.11 0.02 . 1 . . . . A 52 VAL HG13 . 30537 1 372 . 1 1 52 52 VAL HG21 H 1 0.66 0.02 . 2 . . . . A 52 VAL HG21 . 30537 1 373 . 1 1 52 52 VAL HG22 H 1 0.66 0.02 . 2 . . . . A 52 VAL HG22 . 30537 1 374 . 1 1 52 52 VAL HG23 H 1 0.66 0.02 . 2 . . . . A 52 VAL HG23 . 30537 1 375 . 1 1 52 52 VAL C C 13 171.5 0.2 . 1 . . . . A 52 VAL C . 30537 1 376 . 1 1 52 52 VAL CA C 13 58.0 0.2 . 1 . . . . A 52 VAL CA . 30537 1 377 . 1 1 52 52 VAL CB C 13 31.6 0.2 . 1 . . . . A 52 VAL CB . 30537 1 378 . 1 1 52 52 VAL CG1 C 13 18.8 0.2 . 1 . . . . A 52 VAL CG1 . 30537 1 379 . 1 1 52 52 VAL CG2 C 13 20.3 0.2 . 1 . . . . A 52 VAL CG2 . 30537 1 380 . 1 1 52 52 VAL N N 15 124.9 0.2 . 1 . . . . A 52 VAL N . 30537 1 381 . 1 1 53 53 ASP H H 1 8.72 0.02 . 1 . . . . A 53 ASP H . 30537 1 382 . 1 1 53 53 ASP HA H 1 5.06 0.02 . 1 . . . . A 53 ASP HA . 30537 1 383 . 1 1 53 53 ASP HB2 H 1 2.73 0.02 . 2 . . . . A 53 ASP HB2 . 30537 1 384 . 1 1 53 53 ASP HB3 H 1 2.19 0.02 . 2 . . . . A 53 ASP HB3 . 30537 1 385 . 1 1 53 53 ASP C C 13 171.4 0.2 . 1 . . . . A 53 ASP C . 30537 1 386 . 1 1 53 53 ASP CA C 13 48.9 0.2 . 1 . . . . A 53 ASP CA . 30537 1 387 . 1 1 53 53 ASP CB C 13 36.3 0.2 . 1 . . . . A 53 ASP CB . 30537 1 388 . 1 1 53 53 ASP N N 15 124.1 0.2 . 1 . . . . A 53 ASP N . 30537 1 389 . 1 1 54 54 PHE H H 1 9.42 0.02 . 1 . . . . A 54 PHE H . 30537 1 390 . 1 1 54 54 PHE HA H 1 5.34 0.02 . 1 . . . . A 54 PHE HA . 30537 1 391 . 1 1 54 54 PHE HB2 H 1 2.65 0.02 . 2 . . . . A 54 PHE HB2 . 30537 1 392 . 1 1 54 54 PHE HB3 H 1 3.19 0.02 . 2 . . . . A 54 PHE HB3 . 30537 1 393 . 1 1 54 54 PHE C C 13 171.9 0.2 . 1 . . . . A 54 PHE C . 30537 1 394 . 1 1 54 54 PHE CA C 13 55.7 0.2 . 1 . . . . A 54 PHE CA . 30537 1 395 . 1 1 54 54 PHE CB C 13 36.4 0.2 . 1 . . . . A 54 PHE CB . 30537 1 396 . 1 1 54 54 PHE N N 15 128.0 0.2 . 1 . . . . A 54 PHE N . 30537 1 397 . 1 1 55 55 TRP H H 1 8.72 0.02 . 1 . . . . A 55 TRP H . 30537 1 398 . 1 1 55 55 TRP HA H 1 5.18 0.02 . 1 . . . . A 55 TRP HA . 30537 1 399 . 1 1 55 55 TRP HB2 H 1 2.93 0.02 . 2 . . . . A 55 TRP HB2 . 30537 1 400 . 1 1 55 55 TRP HB3 H 1 3.10 0.02 . 2 . . . . A 55 TRP HB3 . 30537 1 401 . 1 1 55 55 TRP HD1 H 1 7.13 0.02 . 1 . . . . A 55 TRP HD1 . 30537 1 402 . 1 1 55 55 TRP HE1 H 1 10.54 0.02 . 1 . . . . A 55 TRP HE1 . 30537 1 403 . 1 1 55 55 TRP HZ2 H 1 7.52 0.02 . 1 . . . . A 55 TRP HZ2 . 30537 1 404 . 1 1 55 55 TRP C C 13 168.8 0.2 . 1 . . . . A 55 TRP C . 30537 1 405 . 1 1 55 55 TRP CA C 13 52.4 0.2 . 1 . . . . A 55 TRP CA . 30537 1 406 . 1 1 55 55 TRP CB C 13 31.0 0.2 . 1 . . . . A 55 TRP CB . 30537 1 407 . 1 1 55 55 TRP CD1 C 13 123.8 0.2 . 1 . . . . A 55 TRP CD1 . 30537 1 408 . 1 1 55 55 TRP CZ2 C 13 111.6 0.2 . 1 . . . . A 55 TRP CZ2 . 30537 1 409 . 1 1 55 55 TRP N N 15 121.3 0.2 . 1 . . . . A 55 TRP N . 30537 1 410 . 1 1 55 55 TRP NE1 N 15 130.5 0.2 . 1 . . . . A 55 TRP NE1 . 30537 1 411 . 1 1 56 56 ALA H H 1 6.94 0.02 . 1 . . . . A 56 ALA H . 30537 1 412 . 1 1 56 56 ALA HA H 1 3.30 0.02 . 1 . . . . A 56 ALA HA . 30537 1 413 . 1 1 56 56 ALA HB1 H 1 0.40 0.02 . 1 . . . . A 56 ALA HB1 . 30537 1 414 . 1 1 56 56 ALA HB2 H 1 0.40 0.02 . 1 . . . . A 56 ALA HB2 . 30537 1 415 . 1 1 56 56 ALA HB3 H 1 0.40 0.02 . 1 . . . . A 56 ALA HB3 . 30537 1 416 . 1 1 56 56 ALA C C 13 175.1 0.2 . 1 . . . . A 56 ALA C . 30537 1 417 . 1 1 56 56 ALA CA C 13 49.1 0.2 . 1 . . . . A 56 ALA CA . 30537 1 418 . 1 1 56 56 ALA CB C 13 19.3 0.2 . 1 . . . . A 56 ALA CB . 30537 1 419 . 1 1 56 56 ALA N N 15 117.8 0.2 . 1 . . . . A 56 ALA N . 30537 1 420 . 1 1 57 57 GLU H H 1 8.85 0.02 . 1 . . . . A 57 GLU H . 30537 1 421 . 1 1 57 57 GLU HA H 1 3.95 0.02 . 1 . . . . A 57 GLU HA . 30537 1 422 . 1 1 57 57 GLU HB2 H 1 1.95 0.02 . 2 . . . . A 57 GLU HB2 . 30537 1 423 . 1 1 57 57 GLU HB3 H 1 1.95 0.02 . 2 . . . . A 57 GLU HB3 . 30537 1 424 . 1 1 57 57 GLU C C 13 173.2 0.2 . 1 . . . . A 57 GLU C . 30537 1 425 . 1 1 57 57 GLU CA C 13 56.1 0.2 . 1 . . . . A 57 GLU CA . 30537 1 426 . 1 1 57 57 GLU CB C 13 27.5 0.2 . 1 . . . . A 57 GLU CB . 30537 1 427 . 1 1 57 57 GLU CG C 13 33.2 0.2 . 1 . . . . A 57 GLU CG . 30537 1 428 . 1 1 57 57 GLU N N 15 120.5 0.2 . 1 . . . . A 57 GLU N . 30537 1 429 . 1 1 58 58 TRP H H 1 6.58 0.2 . 1 . . . . A 58 TRP H . 30537 1 430 . 1 1 58 58 TRP HA H 1 4.38 0.02 . 1 . . . . A 58 TRP HA . 30537 1 431 . 1 1 58 58 TRP HB2 H 1 3.09 0.02 . 2 . . . . A 58 TRP HB2 . 30537 1 432 . 1 1 58 58 TRP HB3 H 1 3.56 0.02 . 2 . . . . A 58 TRP HB3 . 30537 1 433 . 1 1 58 58 TRP HD1 H 1 7.35 0.02 . 1 . . . . A 58 TRP HD1 . 30537 1 434 . 1 1 58 58 TRP HE1 H 1 11.41 0.02 . 1 . . . . A 58 TRP HE1 . 30537 1 435 . 1 1 58 58 TRP HZ2 H 1 7.28 0.02 . 1 . . . . A 58 TRP HZ2 . 30537 1 436 . 1 1 58 58 TRP C C 13 172.8 0.2 . 1 . . . . A 58 TRP C . 30537 1 437 . 1 1 58 58 TRP CA C 13 51.7 0.2 . 1 . . . . A 58 TRP CA . 30537 1 438 . 1 1 58 58 TRP CB C 13 26.0 0.2 . 1 . . . . A 58 TRP CB . 30537 1 439 . 1 1 58 58 TRP CD1 C 13 126.3 0.2 . 1 . . . . A 58 TRP CD1 . 30537 1 440 . 1 1 58 58 TRP CZ2 C 13 112.3 0.2 . 1 . . . . A 58 TRP CZ2 . 30537 1 441 . 1 1 58 58 TRP N N 15 110.8 0.2 . 1 . . . . A 58 TRP N . 30537 1 442 . 1 1 58 58 TRP NE1 N 15 136.0 0.2 . 1 . . . . A 58 TRP NE1 . 30537 1 443 . 1 1 59 59 CYS H H 1 6.39 0.02 . 1 . . . . A 59 CYS H . 30537 1 444 . 1 1 59 59 CYS C C 13 172.5 0.2 . 1 . . . . A 59 CYS C . 30537 1 445 . 1 1 59 59 CYS N N 15 122.0 0.2 . 1 . . . . A 59 CYS N . 30537 1 446 . 1 1 62 62 CYS HA H 1 3.94 0.02 . 1 . . . . A 62 CYS HA . 30537 1 447 . 1 1 62 62 CYS HB2 H 1 3.14 0.02 . 2 . . . . A 62 CYS HB2 . 30537 1 448 . 1 1 62 62 CYS HB3 H 1 3.68 0.02 . 2 . . . . A 62 CYS HB3 . 30537 1 449 . 1 1 62 62 CYS C C 13 175.2 0.2 . 1 . . . . A 62 CYS C . 30537 1 450 . 1 1 62 62 CYS CA C 13 61.4 0.2 . 1 . . . . A 62 CYS CA . 30537 1 451 . 1 1 62 62 CYS CB C 13 25.4 0.2 . 1 . . . . A 62 CYS CB . 30537 1 452 . 1 1 63 63 LYS HA H 1 3.89 0.02 . 1 . . . . A 63 LYS HA . 30537 1 453 . 1 1 63 63 LYS HB2 H 1 1.99 0.02 . 2 . . . . A 63 LYS HB2 . 30537 1 454 . 1 1 63 63 LYS HB3 H 1 1.83 0.02 . 2 . . . . A 63 LYS HB3 . 30537 1 455 . 1 1 63 63 LYS HG2 H 1 1.55 0.02 . 2 . . . . A 63 LYS HG2 . 30537 1 456 . 1 1 63 63 LYS HG3 H 1 1.42 0.02 . 2 . . . . A 63 LYS HG3 . 30537 1 457 . 1 1 63 63 LYS C C 13 176.8 0.2 . 1 . . . . A 63 LYS C . 30537 1 458 . 1 1 63 63 LYS CA C 13 56.5 0.2 . 1 . . . . A 63 LYS CA . 30537 1 459 . 1 1 63 63 LYS CB C 13 28.6 0.2 . 1 . . . . A 63 LYS CB . 30537 1 460 . 1 1 63 63 LYS CG C 13 22.4 0.2 . 1 . . . . A 63 LYS CG . 30537 1 461 . 1 1 64 64 MET HA H 1 4.13 0.2 . 1 . . . . A 64 MET HA . 30537 1 462 . 1 1 64 64 MET HB2 H 1 2.59 0.02 . 2 . . . . A 64 MET HB2 . 30537 1 463 . 1 1 64 64 MET HB3 H 1 2.49 0.02 . 2 . . . . A 64 MET HB3 . 30537 1 464 . 1 1 64 64 MET C C 13 174.6 0.2 . 1 . . . . A 64 MET C . 30537 1 465 . 1 1 64 64 MET CA C 13 54.6 0.2 . 1 . . . . A 64 MET CA . 30537 1 466 . 1 1 64 64 MET CB C 13 29.6 0.2 . 1 . . . . A 64 MET CB . 30537 1 467 . 1 1 65 65 LEU HA H 1 4.11 0.02 . 1 . . . . A 65 LEU HA . 30537 1 468 . 1 1 65 65 LEU HB2 H 1 1.60 0.02 . 2 . . . . A 65 LEU HB2 . 30537 1 469 . 1 1 65 65 LEU HB3 H 1 1.53 0.02 . 2 . . . . A 65 LEU HB3 . 30537 1 470 . 1 1 65 65 LEU C C 13 174.8 0.2 . 1 . . . . A 65 LEU C . 30537 1 471 . 1 1 65 65 LEU CA C 13 52.7 0.2 . 1 . . . . A 65 LEU CA . 30537 1 472 . 1 1 65 65 LEU CB C 13 40.5 0.2 . 1 . . . . A 65 LEU CB . 30537 1 473 . 1 1 66 66 ILE H H 1 7.03 0.02 . 1 . . . . A 66 ILE H . 30537 1 474 . 1 1 66 66 ILE HA H 1 3.38 0.02 . 1 . . . . A 66 ILE HA . 30537 1 475 . 1 1 66 66 ILE HB H 1 1.84 0.02 . 1 . . . . A 66 ILE HB . 30537 1 476 . 1 1 66 66 ILE HG12 H 1 1.33 0.02 . 2 . . . . A 66 ILE HG12 . 30537 1 477 . 1 1 66 66 ILE HG13 H 1 0.64 0.02 . 2 . . . . A 66 ILE HG13 . 30537 1 478 . 1 1 66 66 ILE HG21 H 1 0.59 0.02 . 1 . . . . A 66 ILE HG21 . 30537 1 479 . 1 1 66 66 ILE HG22 H 1 0.59 0.02 . 1 . . . . A 66 ILE HG22 . 30537 1 480 . 1 1 66 66 ILE HG23 H 1 0.59 0.02 . 1 . . . . A 66 ILE HG23 . 30537 1 481 . 1 1 66 66 ILE HD11 H 1 0.10 0.02 . 1 . . . . A 66 ILE HD11 . 30537 1 482 . 1 1 66 66 ILE HD12 H 1 0.10 0.02 . 1 . . . . A 66 ILE HD12 . 30537 1 483 . 1 1 66 66 ILE HD13 H 1 0.10 0.02 . 1 . . . . A 66 ILE HD13 . 30537 1 484 . 1 1 66 66 ILE C C 13 171.6 0.2 . 1 . . . . A 66 ILE C . 30537 1 485 . 1 1 66 66 ILE CA C 13 63.9 0.2 . 1 . . . . A 66 ILE CA . 30537 1 486 . 1 1 66 66 ILE CB C 13 32.3 0.2 . 1 . . . . A 66 ILE CB . 30537 1 487 . 1 1 66 66 ILE CG1 C 13 26.1 0.2 . 1 . . . . A 66 ILE CG1 . 30537 1 488 . 1 1 66 66 ILE CG2 C 13 14.2 0.2 . 1 . . . . A 66 ILE CG2 . 30537 1 489 . 1 1 66 66 ILE CD1 C 13 8.6 0.2 . 1 . . . . A 66 ILE CD1 . 30537 1 490 . 1 1 66 66 ILE N N 15 119.0 0.2 . 1 . . . . A 66 ILE N . 30537 1 491 . 1 1 67 67 PRO HA H 1 4.30 0.02 . 1 . . . . A 67 PRO HA . 30537 1 492 . 1 1 67 67 PRO HB2 H 1 1.78 0.02 . 2 . . . . A 67 PRO HB2 . 30537 1 493 . 1 1 67 67 PRO HB3 H 1 2.21 0.02 . 2 . . . . A 67 PRO HB3 . 30537 1 494 . 1 1 67 67 PRO HG2 H 1 1.90 0.02 . 2 . . . . A 67 PRO HG2 . 30537 1 495 . 1 1 67 67 PRO HG3 H 1 1.90 0.02 . 2 . . . . A 67 PRO HG3 . 30537 1 496 . 1 1 67 67 PRO HD2 H 1 3.38 0.02 . 2 . . . . A 67 PRO HD2 . 30537 1 497 . 1 1 67 67 PRO HD3 H 1 3.68 0.02 . 2 . . . . A 67 PRO HD3 . 30537 1 498 . 1 1 67 67 PRO C C 13 176.5 0.2 . 1 . . . . A 67 PRO C . 30537 1 499 . 1 1 67 67 PRO CA C 13 62.8 0.2 . 1 . . . . A 67 PRO CA . 30537 1 500 . 1 1 67 67 PRO CB C 13 28.1 0.2 . 1 . . . . A 67 PRO CB . 30537 1 501 . 1 1 67 67 PRO CG C 13 25.6 0.2 . 1 . . . . A 67 PRO CG . 30537 1 502 . 1 1 67 67 PRO CD C 13 46.9 0.2 . 1 . . . . A 67 PRO CD . 30537 1 503 . 1 1 68 68 ILE H H 1 6.53 0.02 . 1 . . . . A 68 ILE H . 30537 1 504 . 1 1 68 68 ILE HA H 1 3.66 0.02 . 1 . . . . A 68 ILE HA . 30537 1 505 . 1 1 68 68 ILE HB H 1 1.96 0.02 . 1 . . . . A 68 ILE HB . 30537 1 506 . 1 1 68 68 ILE HG12 H 1 1.64 0.02 . 2 . . . . A 68 ILE HG12 . 30537 1 507 . 1 1 68 68 ILE HG13 H 1 1.10 0.02 . 2 . . . . A 68 ILE HG13 . 30537 1 508 . 1 1 68 68 ILE HG21 H 1 0.67 0.02 . 1 . . . . A 68 ILE HG21 . 30537 1 509 . 1 1 68 68 ILE HG22 H 1 0.67 0.02 . 1 . . . . A 68 ILE HG22 . 30537 1 510 . 1 1 68 68 ILE HG23 H 1 0.67 0.02 . 1 . . . . A 68 ILE HG23 . 30537 1 511 . 1 1 68 68 ILE HD11 H 1 0.95 0.02 . 1 . . . . A 68 ILE HD11 . 30537 1 512 . 1 1 68 68 ILE HD12 H 1 0.95 0.02 . 1 . . . . A 68 ILE HD12 . 30537 1 513 . 1 1 68 68 ILE HD13 H 1 0.95 0.02 . 1 . . . . A 68 ILE HD13 . 30537 1 514 . 1 1 68 68 ILE C C 13 174.9 0.2 . 1 . . . . A 68 ILE C . 30537 1 515 . 1 1 68 68 ILE CA C 13 61.9 0.2 . 1 . . . . A 68 ILE CA . 30537 1 516 . 1 1 68 68 ILE CB C 13 35.6 0.2 . 1 . . . . A 68 ILE CB . 30537 1 517 . 1 1 68 68 ILE CG1 C 13 26.5 0.2 . 1 . . . . A 68 ILE CG1 . 30537 1 518 . 1 1 68 68 ILE CG2 C 13 14.4 0.2 . 1 . . . . A 68 ILE CG2 . 30537 1 519 . 1 1 68 68 ILE CD1 C 13 10.9 0.2 . 1 . . . . A 68 ILE CD1 . 30537 1 520 . 1 1 68 68 ILE N N 15 117.8 0.2 . 1 . . . . A 68 ILE N . 30537 1 521 . 1 1 69 69 ILE H H 1 7.98 0.02 . 1 . . . . A 69 ILE H . 30537 1 522 . 1 1 69 69 ILE HA H 1 3.55 0.02 . 1 . . . . A 69 ILE HA . 30537 1 523 . 1 1 69 69 ILE HB H 1 1.94 0.02 . 1 . . . . A 69 ILE HB . 30537 1 524 . 1 1 69 69 ILE HG12 H 1 1.34 0.02 . 2 . . . . A 69 ILE HG12 . 30537 1 525 . 1 1 69 69 ILE HG13 H 1 1.21 0.02 . 2 . . . . A 69 ILE HG13 . 30537 1 526 . 1 1 69 69 ILE HG21 H 1 0.63 0.02 . 1 . . . . A 69 ILE HG21 . 30537 1 527 . 1 1 69 69 ILE HG22 H 1 0.63 0.02 . 1 . . . . A 69 ILE HG22 . 30537 1 528 . 1 1 69 69 ILE HG23 H 1 0.63 0.02 . 1 . . . . A 69 ILE HG23 . 30537 1 529 . 1 1 69 69 ILE HD11 H 1 0.48 0.02 . 1 . . . . A 69 ILE HD11 . 30537 1 530 . 1 1 69 69 ILE HD12 H 1 0.48 0.02 . 1 . . . . A 69 ILE HD12 . 30537 1 531 . 1 1 69 69 ILE HD13 H 1 0.48 0.02 . 1 . . . . A 69 ILE HD13 . 30537 1 532 . 1 1 69 69 ILE C C 13 175.3 0.2 . 1 . . . . A 69 ILE C . 30537 1 533 . 1 1 69 69 ILE CA C 13 60.3 0.2 . 1 . . . . A 69 ILE CA . 30537 1 534 . 1 1 69 69 ILE CB C 13 32.9 0.2 . 1 . . . . A 69 ILE CB . 30537 1 535 . 1 1 69 69 ILE CG1 C 13 24.3 0.2 . 1 . . . . A 69 ILE CG1 . 30537 1 536 . 1 1 69 69 ILE CG2 C 13 15.2 0.2 . 1 . . . . A 69 ILE CG2 . 30537 1 537 . 1 1 69 69 ILE CD1 C 13 7.9 0.2 . 1 . . . . A 69 ILE CD1 . 30537 1 538 . 1 1 69 69 ILE N N 15 118.7 0.2 . 1 . . . . A 69 ILE N . 30537 1 539 . 1 1 70 70 ASP H H 1 8.17 0.02 . 1 . . . . A 70 ASP H . 30537 1 540 . 1 1 70 70 ASP HA H 1 4.17 0.02 . 1 . . . . A 70 ASP HA . 30537 1 541 . 1 1 70 70 ASP HB2 H 1 2.55 0.02 . 2 . . . . A 70 ASP HB2 . 30537 1 542 . 1 1 70 70 ASP HB3 H 1 2.49 0.02 . 2 . . . . A 70 ASP HB3 . 30537 1 543 . 1 1 70 70 ASP C C 13 176.6 0.2 . 1 . . . . A 70 ASP C . 30537 1 544 . 1 1 70 70 ASP CA C 13 55.0 0.2 . 1 . . . . A 70 ASP CA . 30537 1 545 . 1 1 70 70 ASP CB C 13 37.8 0.2 . 1 . . . . A 70 ASP CB . 30537 1 546 . 1 1 70 70 ASP N N 15 121.6 0.2 . 1 . . . . A 70 ASP N . 30537 1 547 . 1 1 71 71 GLU H H 1 7.65 0.02 . 1 . . . . A 71 GLU H . 30537 1 548 . 1 1 71 71 GLU HA H 1 3.93 0.02 . 1 . . . . A 71 GLU HA . 30537 1 549 . 1 1 71 71 GLU HB2 H 1 2.13 0.02 . 2 . . . . A 71 GLU HB2 . 30537 1 550 . 1 1 71 71 GLU HB3 H 1 1.90 0.02 . 2 . . . . A 71 GLU HB3 . 30537 1 551 . 1 1 71 71 GLU HG2 H 1 2.46 0.02 . 2 . . . . A 71 GLU HG2 . 30537 1 552 . 1 1 71 71 GLU HG3 H 1 2.13 0.02 . 2 . . . . A 71 GLU HG3 . 30537 1 553 . 1 1 71 71 GLU C C 13 176.8 0.2 . 1 . . . . A 71 GLU C . 30537 1 554 . 1 1 71 71 GLU CA C 13 57.3 0.2 . 1 . . . . A 71 GLU CA . 30537 1 555 . 1 1 71 71 GLU CB C 13 27.0 0.2 . 1 . . . . A 71 GLU CB . 30537 1 556 . 1 1 71 71 GLU CG C 13 34.0 0.2 . 1 . . . . A 71 GLU CG . 30537 1 557 . 1 1 71 71 GLU N N 15 120.1 0.2 . 1 . . . . A 71 GLU N . 30537 1 558 . 1 1 72 72 ILE H H 1 8.33 0.02 . 1 . . . . A 72 ILE H . 30537 1 559 . 1 1 72 72 ILE HA H 1 3.50 0.02 . 1 . . . . A 72 ILE HA . 30537 1 560 . 1 1 72 72 ILE HB H 1 1.80 0.02 . 1 . . . . A 72 ILE HB . 30537 1 561 . 1 1 72 72 ILE HG12 H 1 1.69 0.02 . 2 . . . . A 72 ILE HG12 . 30537 1 562 . 1 1 72 72 ILE HG13 H 1 0.97 0.02 . 2 . . . . A 72 ILE HG13 . 30537 1 563 . 1 1 72 72 ILE HG21 H 1 0.70 0.02 . 1 . . . . A 72 ILE HG21 . 30537 1 564 . 1 1 72 72 ILE HG22 H 1 0.70 0.02 . 1 . . . . A 72 ILE HG22 . 30537 1 565 . 1 1 72 72 ILE HG23 H 1 0.70 0.02 . 1 . . . . A 72 ILE HG23 . 30537 1 566 . 1 1 72 72 ILE HD11 H 1 0.70 0.02 . 1 . . . . A 72 ILE HD11 . 30537 1 567 . 1 1 72 72 ILE HD12 H 1 0.70 0.02 . 1 . . . . A 72 ILE HD12 . 30537 1 568 . 1 1 72 72 ILE HD13 H 1 0.70 0.02 . 1 . . . . A 72 ILE HD13 . 30537 1 569 . 1 1 72 72 ILE C C 13 174.3 0.2 . 1 . . . . A 72 ILE C . 30537 1 570 . 1 1 72 72 ILE CA C 13 62.9 0.2 . 1 . . . . A 72 ILE CA . 30537 1 571 . 1 1 72 72 ILE CB C 13 34.7 0.2 . 1 . . . . A 72 ILE CB . 30537 1 572 . 1 1 72 72 ILE CG1 C 13 26.6 0.2 . 1 . . . . A 72 ILE CG1 . 30537 1 573 . 1 1 72 72 ILE CG2 C 13 14.7 0.2 . 1 . . . . A 72 ILE CG2 . 30537 1 574 . 1 1 72 72 ILE CD1 C 13 12.3 0.2 . 1 . . . . A 72 ILE CD1 . 30537 1 575 . 1 1 72 72 ILE N N 15 119.1 0.2 . 1 . . . . A 72 ILE N . 30537 1 576 . 1 1 73 73 SER H H 1 8.32 0.02 . 1 . . . . A 73 SER H . 30537 1 577 . 1 1 73 73 SER HA H 1 3.87 0.02 . 1 . . . . A 73 SER HA . 30537 1 578 . 1 1 73 73 SER HB2 H 1 3.87 0.02 . 2 . . . . A 73 SER HB2 . 30537 1 579 . 1 1 73 73 SER HB3 H 1 3.72 0.02 . 2 . . . . A 73 SER HB3 . 30537 1 580 . 1 1 73 73 SER C C 13 174.0 0.2 . 1 . . . . A 73 SER C . 30537 1 581 . 1 1 73 73 SER CA C 13 58.6 0.2 . 1 . . . . A 73 SER CA . 30537 1 582 . 1 1 73 73 SER CB C 13 60.0 0.2 . 1 . . . . A 73 SER CB . 30537 1 583 . 1 1 73 73 SER N N 15 114.3 0.2 . 1 . . . . A 73 SER N . 30537 1 584 . 1 1 74 74 LYS H H 1 7.11 0.02 . 1 . . . . A 74 LYS H . 30537 1 585 . 1 1 74 74 LYS HA H 1 4.06 0.02 . 1 . . . . A 74 LYS HA . 30537 1 586 . 1 1 74 74 LYS HB2 H 1 1.87 0.02 . 2 . . . . A 74 LYS HB2 . 30537 1 587 . 1 1 74 74 LYS HB3 H 1 1.84 0.02 . 2 . . . . A 74 LYS HB3 . 30537 1 588 . 1 1 74 74 LYS C C 13 176.6 0.2 . 1 . . . . A 74 LYS C . 30537 1 589 . 1 1 74 74 LYS CA C 13 56.2 0.2 . 1 . . . . A 74 LYS CA . 30537 1 590 . 1 1 74 74 LYS CB C 13 29.8 0.2 . 1 . . . . A 74 LYS CB . 30537 1 591 . 1 1 74 74 LYS CG C 13 22.4 0.2 . 1 . . . . A 74 LYS CG . 30537 1 592 . 1 1 74 74 LYS CD C 13 26.4 0.2 . 1 . . . . A 74 LYS CD . 30537 1 593 . 1 1 74 74 LYS N N 15 119.6 0.2 . 1 . . . . A 74 LYS N . 30537 1 594 . 1 1 75 75 GLU H H 1 7.96 0.02 . 1 . . . . A 75 GLU H . 30537 1 595 . 1 1 75 75 GLU HA H 1 3.99 0.02 . 1 . . . . A 75 GLU HA . 30537 1 596 . 1 1 75 75 GLU HB2 H 1 1.97 0.02 . 2 . . . . A 75 GLU HB2 . 30537 1 597 . 1 1 75 75 GLU HB3 H 1 1.94 0.02 . 2 . . . . A 75 GLU HB3 . 30537 1 598 . 1 1 75 75 GLU HG2 H 1 2.32 0.02 . 2 . . . . A 75 GLU HG2 . 30537 1 599 . 1 1 75 75 GLU HG3 H 1 2.18 0.02 . 2 . . . . A 75 GLU HG3 . 30537 1 600 . 1 1 75 75 GLU C C 13 175.7 0.2 . 1 . . . . A 75 GLU C . 30537 1 601 . 1 1 75 75 GLU CA C 13 56.3 0.250 . 1 . . . . A 75 GLU CA . 30537 1 602 . 1 1 75 75 GLU CB C 13 26.8 0.2 . 1 . . . . A 75 GLU CB . 30537 1 603 . 1 1 75 75 GLU CG C 13 33.3 0.2 . 1 . . . . A 75 GLU CG . 30537 1 604 . 1 1 75 75 GLU N N 15 119.6 0.2 . 1 . . . . A 75 GLU N . 30537 1 605 . 1 1 76 76 LEU H H 1 7.99 0.02 . 1 . . . . A 76 LEU H . 30537 1 606 . 1 1 76 76 LEU HA H 1 4.47 0.02 . 1 . . . . A 76 LEU HA . 30537 1 607 . 1 1 76 76 LEU HB2 H 1 1.67 0.02 . 2 . . . . A 76 LEU HB2 . 30537 1 608 . 1 1 76 76 LEU HB3 H 1 1.52 0.02 . 2 . . . . A 76 LEU HB3 . 30537 1 609 . 1 1 76 76 LEU HG H 1 0.63 0.02 . 1 . . . . A 76 LEU HG . 30537 1 610 . 1 1 76 76 LEU C C 13 173.4 0.2 . 1 . . . . A 76 LEU C . 30537 1 611 . 1 1 76 76 LEU CA C 13 50.7 0.2 . 1 . . . . A 76 LEU CA . 30537 1 612 . 1 1 76 76 LEU CB C 13 38.6 0.2 . 1 . . . . A 76 LEU CB . 30537 1 613 . 1 1 76 76 LEU CG C 13 24.0 0.2 . 1 . . . . A 76 LEU CG . 30537 1 614 . 1 1 76 76 LEU N N 15 115.6 0.2 . 1 . . . . A 76 LEU N . 30537 1 615 . 1 1 77 77 GLN H H 1 6.95 0.02 . 1 . . . . A 77 GLN H . 30537 1 616 . 1 1 77 77 GLN HA H 1 4.08 0.02 . 1 . . . . A 77 GLN HA . 30537 1 617 . 1 1 77 77 GLN HB2 H 1 2.20 0.02 . 2 . . . . A 77 GLN HB2 . 30537 1 618 . 1 1 77 77 GLN HB3 H 1 1.97 0.02 . 2 . . . . A 77 GLN HB3 . 30537 1 619 . 1 1 77 77 GLN HG2 H 1 2.32 0.02 . 2 . . . . A 77 GLN HG2 . 30537 1 620 . 1 1 77 77 GLN HG3 H 1 2.32 0.02 . 2 . . . . A 77 GLN HG3 . 30537 1 621 . 1 1 77 77 GLN HE21 H 1 7.54 0.02 . 2 . . . . A 77 GLN HE21 . 30537 1 622 . 1 1 77 77 GLN HE22 H 1 6.75 0.02 . 2 . . . . A 77 GLN HE22 . 30537 1 623 . 1 1 77 77 GLN C C 13 173.3 0.2 . 1 . . . . A 77 GLN C . 30537 1 624 . 1 1 77 77 GLN CA C 13 55.8 0.2 . 1 . . . . A 77 GLN CA . 30537 1 625 . 1 1 77 77 GLN CB C 13 26.1 0.2 . 1 . . . . A 77 GLN CB . 30537 1 626 . 1 1 77 77 GLN CG C 13 30.5 0.2 . 1 . . . . A 77 GLN CG . 30537 1 627 . 1 1 77 77 GLN N N 15 121.5 0.2 . 1 . . . . A 77 GLN N . 30537 1 628 . 1 1 77 77 GLN NE2 N 15 112.3 0.2 . 1 . . . . A 77 GLN NE2 . 30537 1 629 . 1 1 78 78 ASP C C 13 172.0 0.2 . 1 . . . . A 78 ASP C . 30537 1 630 . 1 1 78 78 ASP CA C 13 53.8 0.2 . 1 . . . . A 78 ASP CA . 30537 1 631 . 1 1 78 78 ASP CB C 13 37.0 0.2 . 1 . . . . A 78 ASP CB . 30537 1 632 . 1 1 79 79 LYS H H 1 8.24 0.02 . 1 . . . . A 79 LYS H . 30537 1 633 . 1 1 79 79 LYS HA H 1 4.36 0.02 . 1 . . . . A 79 LYS HA . 30537 1 634 . 1 1 79 79 LYS HB2 H 1 1.65 0.02 . 2 . . . . A 79 LYS HB2 . 30537 1 635 . 1 1 79 79 LYS HB3 H 1 1.55 0.02 . 2 . . . . A 79 LYS HB3 . 30537 1 636 . 1 1 79 79 LYS HG2 H 1 1.32 0.02 . 2 . . . . A 79 LYS HG2 . 30537 1 637 . 1 1 79 79 LYS HG3 H 1 1.21 0.02 . 2 . . . . A 79 LYS HG3 . 30537 1 638 . 1 1 79 79 LYS C C 13 172.5 0.2 . 1 . . . . A 79 LYS C . 30537 1 639 . 1 1 79 79 LYS CA C 13 54.7 0.2 . 1 . . . . A 79 LYS CA . 30537 1 640 . 1 1 79 79 LYS CB C 13 32.7 0.2 . 1 . . . . A 79 LYS CB . 30537 1 641 . 1 1 79 79 LYS CG C 13 22.3 0.2 . 1 . . . . A 79 LYS CG . 30537 1 642 . 1 1 79 79 LYS CD C 13 26.6 0.2 . 1 . . . . A 79 LYS CD . 30537 1 643 . 1 1 79 79 LYS N N 15 117.9 0.2 . 1 . . . . A 79 LYS N . 30537 1 644 . 1 1 80 80 VAL H H 1 7.89 0.02 . 1 . . . . A 80 VAL H . 30537 1 645 . 1 1 80 80 VAL HA H 1 4.26 0.02 . 1 . . . . A 80 VAL HA . 30537 1 646 . 1 1 80 80 VAL HB H 1 1.65 0.02 . 1 . . . . A 80 VAL HB . 30537 1 647 . 1 1 80 80 VAL HG11 H 1 0.54 0.02 . 1 . . . . A 80 VAL HG11 . 30537 1 648 . 1 1 80 80 VAL HG12 H 1 0.54 0.02 . 1 . . . . A 80 VAL HG12 . 30537 1 649 . 1 1 80 80 VAL HG13 H 1 0.54 0.02 . 1 . . . . A 80 VAL HG13 . 30537 1 650 . 1 1 80 80 VAL HG21 H 1 0.65 0.02 . 1 . . . . A 80 VAL HG21 . 30537 1 651 . 1 1 80 80 VAL HG22 H 1 0.65 0.02 . 1 . . . . A 80 VAL HG22 . 30537 1 652 . 1 1 80 80 VAL HG23 H 1 0.65 0.02 . 1 . . . . A 80 VAL HG23 . 30537 1 653 . 1 1 80 80 VAL C C 13 170.9 0.2 . 1 . . . . A 80 VAL C . 30537 1 654 . 1 1 80 80 VAL CA C 13 57.4 0.2 . 1 . . . . A 80 VAL CA . 30537 1 655 . 1 1 80 80 VAL CB C 13 33.7 0.2 . 1 . . . . A 80 VAL CB . 30537 1 656 . 1 1 80 80 VAL CG1 C 13 18.2 0.2 . 1 . . . . A 80 VAL CG1 . 30537 1 657 . 1 1 80 80 VAL CG2 C 13 19.7 0.2 . 1 . . . . A 80 VAL CG2 . 30537 1 658 . 1 1 80 80 VAL N N 15 115.6 0.2 . 1 . . . . A 80 VAL N . 30537 1 659 . 1 1 81 81 LYS H H 1 8.75 0.02 . 1 . . . . A 81 LYS H . 30537 1 660 . 1 1 81 81 LYS HA H 1 4.32 0.02 . 1 . . . . A 81 LYS HA . 30537 1 661 . 1 1 81 81 LYS HB2 H 1 1.70 0.02 . 2 . . . . A 81 LYS HB2 . 30537 1 662 . 1 1 81 81 LYS HB3 H 1 1.52 0.02 . 2 . . . . A 81 LYS HB3 . 30537 1 663 . 1 1 81 81 LYS C C 13 171.3 0.2 . 1 . . . . A 81 LYS C . 30537 1 664 . 1 1 81 81 LYS CA C 13 52.8 0.2 . 1 . . . . A 81 LYS CA . 30537 1 665 . 1 1 81 81 LYS CB C 13 31.5 0.2 . 1 . . . . A 81 LYS CB . 30537 1 666 . 1 1 81 81 LYS CG C 13 22.0 0.2 . 1 . . . . A 81 LYS CG . 30537 1 667 . 1 1 81 81 LYS N N 15 128.6 0.2 . 1 . . . . A 81 LYS N . 30537 1 668 . 1 1 82 82 VAL H H 1 8.77 0.02 . 1 . . . . A 82 VAL H . 30537 1 669 . 1 1 82 82 VAL HA H 1 4.78 0.02 . 1 . . . . A 82 VAL HA . 30537 1 670 . 1 1 82 82 VAL HB H 1 1.85 0.02 . 1 . . . . A 82 VAL HB . 30537 1 671 . 1 1 82 82 VAL HG11 H 1 0.74 0.02 . 2 . . . . A 82 VAL HG11 . 30537 1 672 . 1 1 82 82 VAL HG12 H 1 0.74 0.02 . 2 . . . . A 82 VAL HG12 . 30537 1 673 . 1 1 82 82 VAL HG13 H 1 0.74 0.02 . 2 . . . . A 82 VAL HG13 . 30537 1 674 . 1 1 82 82 VAL HG21 H 1 0.73 0.02 . 2 . . . . A 82 VAL HG21 . 30537 1 675 . 1 1 82 82 VAL HG22 H 1 0.73 0.02 . 2 . . . . A 82 VAL HG22 . 30537 1 676 . 1 1 82 82 VAL HG23 H 1 0.73 0.02 . 2 . . . . A 82 VAL HG23 . 30537 1 677 . 1 1 82 82 VAL C C 13 171.7 0.2 . 1 . . . . A 82 VAL C . 30537 1 678 . 1 1 82 82 VAL CA C 13 59.0 0.2 . 1 . . . . A 82 VAL CA . 30537 1 679 . 1 1 82 82 VAL CB C 13 29.7 0.2 . 1 . . . . A 82 VAL CB . 30537 1 680 . 1 1 82 82 VAL CG1 C 13 19.7 0.2 . 2 . . . . A 82 VAL CG1 . 30537 1 681 . 1 1 82 82 VAL CG2 C 13 18.8 0.2 . 2 . . . . A 82 VAL CG2 . 30537 1 682 . 1 1 82 82 VAL N N 15 128.2 0.2 . 1 . . . . A 82 VAL N . 30537 1 683 . 1 1 83 83 LEU H H 1 8.73 0.02 . 1 . . . . A 83 LEU H . 30537 1 684 . 1 1 83 83 LEU HA H 1 5.09 0.02 . 1 . . . . A 83 LEU HA . 30537 1 685 . 1 1 83 83 LEU HB2 H 1 1.17 0.02 . 2 . . . . A 83 LEU HB2 . 30537 1 686 . 1 1 83 83 LEU HB3 H 1 1.07 0.02 . 2 . . . . A 83 LEU HB3 . 30537 1 687 . 1 1 83 83 LEU HG H 1 0.41 0.02 . 1 . . . . A 83 LEU HG . 30537 1 688 . 1 1 83 83 LEU HD21 H 1 0.66 0.2 . 2 . . . . A 83 LEU HD21 . 30537 1 689 . 1 1 83 83 LEU HD22 H 1 0.66 0.2 . 2 . . . . A 83 LEU HD22 . 30537 1 690 . 1 1 83 83 LEU HD23 H 1 0.66 0.2 . 2 . . . . A 83 LEU HD23 . 30537 1 691 . 1 1 83 83 LEU C C 13 172.6 0.2 . 1 . . . . A 83 LEU C . 30537 1 692 . 1 1 83 83 LEU CA C 13 49.8 0.2 . 1 . . . . A 83 LEU CA . 30537 1 693 . 1 1 83 83 LEU CB C 13 46.0 0.2 . 1 . . . . A 83 LEU CB . 30537 1 694 . 1 1 83 83 LEU CG C 13 24.8 0.2 . 1 . . . . A 83 LEU CG . 30537 1 695 . 1 1 83 83 LEU CD2 C 13 21.0 0.2 . 2 . . . . A 83 LEU CD2 . 30537 1 696 . 1 1 83 83 LEU N N 15 125.7 0.2 . 1 . . . . A 83 LEU N . 30537 1 697 . 1 1 84 84 LYS H H 1 8.43 0.02 . 1 . . . . A 84 LYS H . 30537 1 698 . 1 1 84 84 LYS HA H 1 5.08 0.02 . 1 . . . . A 84 LYS HA . 30537 1 699 . 1 1 84 84 LYS HB2 H 1 1.78 0.02 . 2 . . . . A 84 LYS HB2 . 30537 1 700 . 1 1 84 84 LYS HB3 H 1 1.56 0.02 . 2 . . . . A 84 LYS HB3 . 30537 1 701 . 1 1 84 84 LYS HG2 H 1 1.31 0.02 . 2 . . . . A 84 LYS HG2 . 30537 1 702 . 1 1 84 84 LYS HG3 H 1 1.15 0.02 . 2 . . . . A 84 LYS HG3 . 30537 1 703 . 1 1 84 84 LYS C C 13 171.5 0.2 . 1 . . . . A 84 LYS C . 30537 1 704 . 1 1 84 84 LYS CA C 13 51.8 0.2 . 1 . . . . A 84 LYS CA . 30537 1 705 . 1 1 84 84 LYS CB C 13 32.8 0.2 . 1 . . . . A 84 LYS CB . 30537 1 706 . 1 1 84 84 LYS CG C 13 21.1 0.2 . 1 . . . . A 84 LYS CG . 30537 1 707 . 1 1 84 84 LYS N N 15 117.6 0.2 . 1 . . . . A 84 LYS N . 30537 1 708 . 1 1 85 85 MET H H 1 9.05 0.02 . 1 . . . . A 85 MET H . 30537 1 709 . 1 1 85 85 MET HA H 1 4.77 0.02 . 1 . . . . A 85 MET HA . 30537 1 710 . 1 1 85 85 MET C C 13 170.3 0.2 . 1 . . . . A 85 MET C . 30537 1 711 . 1 1 85 85 MET CA C 13 52.0 0.2 . 1 . . . . A 85 MET CA . 30537 1 712 . 1 1 85 85 MET N N 15 121.9 0.2 . 1 . . . . A 85 MET N . 30537 1 713 . 1 1 86 86 ASN H H 1 8.73 0.02 . 1 . . . . A 86 ASN H . 30537 1 714 . 1 1 86 86 ASN HA H 1 3.83 0.02 . 1 . . . . A 86 ASN HA . 30537 1 715 . 1 1 86 86 ASN HB2 H 1 2.50 0.02 . 2 . . . . A 86 ASN HB2 . 30537 1 716 . 1 1 86 86 ASN HB3 H 1 2.16 0.02 . 2 . . . . A 86 ASN HB3 . 30537 1 717 . 1 1 86 86 ASN HD21 H 1 7.25 0.02 . 2 . . . . A 86 ASN HD21 . 30537 1 718 . 1 1 86 86 ASN HD22 H 1 5.48 0.02 . 2 . . . . A 86 ASN HD22 . 30537 1 719 . 1 1 86 86 ASN C C 13 175.5 0.2 . 1 . . . . A 86 ASN C . 30537 1 720 . 1 1 86 86 ASN CA C 13 49.4 0.2 . 1 . . . . A 86 ASN CA . 30537 1 721 . 1 1 86 86 ASN CB C 13 35.8 0.2 . 1 . . . . A 86 ASN CB . 30537 1 722 . 1 1 86 86 ASN N N 15 127.9 0.2 . 1 . . . . A 86 ASN N . 30537 1 723 . 1 1 86 86 ASN ND2 N 15 112.4 0.2 . 1 . . . . A 86 ASN ND2 . 30537 1 724 . 1 1 87 87 ILE H H 1 8.70 0.02 . 1 . . . . A 87 ILE H . 30537 1 725 . 1 1 87 87 ILE HA H 1 4.03 0.02 . 1 . . . . A 87 ILE HA . 30537 1 726 . 1 1 87 87 ILE HB H 1 1.97 0.02 . 1 . . . . A 87 ILE HB . 30537 1 727 . 1 1 87 87 ILE HG12 H 1 1.33 0.02 . 2 . . . . A 87 ILE HG12 . 30537 1 728 . 1 1 87 87 ILE HG13 H 1 1.33 0.02 . 2 . . . . A 87 ILE HG13 . 30537 1 729 . 1 1 87 87 ILE HG21 H 1 1.03 0.02 . 1 . . . . A 87 ILE HG21 . 30537 1 730 . 1 1 87 87 ILE HG22 H 1 1.03 0.02 . 1 . . . . A 87 ILE HG22 . 30537 1 731 . 1 1 87 87 ILE HG23 H 1 1.03 0.02 . 1 . . . . A 87 ILE HG23 . 30537 1 732 . 1 1 87 87 ILE HD11 H 1 0.75 0.02 . 1 . . . . A 87 ILE HD11 . 30537 1 733 . 1 1 87 87 ILE HD12 H 1 0.75 0.02 . 1 . . . . A 87 ILE HD12 . 30537 1 734 . 1 1 87 87 ILE HD13 H 1 0.75 0.02 . 1 . . . . A 87 ILE HD13 . 30537 1 735 . 1 1 87 87 ILE C C 13 173.3 0.2 . 1 . . . . A 87 ILE C . 30537 1 736 . 1 1 87 87 ILE CA C 13 61.3 0.2 . 1 . . . . A 87 ILE CA . 30537 1 737 . 1 1 87 87 ILE CB C 13 35.2 0.2 . 1 . . . . A 87 ILE CB . 30537 1 738 . 1 1 87 87 ILE CG1 C 13 23.3 0.2 . 1 . . . . A 87 ILE CG1 . 30537 1 739 . 1 1 87 87 ILE CG2 C 13 17.7 0.2 . 1 . . . . A 87 ILE CG2 . 30537 1 740 . 1 1 87 87 ILE CD1 C 13 12.4 0.2 . 1 . . . . A 87 ILE CD1 . 30537 1 741 . 1 1 87 87 ILE N N 15 122.2 0.2 . 1 . . . . A 87 ILE N . 30537 1 742 . 1 1 88 88 ASP H H 1 7.70 0.02 . 1 . . . . A 88 ASP H . 30537 1 743 . 1 1 88 88 ASP HA H 1 4.46 0.02 . 1 . . . . A 88 ASP HA . 30537 1 744 . 1 1 88 88 ASP HB2 H 1 2.76 0.02 . 2 . . . . A 88 ASP HB2 . 30537 1 745 . 1 1 88 88 ASP HB3 H 1 2.61 0.02 . 2 . . . . A 88 ASP HB3 . 30537 1 746 . 1 1 88 88 ASP C C 13 175.6 0.2 . 1 . . . . A 88 ASP C . 30537 1 747 . 1 1 88 88 ASP CA C 13 53.7 0.2 . 1 . . . . A 88 ASP CA . 30537 1 748 . 1 1 88 88 ASP CB C 13 37.6 0.2 . 1 . . . . A 88 ASP CB . 30537 1 749 . 1 1 88 88 ASP N N 15 122.2 0.2 . 1 . . . . A 88 ASP N . 30537 1 750 . 1 1 89 89 GLU H H 1 7.20 0.02 . 1 . . . . A 89 GLU H . 30537 1 751 . 1 1 89 89 GLU HA H 1 4.06 0.02 . 1 . . . . A 89 GLU HA . 30537 1 752 . 1 1 89 89 GLU HB2 H 1 2.05 0.02 . 2 . . . . A 89 GLU HB2 . 30537 1 753 . 1 1 89 89 GLU HB3 H 1 1.60 0.02 . 2 . . . . A 89 GLU HB3 . 30537 1 754 . 1 1 89 89 GLU HG2 H 1 2.12 0.02 . 2 . . . . A 89 GLU HG2 . 30537 1 755 . 1 1 89 89 GLU HG3 H 1 2.04 0.02 . 2 . . . . A 89 GLU HG3 . 30537 1 756 . 1 1 89 89 GLU C C 13 173.1 0.2 . 1 . . . . A 89 GLU C . 30537 1 757 . 1 1 89 89 GLU CA C 13 53.5 0.2 . 1 . . . . A 89 GLU CA . 30537 1 758 . 1 1 89 89 GLU CB C 13 29.4 0.2 . 1 . . . . A 89 GLU CB . 30537 1 759 . 1 1 89 89 GLU CG C 13 33.5 0.2 . 1 . . . . A 89 GLU CG . 30537 1 760 . 1 1 89 89 GLU N N 15 116.4 0.2 . 1 . . . . A 89 GLU N . 30537 1 761 . 1 1 90 90 ASN H H 1 6.86 0.02 . 1 . . . . A 90 ASN H . 30537 1 762 . 1 1 90 90 ASN HA H 1 5.11 0.02 . 1 . . . . A 90 ASN HA . 30537 1 763 . 1 1 90 90 ASN HB2 H 1 2.67 0.02 . 2 . . . . A 90 ASN HB2 . 30537 1 764 . 1 1 90 90 ASN HB3 H 1 2.55 0.02 . 2 . . . . A 90 ASN HB3 . 30537 1 765 . 1 1 90 90 ASN HD21 H 1 7.95 0.02 . 2 . . . . A 90 ASN HD21 . 30537 1 766 . 1 1 90 90 ASN HD22 H 1 7.39 0.02 . 2 . . . . A 90 ASN HD22 . 30537 1 767 . 1 1 90 90 ASN C C 13 166.8 0.2 . 1 . . . . A 90 ASN C . 30537 1 768 . 1 1 90 90 ASN CA C 13 48.8 0.2 . 1 . . . . A 90 ASN CA . 30537 1 769 . 1 1 90 90 ASN CB C 13 38.6 0.2 . 1 . . . . A 90 ASN CB . 30537 1 770 . 1 1 90 90 ASN N N 15 115.4 0.2 . 1 . . . . A 90 ASN N . 30537 1 771 . 1 1 90 90 ASN ND2 N 15 121.0 0.2 . 1 . . . . A 90 ASN ND2 . 30537 1 772 . 1 1 91 91 PRO HA H 1 4.47 0.02 . 1 . . . . A 91 PRO HA . 30537 1 773 . 1 1 91 91 PRO HB2 H 1 1.87 0.02 . 2 . . . . A 91 PRO HB2 . 30537 1 774 . 1 1 91 91 PRO HB3 H 1 2.25 0.02 . 2 . . . . A 91 PRO HB3 . 30537 1 775 . 1 1 91 91 PRO HG2 H 1 1.85 0.02 . 2 . . . . A 91 PRO HG2 . 30537 1 776 . 1 1 91 91 PRO HG3 H 1 1.93 0.02 . 2 . . . . A 91 PRO HG3 . 30537 1 777 . 1 1 91 91 PRO HD2 H 1 3.24 0.02 . 2 . . . . A 91 PRO HD2 . 30537 1 778 . 1 1 91 91 PRO HD3 H 1 3.71 0.02 . 2 . . . . A 91 PRO HD3 . 30537 1 779 . 1 1 91 91 PRO C C 13 177.6 0.2 . 1 . . . . A 91 PRO C . 30537 1 780 . 1 1 91 91 PRO CA C 13 60.8 0.2 . 1 . . . . A 91 PRO CA . 30537 1 781 . 1 1 91 91 PRO CB C 13 30.1 0.2 . 1 . . . . A 91 PRO CB . 30537 1 782 . 1 1 91 91 PRO CG C 13 24.1 0.2 . 1 . . . . A 91 PRO CG . 30537 1 783 . 1 1 91 91 PRO CD C 13 46.8 0.2 . 1 . . . . A 91 PRO CD . 30537 1 784 . 1 1 92 92 LYS H H 1 9.50 0.02 . 1 . . . . A 92 LYS H . 30537 1 785 . 1 1 92 92 LYS HA H 1 3.99 0.02 . 1 . . . . A 92 LYS HA . 30537 1 786 . 1 1 92 92 LYS HB2 H 1 1.59 0.02 . 2 . . . . A 92 LYS HB2 . 30537 1 787 . 1 1 92 92 LYS HB3 H 1 1.59 0.02 . 2 . . . . A 92 LYS HB3 . 30537 1 788 . 1 1 92 92 LYS HG2 H 1 1.36 0.02 . 2 . . . . A 92 LYS HG2 . 30537 1 789 . 1 1 92 92 LYS HG3 H 1 1.20 0.02 . 2 . . . . A 92 LYS HG3 . 30537 1 790 . 1 1 92 92 LYS C C 13 176.2 0.2 . 1 . . . . A 92 LYS C . 30537 1 791 . 1 1 92 92 LYS CA C 13 57.6 0.2 . 1 . . . . A 92 LYS CA . 30537 1 792 . 1 1 92 92 LYS CB C 13 29.9 0.2 . 1 . . . . A 92 LYS CB . 30537 1 793 . 1 1 92 92 LYS CG C 13 22.3 0.2 . 1 . . . . A 92 LYS CG . 30537 1 794 . 1 1 92 92 LYS CD C 13 26.6 0.2 . 1 . . . . A 92 LYS CD . 30537 1 795 . 1 1 92 92 LYS N N 15 123.2 0.2 . 1 . . . . A 92 LYS N . 30537 1 796 . 1 1 93 93 THR H H 1 9.48 0.02 . 1 . . . . A 93 THR H . 30537 1 797 . 1 1 93 93 THR HA H 1 3.76 0.02 . 1 . . . . A 93 THR HA . 30537 1 798 . 1 1 93 93 THR HB H 1 3.95 0.02 . 1 . . . . A 93 THR HB . 30537 1 799 . 1 1 93 93 THR HG21 H 1 0.13 0.02 . 1 . . . . A 93 THR HG21 . 30537 1 800 . 1 1 93 93 THR HG22 H 1 0.13 0.02 . 1 . . . . A 93 THR HG22 . 30537 1 801 . 1 1 93 93 THR HG23 H 1 0.13 0.02 . 1 . . . . A 93 THR HG23 . 30537 1 802 . 1 1 93 93 THR C C 13 175.4 0.2 . 1 . . . . A 93 THR C . 30537 1 803 . 1 1 93 93 THR CA C 13 66.5 0.2 . 1 . . . . A 93 THR CA . 30537 1 804 . 1 1 93 93 THR CB C 13 62.9 0.2 . 1 . . . . A 93 THR CB . 30537 1 805 . 1 1 93 93 THR CG2 C 13 16.9 0.2 . 1 . . . . A 93 THR CG2 . 30537 1 806 . 1 1 93 93 THR N N 15 119.7 0.2 . 1 . . . . A 93 THR N . 30537 1 807 . 1 1 94 94 PRO HA H 1 3.80 0.02 . 1 . . . . A 94 PRO HA . 30537 1 808 . 1 1 94 94 PRO HB2 H 1 1.73 0.02 . 2 . . . . A 94 PRO HB2 . 30537 1 809 . 1 1 94 94 PRO HB3 H 1 1.86 0.02 . 2 . . . . A 94 PRO HB3 . 30537 1 810 . 1 1 94 94 PRO HD2 H 1 3.55 0.02 . 2 . . . . A 94 PRO HD2 . 30537 1 811 . 1 1 94 94 PRO HD3 H 1 3.92 0.02 . 2 . . . . A 94 PRO HD3 . 30537 1 812 . 1 1 94 94 PRO CA C 13 63.3 0.2 . 1 . . . . A 94 PRO CA . 30537 1 813 . 1 1 94 94 PRO CB C 13 27.3 0.2 . 1 . . . . A 94 PRO CB . 30537 1 814 . 1 1 94 94 PRO CD C 13 48.7 0.2 . 1 . . . . A 94 PRO CD . 30537 1 815 . 1 1 95 95 SER H H 1 6.65 0.02 . 1 . . . . A 95 SER H . 30537 1 816 . 1 1 95 95 SER HA H 1 4.19 0.02 . 1 . . . . A 95 SER HA . 30537 1 817 . 1 1 95 95 SER HB2 H 1 3.90 0.02 . 2 . . . . A 95 SER HB2 . 30537 1 818 . 1 1 95 95 SER HB3 H 1 3.90 0.02 . 2 . . . . A 95 SER HB3 . 30537 1 819 . 1 1 95 95 SER C C 13 174.9 0.2 . 1 . . . . A 95 SER C . 30537 1 820 . 1 1 95 95 SER CA C 13 58.4 0.2 . 1 . . . . A 95 SER CA . 30537 1 821 . 1 1 95 95 SER CB C 13 60.1 0.2 . 1 . . . . A 95 SER CB . 30537 1 822 . 1 1 95 95 SER N N 15 110.5 0.2 . 1 . . . . A 95 SER N . 30537 1 823 . 1 1 96 96 GLU H H 1 7.96 0.02 . 1 . . . . A 96 GLU H . 30537 1 824 . 1 1 96 96 GLU HA H 1 3.78 0.02 . 1 . . . . A 96 GLU HA . 30537 1 825 . 1 1 96 96 GLU HB2 H 1 1.94 0.02 . 2 . . . . A 96 GLU HB2 . 30537 1 826 . 1 1 96 96 GLU HB3 H 1 1.65 0.02 . 2 . . . . A 96 GLU HB3 . 30537 1 827 . 1 1 96 96 GLU HG2 H 1 1.94 0.02 . 2 . . . . A 96 GLU HG2 . 30537 1 828 . 1 1 96 96 GLU HG3 H 1 1.77 0.02 . 2 . . . . A 96 GLU HG3 . 30537 1 829 . 1 1 96 96 GLU C C 13 175.3 0.2 . 1 . . . . A 96 GLU C . 30537 1 830 . 1 1 96 96 GLU CA C 13 56.1 0.2 . 1 . . . . A 96 GLU CA . 30537 1 831 . 1 1 96 96 GLU CB C 13 26.5 0.2 . 1 . . . . A 96 GLU CB . 30537 1 832 . 1 1 96 96 GLU CG C 13 32.9 0.2 . 1 . . . . A 96 GLU CG . 30537 1 833 . 1 1 96 96 GLU N N 15 123.6 0.2 . 1 . . . . A 96 GLU N . 30537 1 834 . 1 1 97 97 TYR H H 1 7.28 0.02 . 1 . . . . A 97 TYR H . 30537 1 835 . 1 1 97 97 TYR HA H 1 4.29 0.02 . 1 . . . . A 97 TYR HA . 30537 1 836 . 1 1 97 97 TYR HB2 H 1 2.14 0.02 . 2 . . . . A 97 TYR HB2 . 30537 1 837 . 1 1 97 97 TYR HB3 H 1 2.14 0.02 . 2 . . . . A 97 TYR HB3 . 30537 1 838 . 1 1 97 97 TYR HD1 H 1 7.15 0.02 . 3 . . . . A 97 TYR HD1 . 30537 1 839 . 1 1 97 97 TYR HD2 H 1 7.15 0.02 . 3 . . . . A 97 TYR HD2 . 30537 1 840 . 1 1 97 97 TYR HE1 H 1 6.74 0.02 . 3 . . . . A 97 TYR HE1 . 30537 1 841 . 1 1 97 97 TYR C C 13 172.4 0.2 . 1 . . . . A 97 TYR C . 30537 1 842 . 1 1 97 97 TYR CA C 13 56.2 0.2 . 1 . . . . A 97 TYR CA . 30537 1 843 . 1 1 97 97 TYR CB C 13 35.7 0.2 . 1 . . . . A 97 TYR CB . 30537 1 844 . 1 1 97 97 TYR CD1 C 13 130.1 0.2 . 3 . . . . A 97 TYR CD1 . 30537 1 845 . 1 1 97 97 TYR CD2 C 13 130.1 0.2 . 3 . . . . A 97 TYR CD2 . 30537 1 846 . 1 1 97 97 TYR CE1 C 13 115.4 0.2 . 3 . . . . A 97 TYR CE1 . 30537 1 847 . 1 1 97 97 TYR CE2 C 13 115.4 0.2 . 3 . . . . A 97 TYR CE2 . 30537 1 848 . 1 1 97 97 TYR N N 15 113.4 0.2 . 1 . . . . A 97 TYR N . 30537 1 849 . 1 1 98 98 GLY H H 1 7.39 0.02 . 1 . . . . A 98 GLY H . 30537 1 850 . 1 1 98 98 GLY HA2 H 1 3.70 0.02 . 2 . . . . A 98 GLY HA2 . 30537 1 851 . 1 1 98 98 GLY HA3 H 1 3.70 0.02 . 2 . . . . A 98 GLY HA3 . 30537 1 852 . 1 1 98 98 GLY C C 13 172.1 0.2 . 1 . . . . A 98 GLY C . 30537 1 853 . 1 1 98 98 GLY CA C 13 44.4 0.2 . 1 . . . . A 98 GLY CA . 30537 1 854 . 1 1 98 98 GLY N N 15 108.6 0.2 . 1 . . . . A 98 GLY N . 30537 1 855 . 1 1 99 99 ILE H H 1 7.97 0.02 . 1 . . . . A 99 ILE H . 30537 1 856 . 1 1 99 99 ILE HA H 1 3.75 0.02 . 1 . . . . A 99 ILE HA . 30537 1 857 . 1 1 99 99 ILE HB H 1 1.46 0.02 . 1 . . . . A 99 ILE HB . 30537 1 858 . 1 1 99 99 ILE HG12 H 1 0.80 0.02 . 2 . . . . A 99 ILE HG12 . 30537 1 859 . 1 1 99 99 ILE HG13 H 1 0.43 0.02 . 2 . . . . A 99 ILE HG13 . 30537 1 860 . 1 1 99 99 ILE HG21 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG21 . 30537 1 861 . 1 1 99 99 ILE HG22 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG22 . 30537 1 862 . 1 1 99 99 ILE HG23 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG23 . 30537 1 863 . 1 1 99 99 ILE HD11 H 1 -0.03 0.02 . 1 . . . . A 99 ILE HD11 . 30537 1 864 . 1 1 99 99 ILE HD12 H 1 -0.03 0.02 . 1 . . . . A 99 ILE HD12 . 30537 1 865 . 1 1 99 99 ILE HD13 H 1 -0.03 0.02 . 1 . . . . A 99 ILE HD13 . 30537 1 866 . 1 1 99 99 ILE C C 13 173.3 0.2 . 1 . . . . A 99 ILE C . 30537 1 867 . 1 1 99 99 ILE CA C 13 58.2 0.2 . 1 . . . . A 99 ILE CA . 30537 1 868 . 1 1 99 99 ILE CB C 13 32.7 0.2 . 1 . . . . A 99 ILE CB . 30537 1 869 . 1 1 99 99 ILE CG1 C 13 24.7 0.2 . 1 . . . . A 99 ILE CG1 . 30537 1 870 . 1 1 99 99 ILE CG2 C 13 14.0 0.2 . 1 . . . . A 99 ILE CG2 . 30537 1 871 . 1 1 99 99 ILE CD1 C 13 8.5 0.2 . 1 . . . . A 99 ILE CD1 . 30537 1 872 . 1 1 99 99 ILE N N 15 119.7 0.2 . 1 . . . . A 99 ILE N . 30537 1 873 . 1 1 100 100 ARG H H 1 8.39 0.02 . 1 . . . . A 100 ARG H . 30537 1 874 . 1 1 100 100 ARG HA H 1 4.35 0.02 . 1 . . . . A 100 ARG HA . 30537 1 875 . 1 1 100 100 ARG HB2 H 1 1.82 0.02 . 2 . . . . A 100 ARG HB2 . 30537 1 876 . 1 1 100 100 ARG HB3 H 1 1.60 0.02 . 2 . . . . A 100 ARG HB3 . 30537 1 877 . 1 1 100 100 ARG HG2 H 1 1.44 0.02 . 2 . . . . A 100 ARG HG2 . 30537 1 878 . 1 1 100 100 ARG HG3 H 1 1.44 0.02 . 2 . . . . A 100 ARG HG3 . 30537 1 879 . 1 1 100 100 ARG HD2 H 1 3.04 0.02 . 2 . . . . A 100 ARG HD2 . 30537 1 880 . 1 1 100 100 ARG HD3 H 1 3.04 0.02 . 2 . . . . A 100 ARG HD3 . 30537 1 881 . 1 1 100 100 ARG C C 13 172.6 0.2 . 1 . . . . A 100 ARG C . 30537 1 882 . 1 1 100 100 ARG CA C 13 52.9 0.2 . 1 . . . . A 100 ARG CA . 30537 1 883 . 1 1 100 100 ARG CB C 13 29.3 0.2 . 1 . . . . A 100 ARG CB . 30537 1 884 . 1 1 100 100 ARG CG C 13 24.2 0.2 . 1 . . . . A 100 ARG CG . 30537 1 885 . 1 1 100 100 ARG CD C 13 40.3 0.2 . 1 . . . . A 100 ARG CD . 30537 1 886 . 1 1 100 100 ARG N N 15 127.5 0.2 . 1 . . . . A 100 ARG N . 30537 1 887 . 1 1 101 101 SER H H 1 7.72 0.02 . 1 . . . . A 101 SER H . 30537 1 888 . 1 1 101 101 SER HA H 1 4.58 0.02 . 1 . . . . A 101 SER HA . 30537 1 889 . 1 1 101 101 SER HB2 H 1 3.60 0.02 . 2 . . . . A 101 SER HB2 . 30537 1 890 . 1 1 101 101 SER HB3 H 1 3.60 0.02 . 2 . . . . A 101 SER HB3 . 30537 1 891 . 1 1 101 101 SER C C 13 169.1 0.2 . 1 . . . . A 101 SER C . 30537 1 892 . 1 1 101 101 SER CA C 13 54.6 0.2 . 1 . . . . A 101 SER CA . 30537 1 893 . 1 1 101 101 SER CB C 13 62.2 0.2 . 1 . . . . A 101 SER CB . 30537 1 894 . 1 1 101 101 SER N N 15 114.8 0.2 . 1 . . . . A 101 SER N . 30537 1 895 . 1 1 102 102 ILE H H 1 8.23 0.02 . 1 . . . . A 102 ILE H . 30537 1 896 . 1 1 102 102 ILE HA H 1 4.77 0.02 . 1 . . . . A 102 ILE HA . 30537 1 897 . 1 1 102 102 ILE HB H 1 1.59 0.02 . 1 . . . . A 102 ILE HB . 30537 1 898 . 1 1 102 102 ILE HG12 H 1 1.41 0.02 . 2 . . . . A 102 ILE HG12 . 30537 1 899 . 1 1 102 102 ILE HG13 H 1 0.97 0.02 . 2 . . . . A 102 ILE HG13 . 30537 1 900 . 1 1 102 102 ILE HG21 H 1 0.65 0.02 . 1 . . . . A 102 ILE HG21 . 30537 1 901 . 1 1 102 102 ILE HG22 H 1 0.65 0.02 . 1 . . . . A 102 ILE HG22 . 30537 1 902 . 1 1 102 102 ILE HG23 H 1 0.65 0.02 . 1 . . . . A 102 ILE HG23 . 30537 1 903 . 1 1 102 102 ILE HD11 H 1 0.23 0.02 . 1 . . . . A 102 ILE HD11 . 30537 1 904 . 1 1 102 102 ILE HD12 H 1 0.23 0.02 . 1 . . . . A 102 ILE HD12 . 30537 1 905 . 1 1 102 102 ILE HD13 H 1 0.23 0.02 . 1 . . . . A 102 ILE HD13 . 30537 1 906 . 1 1 102 102 ILE C C 13 178.2 0.2 . 1 . . . . A 102 ILE C . 30537 1 907 . 1 1 102 102 ILE CA C 13 55.1 0.2 . 1 . . . . A 102 ILE CA . 30537 1 908 . 1 1 102 102 ILE CB C 13 38.1 0.2 . 1 . . . . A 102 ILE CB . 30537 1 909 . 1 1 102 102 ILE CG1 C 13 22.0 0.2 . 1 . . . . A 102 ILE CG1 . 30537 1 910 . 1 1 102 102 ILE CG2 C 13 17.0 0.2 . 1 . . . . A 102 ILE CG2 . 30537 1 911 . 1 1 102 102 ILE CD1 C 13 13.0 0.2 . 1 . . . . A 102 ILE CD1 . 30537 1 912 . 1 1 102 102 ILE N N 15 115.9 0.2 . 1 . . . . A 102 ILE N . 30537 1 913 . 1 1 103 103 PRO HA H 1 4.76 0.02 . 1 . . . . A 103 PRO HA . 30537 1 914 . 1 1 103 103 PRO HB2 H 1 1.80 0.02 . 2 . . . . A 103 PRO HB2 . 30537 1 915 . 1 1 103 103 PRO HB3 H 1 2.66 0.02 . 2 . . . . A 103 PRO HB3 . 30537 1 916 . 1 1 103 103 PRO HG2 H 1 1.55 0.02 . 2 . . . . A 103 PRO HG2 . 30537 1 917 . 1 1 103 103 PRO HG3 H 1 1.64 0.02 . 2 . . . . A 103 PRO HG3 . 30537 1 918 . 1 1 103 103 PRO HD2 H 1 3.44 0.02 . 2 . . . . A 103 PRO HD2 . 30537 1 919 . 1 1 103 103 PRO HD3 H 1 3.52 0.02 . 2 . . . . A 103 PRO HD3 . 30537 1 920 . 1 1 103 103 PRO C C 13 174.2 0.2 . 1 . . . . A 103 PRO C . 30537 1 921 . 1 1 103 103 PRO CA C 13 60.5 0.2 . 1 . . . . A 103 PRO CA . 30537 1 922 . 1 1 103 103 PRO CB C 13 32.5 0.2 . 1 . . . . A 103 PRO CB . 30537 1 923 . 1 1 103 103 PRO CG C 13 22.2 0.2 . 1 . . . . A 103 PRO CG . 30537 1 924 . 1 1 103 103 PRO CD C 13 48.1 0.2 . 1 . . . . A 103 PRO CD . 30537 1 925 . 1 1 104 104 THR H H 1 7.94 0.02 . 1 . . . . A 104 THR H . 30537 1 926 . 1 1 104 104 THR HA H 1 4.89 0.02 . 1 . . . . A 104 THR HA . 30537 1 927 . 1 1 104 104 THR HB H 1 3.88 0.02 . 1 . . . . A 104 THR HB . 30537 1 928 . 1 1 104 104 THR HG21 H 1 1.08 0.02 . 1 . . . . A 104 THR HG21 . 30537 1 929 . 1 1 104 104 THR HG22 H 1 1.08 0.02 . 1 . . . . A 104 THR HG22 . 30537 1 930 . 1 1 104 104 THR HG23 H 1 1.08 0.02 . 1 . . . . A 104 THR HG23 . 30537 1 931 . 1 1 104 104 THR C C 13 169.1 0.2 . 1 . . . . A 104 THR C . 30537 1 932 . 1 1 104 104 THR CA C 13 61.4 0.2 . 1 . . . . A 104 THR CA . 30537 1 933 . 1 1 104 104 THR CB C 13 70.4 0.2 . 1 . . . . A 104 THR CB . 30537 1 934 . 1 1 104 104 THR CG2 C 13 20.1 0.2 . 1 . . . . A 104 THR CG2 . 30537 1 935 . 1 1 104 104 THR N N 15 119.9 0.2 . 1 . . . . A 104 THR N . 30537 1 936 . 1 1 105 105 ILE H H 1 9.32 0.02 . 1 . . . . A 105 ILE H . 30537 1 937 . 1 1 105 105 ILE HA H 1 5.39 0.02 . 1 . . . . A 105 ILE HA . 30537 1 938 . 1 1 105 105 ILE HB H 1 1.59 0.02 . 1 . . . . A 105 ILE HB . 30537 1 939 . 1 1 105 105 ILE HG12 H 1 1.60 0.02 . 2 . . . . A 105 ILE HG12 . 30537 1 940 . 1 1 105 105 ILE HG13 H 1 0.90 0.02 . 2 . . . . A 105 ILE HG13 . 30537 1 941 . 1 1 105 105 ILE HG21 H 1 1.00 0.02 . 1 . . . . A 105 ILE HG21 . 30537 1 942 . 1 1 105 105 ILE HG22 H 1 1.00 0.02 . 1 . . . . A 105 ILE HG22 . 30537 1 943 . 1 1 105 105 ILE HG23 H 1 1.00 0.02 . 1 . . . . A 105 ILE HG23 . 30537 1 944 . 1 1 105 105 ILE HD11 H 1 0.73 0.02 . 1 . . . . A 105 ILE HD11 . 30537 1 945 . 1 1 105 105 ILE HD12 H 1 0.73 0.02 . 1 . . . . A 105 ILE HD12 . 30537 1 946 . 1 1 105 105 ILE HD13 H 1 0.73 0.02 . 1 . . . . A 105 ILE HD13 . 30537 1 947 . 1 1 105 105 ILE C C 13 171.8 0.2 . 1 . . . . A 105 ILE C . 30537 1 948 . 1 1 105 105 ILE CA C 13 57.0 0.2 . 1 . . . . A 105 ILE CA . 30537 1 949 . 1 1 105 105 ILE CB C 13 37.6 0.2 . 1 . . . . A 105 ILE CB . 30537 1 950 . 1 1 105 105 ILE CG1 C 13 25.4 0.2 . 1 . . . . A 105 ILE CG1 . 30537 1 951 . 1 1 105 105 ILE CG2 C 13 16.9 0.2 . 1 . . . . A 105 ILE CG2 . 30537 1 952 . 1 1 105 105 ILE CD1 C 13 12.2 0.2 . 1 . . . . A 105 ILE CD1 . 30537 1 953 . 1 1 105 105 ILE N N 15 127.4 0.2 . 1 . . . . A 105 ILE N . 30537 1 954 . 1 1 106 106 MET H H 1 9.26 0.02 . 1 . . . . A 106 MET H . 30537 1 955 . 1 1 106 106 MET HA H 1 5.33 0.02 . 1 . . . . A 106 MET HA . 30537 1 956 . 1 1 106 106 MET HB2 H 1 2.00 0.02 . 2 . . . . A 106 MET HB2 . 30537 1 957 . 1 1 106 106 MET HB3 H 1 1.91 0.02 . 2 . . . . A 106 MET HB3 . 30537 1 958 . 1 1 106 106 MET HG2 H 1 2.37 0.02 . 2 . . . . A 106 MET HG2 . 30537 1 959 . 1 1 106 106 MET HG3 H 1 2.25 0.02 . 2 . . . . A 106 MET HG3 . 30537 1 960 . 1 1 106 106 MET C C 13 170.9 0.2 . 1 . . . . A 106 MET C . 30537 1 961 . 1 1 106 106 MET CA C 13 52.3 0.2 . 1 . . . . A 106 MET CA . 30537 1 962 . 1 1 106 106 MET CB C 13 36.8 0.2 . 1 . . . . A 106 MET CB . 30537 1 963 . 1 1 106 106 MET CG C 13 29.5 0.2 . 1 . . . . A 106 MET CG . 30537 1 964 . 1 1 106 106 MET N N 15 126.4 0.2 . 1 . . . . A 106 MET N . 30537 1 965 . 1 1 107 107 LEU H H 1 8.37 0.02 . 1 . . . . A 107 LEU H . 30537 1 966 . 1 1 107 107 LEU HA H 1 5.32 0.02 . 1 . . . . A 107 LEU HA . 30537 1 967 . 1 1 107 107 LEU HB2 H 1 1.33 0.02 . 2 . . . . A 107 LEU HB2 . 30537 1 968 . 1 1 107 107 LEU HB3 H 1 1.04 0.02 . 2 . . . . A 107 LEU HB3 . 30537 1 969 . 1 1 107 107 LEU HG H 1 1.03 0.02 . 1 . . . . A 107 LEU HG . 30537 1 970 . 1 1 107 107 LEU HD11 H 1 -0.02 0.02 . 1 . . . . A 107 LEU HD11 . 30537 1 971 . 1 1 107 107 LEU HD12 H 1 -0.02 0.02 . 1 . . . . A 107 LEU HD12 . 30537 1 972 . 1 1 107 107 LEU HD13 H 1 -0.02 0.02 . 1 . . . . A 107 LEU HD13 . 30537 1 973 . 1 1 107 107 LEU HD21 H 1 0.27 0.02 . 1 . . . . A 107 LEU HD21 . 30537 1 974 . 1 1 107 107 LEU HD22 H 1 0.27 0.02 . 1 . . . . A 107 LEU HD22 . 30537 1 975 . 1 1 107 107 LEU HD23 H 1 0.27 0.02 . 1 . . . . A 107 LEU HD23 . 30537 1 976 . 1 1 107 107 LEU C C 13 172.4 0.2 . 1 . . . . A 107 LEU C . 30537 1 977 . 1 1 107 107 LEU CA C 13 50.3 0.2 . 1 . . . . A 107 LEU CA . 30537 1 978 . 1 1 107 107 LEU CB C 13 42.6 0.2 . 1 . . . . A 107 LEU CB . 30537 1 979 . 1 1 107 107 LEU CG C 13 24.4 0.2 . 1 . . . . A 107 LEU CG . 30537 1 980 . 1 1 107 107 LEU CD1 C 13 21.1 0.2 . 1 . . . . A 107 LEU CD1 . 30537 1 981 . 1 1 107 107 LEU CD2 C 13 21.7 0.2 . 1 . . . . A 107 LEU CD2 . 30537 1 982 . 1 1 107 107 LEU N N 15 124.3 0.02 . 1 . . . . A 107 LEU N . 30537 1 983 . 1 1 108 108 PHE H H 1 9.67 0.02 . 1 . . . . A 108 PHE H . 30537 1 984 . 1 1 108 108 PHE HA H 1 5.06 0.02 . 1 . . . . A 108 PHE HA . 30537 1 985 . 1 1 108 108 PHE HB2 H 1 2.51 0.02 . 2 . . . . A 108 PHE HB2 . 30537 1 986 . 1 1 108 108 PHE HB3 H 1 2.65 0.02 . 2 . . . . A 108 PHE HB3 . 30537 1 987 . 1 1 108 108 PHE HD1 H 1 6.64 0.02 . 3 . . . . A 108 PHE HD1 . 30537 1 988 . 1 1 108 108 PHE HD2 H 1 6.64 0.02 . 3 . . . . A 108 PHE HD2 . 30537 1 989 . 1 1 108 108 PHE C C 13 172.1 0.2 . 1 . . . . A 108 PHE C . 30537 1 990 . 1 1 108 108 PHE CA C 13 53.9 0.2 . 1 . . . . A 108 PHE CA . 30537 1 991 . 1 1 108 108 PHE CB C 13 40.3 0.2 . 1 . . . . A 108 PHE CB . 30537 1 992 . 1 1 108 108 PHE CD1 C 13 129.1 0.2 . 3 . . . . A 108 PHE CD1 . 30537 1 993 . 1 1 108 108 PHE CD2 C 13 129.1 0.2 . 3 . . . . A 108 PHE CD2 . 30537 1 994 . 1 1 108 108 PHE N N 15 123.9 0.2 . 1 . . . . A 108 PHE N . 30537 1 995 . 1 1 109 109 LYS H H 1 8.65 0.02 . 1 . . . . A 109 LYS H . 30537 1 996 . 1 1 109 109 LYS HA H 1 5.06 0.02 . 1 . . . . A 109 LYS HA . 30537 1 997 . 1 1 109 109 LYS HB2 H 1 1.59 0.02 . 2 . . . . A 109 LYS HB2 . 30537 1 998 . 1 1 109 109 LYS HB3 H 1 1.49 0.02 . 2 . . . . A 109 LYS HB3 . 30537 1 999 . 1 1 109 109 LYS HG2 H 1 1.23 0.02 . 2 . . . . A 109 LYS HG2 . 30537 1 1000 . 1 1 109 109 LYS HG3 H 1 1.23 0.02 . 2 . . . . A 109 LYS HG3 . 30537 1 1001 . 1 1 109 109 LYS C C 13 173.2 0.2 . 1 . . . . A 109 LYS C . 30537 1 1002 . 1 1 109 109 LYS CA C 13 53.9 0.2 . 1 . . . . A 109 LYS CA . 30537 1 1003 . 1 1 109 109 LYS CB C 13 33.8 0.2 . 1 . . . . A 109 LYS CB . 30537 1 1004 . 1 1 109 109 LYS CG C 13 22.8 0.2 . 1 . . . . A 109 LYS CG . 30537 1 1005 . 1 1 109 109 LYS CD C 13 27.2 0.2 . 1 . . . . A 109 LYS CD . 30537 1 1006 . 1 1 109 109 LYS N N 15 118.5 0.2 . 1 . . . . A 109 LYS N . 30537 1 1007 . 1 1 110 110 ASN H H 1 9.21 0.02 . 1 . . . . A 110 ASN H . 30537 1 1008 . 1 1 110 110 ASN HA H 1 4.51 0.02 . 1 . . . . A 110 ASN HA . 30537 1 1009 . 1 1 110 110 ASN HB2 H 1 3.03 0.02 . 2 . . . . A 110 ASN HB2 . 30537 1 1010 . 1 1 110 110 ASN HB3 H 1 2.72 0.02 . 2 . . . . A 110 ASN HB3 . 30537 1 1011 . 1 1 110 110 ASN HD21 H 1 7.59 0.02 . 2 . . . . A 110 ASN HD21 . 30537 1 1012 . 1 1 110 110 ASN HD22 H 1 6.90 0.02 . 2 . . . . A 110 ASN HD22 . 30537 1 1013 . 1 1 110 110 ASN C C 13 172.6 0.2 . 1 . . . . A 110 ASN C . 30537 1 1014 . 1 1 110 110 ASN CA C 13 51.7 0.2 . 1 . . . . A 110 ASN CA . 30537 1 1015 . 1 1 110 110 ASN CB C 13 34.8 0.2 . 1 . . . . A 110 ASN CB . 30537 1 1016 . 1 1 110 110 ASN N N 15 125.1 0.2 . 1 . . . . A 110 ASN N . 30537 1 1017 . 1 1 110 110 ASN ND2 N 15 112.1 0.2 . 1 . . . . A 110 ASN ND2 . 30537 1 1018 . 1 1 111 111 GLY H H 1 9.17 0.02 . 1 . . . . A 111 GLY H . 30537 1 1019 . 1 1 111 111 GLY HA2 H 1 4.19 0.02 . 2 . . . . A 111 GLY HA2 . 30537 1 1020 . 1 1 111 111 GLY HA3 H 1 3.73 0.02 . 2 . . . . A 111 GLY HA3 . 30537 1 1021 . 1 1 111 111 GLY C C 13 170.7 0.2 . 1 . . . . A 111 GLY C . 30537 1 1022 . 1 1 111 111 GLY CA C 13 43.4 0.2 . 1 . . . . A 111 GLY CA . 30537 1 1023 . 1 1 111 111 GLY N N 15 104.3 0.2 . 1 . . . . A 111 GLY N . 30537 1 1024 . 1 1 112 112 GLU H H 1 7.75 0.02 . 1 . . . . A 112 GLU H . 30537 1 1025 . 1 1 112 112 GLU HA H 1 4.77 0.02 . 1 . . . . A 112 GLU HA . 30537 1 1026 . 1 1 112 112 GLU HB2 H 1 2.01 0.02 . 2 . . . . A 112 GLU HB2 . 30537 1 1027 . 1 1 112 112 GLU HB3 H 1 1.87 0.02 . 2 . . . . A 112 GLU HB3 . 30537 1 1028 . 1 1 112 112 GLU HG2 H 1 2.23 0.02 . 2 . . . . A 112 GLU HG2 . 30537 1 1029 . 1 1 112 112 GLU HG3 H 1 2.23 0.02 . 2 . . . . A 112 GLU HG3 . 30537 1 1030 . 1 1 112 112 GLU C C 13 172.4 0.2 . 1 . . . . A 112 GLU C . 30537 1 1031 . 1 1 112 112 GLU CA C 13 51.6 0.2 . 1 . . . . A 112 GLU CA . 30537 1 1032 . 1 1 112 112 GLU CB C 13 30.5 0.2 . 1 . . . . A 112 GLU CB . 30537 1 1033 . 1 1 112 112 GLU CG C 13 33.1 0.2 . 1 . . . . A 112 GLU CG . 30537 1 1034 . 1 1 112 112 GLU N N 15 118.4 0.2 . 1 . . . . A 112 GLU N . 30537 1 1035 . 1 1 113 113 GLN H H 1 8.98 0.02 . 1 . . . . A 113 GLN H . 30537 1 1036 . 1 1 113 113 GLN HA H 1 3.44 0.02 . 1 . . . . A 113 GLN HA . 30537 1 1037 . 1 1 113 113 GLN HB2 H 1 1.87 0.02 . 2 . . . . A 113 GLN HB2 . 30537 1 1038 . 1 1 113 113 GLN HB3 H 1 1.67 0.02 . 2 . . . . A 113 GLN HB3 . 30537 1 1039 . 1 1 113 113 GLN HG2 H 1 1.84 0.02 . 2 . . . . A 113 GLN HG2 . 30537 1 1040 . 1 1 113 113 GLN HG3 H 1 2.08 0.02 . 2 . . . . A 113 GLN HG3 . 30537 1 1041 . 1 1 113 113 GLN HE21 H 1 6.95 0.02 . 2 . . . . A 113 GLN HE21 . 30537 1 1042 . 1 1 113 113 GLN HE22 H 1 6.92 0.02 . 2 . . . . A 113 GLN HE22 . 30537 1 1043 . 1 1 113 113 GLN C C 13 172.5 0.2 . 1 . . . . A 113 GLN C . 30537 1 1044 . 1 1 113 113 GLN CA C 13 53.7 0.2 . 1 . . . . A 113 GLN CA . 30537 1 1045 . 1 1 113 113 GLN CB C 13 25.8 0.2 . 1 . . . . A 113 GLN CB . 30537 1 1046 . 1 1 113 113 GLN CG C 13 30.4 0.2 . 1 . . . . A 113 GLN CG . 30537 1 1047 . 1 1 113 113 GLN N N 15 123.9 0.2 . 1 . . . . A 113 GLN N . 30537 1 1048 . 1 1 113 113 GLN NE2 N 15 110.2 0.2 . 1 . . . . A 113 GLN NE2 . 30537 1 1049 . 1 1 114 114 LYS H H 1 9.12 0.02 . 1 . . . . A 114 LYS H . 30537 1 1050 . 1 1 114 114 LYS HA H 1 4.46 0.02 . 1 . . . . A 114 LYS HA . 30537 1 1051 . 1 1 114 114 LYS HB2 H 1 1.63 0.02 . 2 . . . . A 114 LYS HB2 . 30537 1 1052 . 1 1 114 114 LYS HB3 H 1 1.35 0.02 . 2 . . . . A 114 LYS HB3 . 30537 1 1053 . 1 1 114 114 LYS HG2 H 1 1.39 0.02 . 2 . . . . A 114 LYS HG2 . 30537 1 1054 . 1 1 114 114 LYS HG3 H 1 1.16 0.02 . 2 . . . . A 114 LYS HG3 . 30537 1 1055 . 1 1 114 114 LYS HD2 H 1 1.58 0.02 . 2 . . . . A 114 LYS HD2 . 30537 1 1056 . 1 1 114 114 LYS HD3 H 1 1.58 0.02 . 2 . . . . A 114 LYS HD3 . 30537 1 1057 . 1 1 114 114 LYS HE2 H 1 2.90 0.02 . 2 . . . . A 114 LYS HE2 . 30537 1 1058 . 1 1 114 114 LYS HE3 H 1 2.90 0.02 . 2 . . . . A 114 LYS HE3 . 30537 1 1059 . 1 1 114 114 LYS C C 13 173.0 0.2 . 1 . . . . A 114 LYS C . 30537 1 1060 . 1 1 114 114 LYS CA C 13 52.4 0.2 . 1 . . . . A 114 LYS CA . 30537 1 1061 . 1 1 114 114 LYS CB C 13 30.4 0.2 . 1 . . . . A 114 LYS CB . 30537 1 1062 . 1 1 114 114 LYS CG C 13 21.4 0.2 . 1 . . . . A 114 LYS CG . 30537 1 1063 . 1 1 114 114 LYS CD C 13 24.8 0.2 . 1 . . . . A 114 LYS CD . 30537 1 1064 . 1 1 114 114 LYS N N 15 125.6 0.2 . 1 . . . . A 114 LYS N . 30537 1 1065 . 1 1 115 115 ASP H H 1 7.39 0.02 . 1 . . . . A 115 ASP H . 30537 1 1066 . 1 1 115 115 ASP HA H 1 4.97 0.02 . 1 . . . . A 115 ASP HA . 30537 1 1067 . 1 1 115 115 ASP HB2 H 1 2.98 0.02 . 2 . . . . A 115 ASP HB2 . 30537 1 1068 . 1 1 115 115 ASP HB3 H 1 2.50 0.02 . 2 . . . . A 115 ASP HB3 . 30537 1 1069 . 1 1 115 115 ASP C C 13 171.6 0.2 . 1 . . . . A 115 ASP C . 30537 1 1070 . 1 1 115 115 ASP CA C 13 51.0 0.2 . 1 . . . . A 115 ASP CA . 30537 1 1071 . 1 1 115 115 ASP CB C 13 40.7 0.2 . 1 . . . . A 115 ASP CB . 30537 1 1072 . 1 1 115 115 ASP N N 15 113.3 0.2 . 1 . . . . A 115 ASP N . 30537 1 1073 . 1 1 116 116 THR H H 1 8.64 0.02 . 1 . . . . A 116 THR H . 30537 1 1074 . 1 1 116 116 THR HA H 1 5.28 0.02 . 1 . . . . A 116 THR HA . 30537 1 1075 . 1 1 116 116 THR HB H 1 3.73 0.02 . 1 . . . . A 116 THR HB . 30537 1 1076 . 1 1 116 116 THR HG21 H 1 1.04 0.02 . 1 . . . . A 116 THR HG21 . 30537 1 1077 . 1 1 116 116 THR HG22 H 1 1.04 0.02 . 1 . . . . A 116 THR HG22 . 30537 1 1078 . 1 1 116 116 THR HG23 H 1 1.04 0.02 . 1 . . . . A 116 THR HG23 . 30537 1 1079 . 1 1 116 116 THR C C 13 170.3 0.2 . 1 . . . . A 116 THR C . 30537 1 1080 . 1 1 116 116 THR CA C 13 59.1 0.2 . 1 . . . . A 116 THR CA . 30537 1 1081 . 1 1 116 116 THR CB C 13 70.3 0.2 . 1 . . . . A 116 THR CB . 30537 1 1082 . 1 1 116 116 THR CG2 C 13 20.3 0.2 . 1 . . . . A 116 THR CG2 . 30537 1 1083 . 1 1 116 116 THR N N 15 116.1 0.2 . 1 . . . . A 116 THR N . 30537 1 1084 . 1 1 117 117 LYS H H 1 9.12 0.02 . 1 . . . . A 117 LYS H . 30537 1 1085 . 1 1 117 117 LYS HA H 1 4.29 0.02 . 1 . . . . A 117 LYS HA . 30537 1 1086 . 1 1 117 117 LYS HB2 H 1 0.92 0.02 . 2 . . . . A 117 LYS HB2 . 30537 1 1087 . 1 1 117 117 LYS HB3 H 1 0.66 0.02 . 2 . . . . A 117 LYS HB3 . 30537 1 1088 . 1 1 117 117 LYS HG2 H 1 -0.16 0.02 . 2 . . . . A 117 LYS HG2 . 30537 1 1089 . 1 1 117 117 LYS HG3 H 1 -0.16 0.02 . 2 . . . . A 117 LYS HG3 . 30537 1 1090 . 1 1 117 117 LYS HD2 H 1 0.89 0.02 . 2 . . . . A 117 LYS HD2 . 30537 1 1091 . 1 1 117 117 LYS HD3 H 1 0.44 0.02 . 2 . . . . A 117 LYS HD3 . 30537 1 1092 . 1 1 117 117 LYS HE2 H 1 1.72 0.02 . 2 . . . . A 117 LYS HE2 . 30537 1 1093 . 1 1 117 117 LYS HE3 H 1 1.30 0.02 . 2 . . . . A 117 LYS HE3 . 30537 1 1094 . 1 1 117 117 LYS C C 13 172.0 0.2 . 1 . . . . A 117 LYS C . 30537 1 1095 . 1 1 117 117 LYS CA C 13 51.5 0.2 . 1 . . . . A 117 LYS CA . 30537 1 1096 . 1 1 117 117 LYS CB C 13 32.8 0.2 . 1 . . . . A 117 LYS CB . 30537 1 1097 . 1 1 117 117 LYS CG C 13 20.4 0.2 . 1 . . . . A 117 LYS CG . 30537 1 1098 . 1 1 117 117 LYS CD C 13 25.2 0.2 . 1 . . . . A 117 LYS CD . 30537 1 1099 . 1 1 117 117 LYS CE C 13 38.1 0.2 . 1 . . . . A 117 LYS CE . 30537 1 1100 . 1 1 117 117 LYS N N 15 124.6 0.2 . 1 . . . . A 117 LYS N . 30537 1 1101 . 1 1 118 118 ILE H H 1 8.45 0.02 . 1 . . . . A 118 ILE H . 30537 1 1102 . 1 1 118 118 ILE HA H 1 4.55 0.02 . 1 . . . . A 118 ILE HA . 30537 1 1103 . 1 1 118 118 ILE HB H 1 1.59 0.02 . 1 . . . . A 118 ILE HB . 30537 1 1104 . 1 1 118 118 ILE HG12 H 1 1.27 0.02 . 2 . . . . A 118 ILE HG12 . 30537 1 1105 . 1 1 118 118 ILE HG13 H 1 1.03 0.02 . 2 . . . . A 118 ILE HG13 . 30537 1 1106 . 1 1 118 118 ILE HG21 H 1 0.72 0.02 . 1 . . . . A 118 ILE HG21 . 30537 1 1107 . 1 1 118 118 ILE HG22 H 1 0.72 0.02 . 1 . . . . A 118 ILE HG22 . 30537 1 1108 . 1 1 118 118 ILE HG23 H 1 0.72 0.02 . 1 . . . . A 118 ILE HG23 . 30537 1 1109 . 1 1 118 118 ILE HD11 H 1 0.71 0.02 . 1 . . . . A 118 ILE HD11 . 30537 1 1110 . 1 1 118 118 ILE HD12 H 1 0.71 0.02 . 1 . . . . A 118 ILE HD12 . 30537 1 1111 . 1 1 118 118 ILE HD13 H 1 0.71 0.02 . 1 . . . . A 118 ILE HD13 . 30537 1 1112 . 1 1 118 118 ILE C C 13 174.0 0.2 . 1 . . . . A 118 ILE C . 30537 1 1113 . 1 1 118 118 ILE CA C 13 57.7 0.2 . 1 . . . . A 118 ILE CA . 30537 1 1114 . 1 1 118 118 ILE CB C 13 37.6 0.2 . 1 . . . . A 118 ILE CB . 30537 1 1115 . 1 1 118 118 ILE CG1 C 13 24.4 0.2 . 1 . . . . A 118 ILE CG1 . 30537 1 1116 . 1 1 118 118 ILE CG2 C 13 15.0 0.2 . 1 . . . . A 118 ILE CG2 . 30537 1 1117 . 1 1 118 118 ILE CD1 C 13 10.8 0.2 . 1 . . . . A 118 ILE CD1 . 30537 1 1118 . 1 1 118 118 ILE N N 15 122.8 0.2 . 1 . . . . A 118 ILE N . 30537 1 1119 . 1 1 119 119 GLY H H 1 8.09 0.02 . 1 . . . . A 119 GLY H . 30537 1 1120 . 1 1 119 119 GLY HA2 H 1 4.22 0.02 . 2 . . . . A 119 GLY HA2 . 30537 1 1121 . 1 1 119 119 GLY HA3 H 1 3.48 0.02 . 2 . . . . A 119 GLY HA3 . 30537 1 1122 . 1 1 119 119 GLY C C 13 170.2 0.2 . 1 . . . . A 119 GLY C . 30537 1 1123 . 1 1 119 119 GLY CA C 13 41.1 0.2 . 1 . . . . A 119 GLY CA . 30537 1 1124 . 1 1 119 119 GLY N N 15 111.8 0.2 . 1 . . . . A 119 GLY N . 30537 1 1125 . 1 1 120 120 LEU H H 1 8.29 0.02 . 1 . . . . A 120 LEU H . 30537 1 1126 . 1 1 120 120 LEU HA H 1 3.72 0.02 . 1 . . . . A 120 LEU HA . 30537 1 1127 . 1 1 120 120 LEU HB2 H 1 1.56 0.02 . 2 . . . . A 120 LEU HB2 . 30537 1 1128 . 1 1 120 120 LEU HB3 H 1 1.32 0.02 . 2 . . . . A 120 LEU HB3 . 30537 1 1129 . 1 1 120 120 LEU HD11 H 1 0.81 0.02 . 2 . . . . A 120 LEU HD11 . 30537 1 1130 . 1 1 120 120 LEU HD12 H 1 0.81 0.02 . 2 . . . . A 120 LEU HD12 . 30537 1 1131 . 1 1 120 120 LEU HD13 H 1 0.81 0.02 . 2 . . . . A 120 LEU HD13 . 30537 1 1132 . 1 1 120 120 LEU HD21 H 1 0.83 0.02 . 2 . . . . A 120 LEU HD21 . 30537 1 1133 . 1 1 120 120 LEU HD22 H 1 0.83 0.02 . 2 . . . . A 120 LEU HD22 . 30537 1 1134 . 1 1 120 120 LEU HD23 H 1 0.83 0.02 . 2 . . . . A 120 LEU HD23 . 30537 1 1135 . 1 1 120 120 LEU C C 13 173.1 0.2 . 1 . . . . A 120 LEU C . 30537 1 1136 . 1 1 120 120 LEU CA C 13 54.0 0.2 . 1 . . . . A 120 LEU CA . 30537 1 1137 . 1 1 120 120 LEU CB C 13 39.4 0.2 . 1 . . . . A 120 LEU CB . 30537 1 1138 . 1 1 120 120 LEU CG C 13 24.3 0.2 . 1 . . . . A 120 LEU CG . 30537 1 1139 . 1 1 120 120 LEU CD1 C 13 21.6 0.2 . 2 . . . . A 120 LEU CD1 . 30537 1 1140 . 1 1 120 120 LEU CD2 C 13 22.7 0.2 . 2 . . . . A 120 LEU CD2 . 30537 1 1141 . 1 1 120 120 LEU N N 15 118.5 0.2 . 1 . . . . A 120 LEU N . 30537 1 1142 . 1 1 121 121 GLN H H 1 6.27 0.02 . 1 . . . . A 121 GLN H . 30537 1 1143 . 1 1 121 121 GLN HA H 1 4.40 0.02 . 1 . . . . A 121 GLN HA . 30537 1 1144 . 1 1 121 121 GLN HB2 H 1 2.03 0.02 . 2 . . . . A 121 GLN HB2 . 30537 1 1145 . 1 1 121 121 GLN HB3 H 1 1.12 0.02 . 2 . . . . A 121 GLN HB3 . 30537 1 1146 . 1 1 121 121 GLN HG2 H 1 2.33 0.02 . 2 . . . . A 121 GLN HG2 . 30537 1 1147 . 1 1 121 121 GLN HG3 H 1 1.63 0.02 . 2 . . . . A 121 GLN HG3 . 30537 1 1148 . 1 1 121 121 GLN HE21 H 1 6.46 0.02 . 2 . . . . A 121 GLN HE21 . 30537 1 1149 . 1 1 121 121 GLN HE22 H 1 6.39 0.02 . 2 . . . . A 121 GLN HE22 . 30537 1 1150 . 1 1 121 121 GLN C C 13 171.5 0.2 . 1 . . . . A 121 GLN C . 30537 1 1151 . 1 1 121 121 GLN CA C 13 49.9 0.2 . 1 . . . . A 121 GLN CA . 30537 1 1152 . 1 1 121 121 GLN CB C 13 29.8 0.2 . 1 . . . . A 121 GLN CB . 30537 1 1153 . 1 1 121 121 GLN CG C 13 29.4 0.2 . 1 . . . . A 121 GLN CG . 30537 1 1154 . 1 1 121 121 GLN N N 15 120.1 0.2 . 1 . . . . A 121 GLN N . 30537 1 1155 . 1 1 121 121 GLN NE2 N 15 112.9 0.2 . 1 . . . . A 121 GLN NE2 . 30537 1 1156 . 1 1 122 122 GLN H H 1 8.15 0.02 . 1 . . . . A 122 GLN H . 30537 1 1157 . 1 1 122 122 GLN HA H 1 4.26 0.02 . 1 . . . . A 122 GLN HA . 30537 1 1158 . 1 1 122 122 GLN HB2 H 1 2.23 0.02 . 2 . . . . A 122 GLN HB2 . 30537 1 1159 . 1 1 122 122 GLN HB3 H 1 1.87 0.02 . 2 . . . . A 122 GLN HB3 . 30537 1 1160 . 1 1 122 122 GLN HG2 H 1 2.37 0.02 . 2 . . . . A 122 GLN HG2 . 30537 1 1161 . 1 1 122 122 GLN HG3 H 1 2.33 0.02 . 2 . . . . A 122 GLN HG3 . 30537 1 1162 . 1 1 122 122 GLN HE21 H 1 7.51 0.02 . 2 . . . . A 122 GLN HE21 . 30537 1 1163 . 1 1 122 122 GLN HE22 H 1 6.80 0.02 . 2 . . . . A 122 GLN HE22 . 30537 1 1164 . 1 1 122 122 GLN C C 13 173.9 0.2 . 1 . . . . A 122 GLN C . 30537 1 1165 . 1 1 122 122 GLN CA C 13 51.9 0.2 . 1 . . . . A 122 GLN CA . 30537 1 1166 . 1 1 122 122 GLN CB C 13 27.2 0.2 . 1 . . . . A 122 GLN CB . 30537 1 1167 . 1 1 122 122 GLN CG C 13 31.5 0.2 . 1 . . . . A 122 GLN CG . 30537 1 1168 . 1 1 122 122 GLN N N 15 117.1 0.2 . 1 . . . . A 122 GLN N . 30537 1 1169 . 1 1 122 122 GLN NE2 N 15 112.8 0.2 . 1 . . . . A 122 GLN NE2 . 30537 1 1170 . 1 1 123 123 LYS H H 1 9.02 0.02 . 1 . . . . A 123 LYS H . 30537 1 1171 . 1 1 123 123 LYS HA H 1 3.52 0.02 . 1 . . . . A 123 LYS HA . 30537 1 1172 . 1 1 123 123 LYS HB2 H 1 1.77 0.02 . 2 . . . . A 123 LYS HB2 . 30537 1 1173 . 1 1 123 123 LYS HB3 H 1 1.77 0.02 . 2 . . . . A 123 LYS HB3 . 30537 1 1174 . 1 1 123 123 LYS C C 13 175.1 0.2 . 1 . . . . A 123 LYS C . 30537 1 1175 . 1 1 123 123 LYS CA C 13 58.5 0.2 . 1 . . . . A 123 LYS CA . 30537 1 1176 . 1 1 123 123 LYS CB C 13 29.8 0.2 . 1 . . . . A 123 LYS CB . 30537 1 1177 . 1 1 123 123 LYS CG C 13 22.4 0.2 . 1 . . . . A 123 LYS CG . 30537 1 1178 . 1 1 123 123 LYS CD C 13 26.7 0.2 . 1 . . . . A 123 LYS CD . 30537 1 1179 . 1 1 123 123 LYS N N 15 122.3 0.2 . 1 . . . . A 123 LYS N . 30537 1 1180 . 1 1 124 124 ASN H H 1 8.85 0.02 . 1 . . . . A 124 ASN H . 30537 1 1181 . 1 1 124 124 ASN HA H 1 4.26 0.02 . 1 . . . . A 124 ASN HA . 30537 1 1182 . 1 1 124 124 ASN HB2 H 1 2.75 0.02 . 2 . . . . A 124 ASN HB2 . 30537 1 1183 . 1 1 124 124 ASN HB3 H 1 2.75 0.02 . 2 . . . . A 124 ASN HB3 . 30537 1 1184 . 1 1 124 124 ASN HD21 H 1 7.55 0.02 . 2 . . . . A 124 ASN HD21 . 30537 1 1185 . 1 1 124 124 ASN HD22 H 1 6.77 0.02 . 2 . . . . A 124 ASN HD22 . 30537 1 1186 . 1 1 124 124 ASN C C 13 175.0 0.2 . 1 . . . . A 124 ASN C . 30537 1 1187 . 1 1 124 124 ASN CA C 13 53.9 0.2 . 1 . . . . A 124 ASN CA . 30537 1 1188 . 1 1 124 124 ASN CB C 13 34.0 0.2 . 1 . . . . A 124 ASN CB . 30537 1 1189 . 1 1 124 124 ASN N N 15 115.0 0.2 . 1 . . . . A 124 ASN N . 30537 1 1190 . 1 1 124 124 ASN ND2 N 15 111.9 0.2 . 1 . . . . A 124 ASN ND2 . 30537 1 1191 . 1 1 125 125 SER H H 1 7.14 0.02 . 1 . . . . A 125 SER H . 30537 1 1192 . 1 1 125 125 SER HA H 1 4.24 0.02 . 1 . . . . A 125 SER HA . 30537 1 1193 . 1 1 125 125 SER HB2 H 1 3.90 0.02 . 2 . . . . A 125 SER HB2 . 30537 1 1194 . 1 1 125 125 SER HB3 H 1 3.90 0.02 . 2 . . . . A 125 SER HB3 . 30537 1 1195 . 1 1 125 125 SER C C 13 174.9 0.2 . 1 . . . . A 125 SER C . 30537 1 1196 . 1 1 125 125 SER CA C 13 58.1 0.2 . 1 . . . . A 125 SER CA . 30537 1 1197 . 1 1 125 125 SER CB C 13 60.0 0.2 . 1 . . . . A 125 SER CB . 30537 1 1198 . 1 1 125 125 SER N N 15 115.4 0.2 . 1 . . . . A 125 SER N . 30537 1 1199 . 1 1 126 126 LEU H H 1 7.93 0.02 . 1 . . . . A 126 LEU H . 30537 1 1200 . 1 1 126 126 LEU HA H 1 4.23 0.02 . 1 . . . . A 126 LEU HA . 30537 1 1201 . 1 1 126 126 LEU HB2 H 1 1.85 0.02 . 2 . . . . A 126 LEU HB2 . 30537 1 1202 . 1 1 126 126 LEU HB3 H 1 1.27 0.02 . 2 . . . . A 126 LEU HB3 . 30537 1 1203 . 1 1 126 126 LEU HG H 1 1.57 0.02 . 1 . . . . A 126 LEU HG . 30537 1 1204 . 1 1 126 126 LEU HD11 H 1 0.59 0.02 . 1 . . . . A 126 LEU HD11 . 30537 1 1205 . 1 1 126 126 LEU HD12 H 1 0.59 0.02 . 1 . . . . A 126 LEU HD12 . 30537 1 1206 . 1 1 126 126 LEU HD13 H 1 0.59 0.02 . 1 . . . . A 126 LEU HD13 . 30537 1 1207 . 1 1 126 126 LEU HD21 H 1 0.62 0.02 . 1 . . . . A 126 LEU HD21 . 30537 1 1208 . 1 1 126 126 LEU HD22 H 1 0.62 0.02 . 1 . . . . A 126 LEU HD22 . 30537 1 1209 . 1 1 126 126 LEU HD23 H 1 0.62 0.02 . 1 . . . . A 126 LEU HD23 . 30537 1 1210 . 1 1 126 126 LEU C C 13 175.8 0.2 . 1 . . . . A 126 LEU C . 30537 1 1211 . 1 1 126 126 LEU CA C 13 55.4 0.2 . 1 . . . . A 126 LEU CA . 30537 1 1212 . 1 1 126 126 LEU CB C 13 39.8 0.2 . 1 . . . . A 126 LEU CB . 30537 1 1213 . 1 1 126 126 LEU CG C 13 23.9 0.2 . 1 . . . . A 126 LEU CG . 30537 1 1214 . 1 1 126 126 LEU CD1 C 13 22.8 0.2 . 1 . . . . A 126 LEU CD1 . 30537 1 1215 . 1 1 126 126 LEU CD2 C 13 21.6 0.2 . 1 . . . . A 126 LEU CD2 . 30537 1 1216 . 1 1 126 126 LEU N N 15 122.9 0.2 . 1 . . . . A 126 LEU N . 30537 1 1217 . 1 1 127 127 LEU H H 1 8.37 0.02 . 1 . . . . A 127 LEU H . 30537 1 1218 . 1 1 127 127 LEU HA H 1 4.24 0.02 . 1 . . . . A 127 LEU HA . 30537 1 1219 . 1 1 127 127 LEU HB2 H 1 1.73 0.02 . 2 . . . . A 127 LEU HB2 . 30537 1 1220 . 1 1 127 127 LEU HB3 H 1 1.47 0.02 . 2 . . . . A 127 LEU HB3 . 30537 1 1221 . 1 1 127 127 LEU HD21 H 1 0.77 0.02 . 2 . . . . A 127 LEU HD21 . 30537 1 1222 . 1 1 127 127 LEU HD22 H 1 0.77 0.02 . 2 . . . . A 127 LEU HD22 . 30537 1 1223 . 1 1 127 127 LEU HD23 H 1 0.77 0.02 . 2 . . . . A 127 LEU HD23 . 30537 1 1224 . 1 1 127 127 LEU C C 13 175.9 0.2 . 1 . . . . A 127 LEU C . 30537 1 1225 . 1 1 127 127 LEU CA C 13 55.6 0.2 . 1 . . . . A 127 LEU CA . 30537 1 1226 . 1 1 127 127 LEU CB C 13 39.1 0.2 . 1 . . . . A 127 LEU CB . 30537 1 1227 . 1 1 127 127 LEU CG C 13 24.1 0.2 . 1 . . . . A 127 LEU CG . 30537 1 1228 . 1 1 127 127 LEU CD1 C 13 22.8 0.2 . 2 . . . . A 127 LEU CD1 . 30537 1 1229 . 1 1 127 127 LEU CD2 C 13 21.2 0.2 . 2 . . . . A 127 LEU CD2 . 30537 1 1230 . 1 1 127 127 LEU N N 15 119.0 0.2 . 1 . . . . A 127 LEU N . 30537 1 1231 . 1 1 128 128 ASP H H 1 7.87 0.02 . 1 . . . . A 128 ASP H . 30537 1 1232 . 1 1 128 128 ASP HA H 1 4.30 0.02 . 1 . . . . A 128 ASP HA . 30537 1 1233 . 1 1 128 128 ASP HB2 H 1 2.71 0.02 . 2 . . . . A 128 ASP HB2 . 30537 1 1234 . 1 1 128 128 ASP HB3 H 1 2.59 0.02 . 2 . . . . A 128 ASP HB3 . 30537 1 1235 . 1 1 128 128 ASP C C 13 175.0 0.2 . 1 . . . . A 128 ASP C . 30537 1 1236 . 1 1 128 128 ASP CA C 13 54.8 0.2 . 1 . . . . A 128 ASP CA . 30537 1 1237 . 1 1 128 128 ASP CB C 13 38.5 0.2 . 1 . . . . A 128 ASP CB . 30537 1 1238 . 1 1 128 128 ASP N N 15 118.7 0.2 . 1 . . . . A 128 ASP N . 30537 1 1239 . 1 1 129 129 TRP H H 1 7.71 0.02 . 1 . . . . A 129 TRP H . 30537 1 1240 . 1 1 129 129 TRP HA H 1 4.32 0.02 . 1 . . . . A 129 TRP HA . 30537 1 1241 . 1 1 129 129 TRP HB2 H 1 3.17 0.02 . 2 . . . . A 129 TRP HB2 . 30537 1 1242 . 1 1 129 129 TRP HB3 H 1 3.57 0.02 . 2 . . . . A 129 TRP HB3 . 30537 1 1243 . 1 1 129 129 TRP HD1 H 1 7.14 0.02 . 1 . . . . A 129 TRP HD1 . 30537 1 1244 . 1 1 129 129 TRP HE1 H 1 10.57 0.02 . 1 . . . . A 129 TRP HE1 . 30537 1 1245 . 1 1 129 129 TRP HZ2 H 1 6.75 0.02 . 1 . . . . A 129 TRP HZ2 . 30537 1 1246 . 1 1 129 129 TRP C C 13 176.2 0.2 . 1 . . . . A 129 TRP C . 30537 1 1247 . 1 1 129 129 TRP CA C 13 57.3 0.2 . 1 . . . . A 129 TRP CA . 30537 1 1248 . 1 1 129 129 TRP CB C 13 25.2 0.2 . 1 . . . . A 129 TRP CB . 30537 1 1249 . 1 1 129 129 TRP CD1 C 13 124.1 0.2 . 1 . . . . A 129 TRP CD1 . 30537 1 1250 . 1 1 129 129 TRP CZ2 C 13 111.0 0.2 . 1 . . . . A 129 TRP CZ2 . 30537 1 1251 . 1 1 129 129 TRP N N 15 119.9 0.2 . 1 . . . . A 129 TRP N . 30537 1 1252 . 1 1 129 129 TRP NE1 N 15 131.8 0.2 . 1 . . . . A 129 TRP NE1 . 30537 1 1253 . 1 1 130 130 ILE H H 1 8.63 0.02 . 1 . . . . A 130 ILE H . 30537 1 1254 . 1 1 130 130 ILE HA H 1 2.80 0.02 . 1 . . . . A 130 ILE HA . 30537 1 1255 . 1 1 130 130 ILE HB H 1 1.70 0.02 . 1 . . . . A 130 ILE HB . 30537 1 1256 . 1 1 130 130 ILE HG12 H 1 1.69 0.02 . 2 . . . . A 130 ILE HG12 . 30537 1 1257 . 1 1 130 130 ILE HG13 H 1 0.74 0.02 . 2 . . . . A 130 ILE HG13 . 30537 1 1258 . 1 1 130 130 ILE HG21 H 1 0.58 0.02 . 1 . . . . A 130 ILE HG21 . 30537 1 1259 . 1 1 130 130 ILE HG22 H 1 0.58 0.02 . 1 . . . . A 130 ILE HG22 . 30537 1 1260 . 1 1 130 130 ILE HG23 H 1 0.58 0.02 . 1 . . . . A 130 ILE HG23 . 30537 1 1261 . 1 1 130 130 ILE HD11 H 1 0.53 0.02 . 1 . . . . A 130 ILE HD11 . 30537 1 1262 . 1 1 130 130 ILE HD12 H 1 0.53 0.02 . 1 . . . . A 130 ILE HD12 . 30537 1 1263 . 1 1 130 130 ILE HD13 H 1 0.53 0.02 . 1 . . . . A 130 ILE HD13 . 30537 1 1264 . 1 1 130 130 ILE C C 13 175.0 0.2 . 1 . . . . A 130 ILE C . 30537 1 1265 . 1 1 130 130 ILE CA C 13 62.2 0.2 . 1 . . . . A 130 ILE CA . 30537 1 1266 . 1 1 130 130 ILE CB C 13 35.3 0.2 . 1 . . . . A 130 ILE CB . 30537 1 1267 . 1 1 130 130 ILE CG1 C 13 26.5 0.2 . 1 . . . . A 130 ILE CG1 . 30537 1 1268 . 1 1 130 130 ILE CG2 C 13 15.3 0.2 . 1 . . . . A 130 ILE CG2 . 30537 1 1269 . 1 1 130 130 ILE CD1 C 13 11.6 0.2 . 1 . . . . A 130 ILE CD1 . 30537 1 1270 . 1 1 130 130 ILE N N 15 121.3 0.2 . 1 . . . . A 130 ILE N . 30537 1 1271 . 1 1 131 131 ASN H H 1 8.12 0.02 . 1 . . . . A 131 ASN H . 30537 1 1272 . 1 1 131 131 ASN HA H 1 4.27 0.02 . 1 . . . . A 131 ASN HA . 30537 1 1273 . 1 1 131 131 ASN HB2 H 1 2.80 0.02 . 2 . . . . A 131 ASN HB2 . 30537 1 1274 . 1 1 131 131 ASN HB3 H 1 2.60 0.02 . 2 . . . . A 131 ASN HB3 . 30537 1 1275 . 1 1 131 131 ASN HD21 H 1 7.37 0.02 . 2 . . . . A 131 ASN HD21 . 30537 1 1276 . 1 1 131 131 ASN HD22 H 1 6.55 0.02 . 2 . . . . A 131 ASN HD22 . 30537 1 1277 . 1 1 131 131 ASN C C 13 175.0 0.2 . 1 . . . . A 131 ASN C . 30537 1 1278 . 1 1 131 131 ASN CA C 13 53.2 0.2 . 1 . . . . A 131 ASN CA . 30537 1 1279 . 1 1 131 131 ASN CB C 13 35.6 0.2 . 1 . . . . A 131 ASN CB . 30537 1 1280 . 1 1 131 131 ASN N N 15 115.4 0.2 . 1 . . . . A 131 ASN N . 30537 1 1281 . 1 1 131 131 ASN ND2 N 15 111.1 0.2 . 1 . . . . A 131 ASN ND2 . 30537 1 1282 . 1 1 132 132 LYS H H 1 7.57 0.02 . 1 . . . . A 132 LYS H . 30537 1 1283 . 1 1 132 132 LYS HA H 1 4.19 0.02 . 1 . . . . A 132 LYS HA . 30537 1 1284 . 1 1 132 132 LYS HB2 H 1 1.82 0.02 . 2 . . . . A 132 LYS HB2 . 30537 1 1285 . 1 1 132 132 LYS HB3 H 1 1.82 0.02 . 2 . . . . A 132 LYS HB3 . 30537 1 1286 . 1 1 132 132 LYS HG2 H 1 1.46 0.02 . 2 . . . . A 132 LYS HG2 . 30537 1 1287 . 1 1 132 132 LYS HG3 H 1 1.46 0.02 . 2 . . . . A 132 LYS HG3 . 30537 1 1288 . 1 1 132 132 LYS C C 13 175.1 0.2 . 1 . . . . A 132 LYS C . 30537 1 1289 . 1 1 132 132 LYS CA C 13 54.7 0.2 . 1 . . . . A 132 LYS CA . 30537 1 1290 . 1 1 132 132 LYS CB C 13 30.3 0.2 . 1 . . . . A 132 LYS CB . 30537 1 1291 . 1 1 132 132 LYS CG C 13 22.7 0.2 . 1 . . . . A 132 LYS CG . 30537 1 1292 . 1 1 132 132 LYS CD C 13 26.3 0.2 . 1 . . . . A 132 LYS CD . 30537 1 1293 . 1 1 132 132 LYS CE C 13 39.5 0.2 . 1 . . . . A 132 LYS CE . 30537 1 1294 . 1 1 132 132 LYS N N 15 116.4 0.2 . 1 . . . . A 132 LYS N . 30537 1 1295 . 1 1 133 133 SER H H 1 7.45 0.02 . 1 . . . . A 133 SER H . 30537 1 1296 . 1 1 133 133 SER HA H 1 4.29 0.02 . 1 . . . . A 133 SER HA . 30537 1 1297 . 1 1 133 133 SER HB2 H 1 3.28 0.02 . 2 . . . . A 133 SER HB2 . 30537 1 1298 . 1 1 133 133 SER HB3 H 1 3.13 0.02 . 2 . . . . A 133 SER HB3 . 30537 1 1299 . 1 1 133 133 SER C C 13 170.3 0.2 . 1 . . . . A 133 SER C . 30537 1 1300 . 1 1 133 133 SER CA C 13 57.6 0.2 . 1 . . . . A 133 SER CA . 30537 1 1301 . 1 1 133 133 SER CB C 13 62.4 0.2 . 1 . . . . A 133 SER CB . 30537 1 1302 . 1 1 133 133 SER N N 15 114.5 0.2 . 1 . . . . A 133 SER N . 30537 1 1303 . 1 1 134 134 ILE H H 1 6.99 0.02 . 1 . . . . A 134 ILE H . 30537 1 1304 . 1 1 134 134 ILE HA H 1 3.94 0.02 . 1 . . . . A 134 ILE HA . 30537 1 1305 . 1 1 134 134 ILE HB H 1 1.93 0.02 . 1 . . . . A 134 ILE HB . 30537 1 1306 . 1 1 134 134 ILE HG21 H 1 0.61 0.2 . 1 . . . . A 134 ILE HG21 . 30537 1 1307 . 1 1 134 134 ILE HG22 H 1 0.61 0.2 . 1 . . . . A 134 ILE HG22 . 30537 1 1308 . 1 1 134 134 ILE HG23 H 1 0.61 0.2 . 1 . . . . A 134 ILE HG23 . 30537 1 1309 . 1 1 134 134 ILE HD11 H 1 0.58 0.02 . 1 . . . . A 134 ILE HD11 . 30537 1 1310 . 1 1 134 134 ILE HD12 H 1 0.58 0.02 . 1 . . . . A 134 ILE HD12 . 30537 1 1311 . 1 1 134 134 ILE HD13 H 1 0.58 0.02 . 1 . . . . A 134 ILE HD13 . 30537 1 1312 . 1 1 134 134 ILE C C 13 177.5 0.2 . 1 . . . . A 134 ILE C . 30537 1 1313 . 1 1 134 134 ILE CA C 13 60.1 0.2 . 1 . . . . A 134 ILE CA . 30537 1 1314 . 1 1 134 134 ILE CB C 13 36.7 0.2 . 1 . . . . A 134 ILE CB . 30537 1 1315 . 1 1 134 134 ILE CG2 C 13 16.0 0.2 . 1 . . . . A 134 ILE CG2 . 30537 1 1316 . 1 1 134 134 ILE CD1 C 13 11.3 0.2 . 1 . . . . A 134 ILE CD1 . 30537 1 1317 . 1 1 134 134 ILE N N 15 119.8 0.2 . 1 . . . . A 134 ILE N . 30537 1 stop_ save_