data_50513 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50513 _Entry.Title ; Backbone chemical shift assignments for the Betacoronavirus SARS-CoV-2 non-structural protein Nsp9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-15 _Entry.Accession_date 2020-10-15 _Entry.Last_release_date 2020-10-15 _Entry.Original_release_date 2020-10-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Garry Buchko . W. . 0000-0002-3639-1061 50513 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Seattle Structural Genomics Center for Infectious Disease' . 50513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 50513 '15N chemical shifts' 92 50513 '1H chemical shifts' 346 50513 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 2 . . 2021-06-03 2020-10-15 update BMRB 'update entry citation' 50513 1 . . 2020-11-10 2020-10-15 original author 'original release' 50513 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50513 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33392924 _Citation.DOI 10.1021/bi011870b _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignments for the SARS-CoV-2 non-structural protein Nsp9: intermediate (ms - us) dynamics in the C-terminal helix at the dimer interface. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 107 _Citation.Page_last 116 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . . 50513 1 2 Mowei Zhou . . . . 50513 1 3 Justin Craig . C. . . 50513 1 4 Wesley 'Van Voorhis' . C. . . 50513 1 5 Peter Myler . J. . . 50513 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SARS-CoV-2 50513 1 SSGCID 50513 1 'non-structural protein' 50513 1 'protein dynamics' 50513 1 'viral replication' 50513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50513 _Assembly.ID 1 _Assembly.Name homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Nsp9, chain 1' 1 $entity_1 . . yes native no no . . . 50513 1 2 'Nsp9, chain 2' 1 $entity_1 . . yes native no no . . . 50513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50513 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGENLYFQG HMNNELSPVALRQMSCAAGT TQTACTDDNALAYYNTTKGG RFVLALLSDLQDLKWARFPK SDGTGTIYTELEPPCRFVTD TPKGPKVKYLYFIKGLNNLN RGMVLGSLAATVRLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; First 22 residues are a non-native tag and given negative numbers starting with the first residue (-21). First native residue is the 23st residue from the start of the sequence. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'May play a role in viral replication' 50513 1 'Shown to bind oligonucleotides' 50513 1 'non-structural protein' 50513 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 -21 MET . 50513 1 2 -20 GLY . 50513 1 3 -19 SER . 50513 1 4 -18 SER . 50513 1 5 -17 HIS . 50513 1 6 -16 HIS . 50513 1 7 -15 HIS . 50513 1 8 -14 HIS . 50513 1 9 -13 HIS . 50513 1 10 -12 HIS . 50513 1 11 -11 SER . 50513 1 12 -10 SER . 50513 1 13 -9 GLY . 50513 1 14 -8 GLU . 50513 1 15 -7 ASN . 50513 1 16 -6 LEU . 50513 1 17 -5 TYR . 50513 1 18 -4 PHE . 50513 1 19 -3 GLN . 50513 1 20 -2 GLY . 50513 1 21 -1 HIS . 50513 1 22 0 MET . 50513 1 23 1 ASN . 50513 1 24 2 ASN . 50513 1 25 3 GLU . 50513 1 26 4 LEU . 50513 1 27 5 SER . 50513 1 28 6 PRO . 50513 1 29 7 VAL . 50513 1 30 8 ALA . 50513 1 31 9 LEU . 50513 1 32 10 ARG . 50513 1 33 11 GLN . 50513 1 34 12 MET . 50513 1 35 13 SER . 50513 1 36 14 CYS . 50513 1 37 15 ALA . 50513 1 38 16 ALA . 50513 1 39 17 GLY . 50513 1 40 18 THR . 50513 1 41 19 THR . 50513 1 42 20 GLN . 50513 1 43 21 THR . 50513 1 44 22 ALA . 50513 1 45 23 CYS . 50513 1 46 24 THR . 50513 1 47 25 ASP . 50513 1 48 26 ASP . 50513 1 49 27 ASN . 50513 1 50 28 ALA . 50513 1 51 29 LEU . 50513 1 52 30 ALA . 50513 1 53 31 TYR . 50513 1 54 32 TYR . 50513 1 55 33 ASN . 50513 1 56 34 THR . 50513 1 57 35 THR . 50513 1 58 36 LYS . 50513 1 59 37 GLY . 50513 1 60 38 GLY . 50513 1 61 39 ARG . 50513 1 62 40 PHE . 50513 1 63 41 VAL . 50513 1 64 42 LEU . 50513 1 65 43 ALA . 50513 1 66 44 LEU . 50513 1 67 45 LEU . 50513 1 68 46 SER . 50513 1 69 47 ASP . 50513 1 70 48 LEU . 50513 1 71 49 GLN . 50513 1 72 50 ASP . 50513 1 73 51 LEU . 50513 1 74 52 LYS . 50513 1 75 53 TRP . 50513 1 76 54 ALA . 50513 1 77 55 ARG . 50513 1 78 56 PHE . 50513 1 79 57 PRO . 50513 1 80 58 LYS . 50513 1 81 59 SER . 50513 1 82 60 ASP . 50513 1 83 61 GLY . 50513 1 84 62 THR . 50513 1 85 63 GLY . 50513 1 86 64 THR . 50513 1 87 65 ILE . 50513 1 88 66 TYR . 50513 1 89 67 THR . 50513 1 90 68 GLU . 50513 1 91 69 LEU . 50513 1 92 70 GLU . 50513 1 93 71 PRO . 50513 1 94 72 PRO . 50513 1 95 73 CYS . 50513 1 96 74 ARG . 50513 1 97 75 PHE . 50513 1 98 76 VAL . 50513 1 99 77 THR . 50513 1 100 78 ASP . 50513 1 101 79 THR . 50513 1 102 80 PRO . 50513 1 103 81 LYS . 50513 1 104 82 GLY . 50513 1 105 83 PRO . 50513 1 106 84 LYS . 50513 1 107 85 VAL . 50513 1 108 86 LYS . 50513 1 109 87 TYR . 50513 1 110 88 LEU . 50513 1 111 89 TYR . 50513 1 112 90 PHE . 50513 1 113 91 ILE . 50513 1 114 92 LYS . 50513 1 115 93 GLY . 50513 1 116 94 LEU . 50513 1 117 95 ASN . 50513 1 118 96 ASN . 50513 1 119 97 LEU . 50513 1 120 98 ASN . 50513 1 121 99 ARG . 50513 1 122 100 GLY . 50513 1 123 101 MET . 50513 1 124 102 VAL . 50513 1 125 103 LEU . 50513 1 126 104 GLY . 50513 1 127 105 SER . 50513 1 128 106 LEU . 50513 1 129 107 ALA . 50513 1 130 108 ALA . 50513 1 131 109 THR . 50513 1 132 110 VAL . 50513 1 133 111 ARG . 50513 1 134 112 LEU . 50513 1 135 113 GLN . 50513 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50513 1 . GLY 2 2 50513 1 . SER 3 3 50513 1 . SER 4 4 50513 1 . HIS 5 5 50513 1 . HIS 6 6 50513 1 . HIS 7 7 50513 1 . HIS 8 8 50513 1 . HIS 9 9 50513 1 . HIS 10 10 50513 1 . SER 11 11 50513 1 . SER 12 12 50513 1 . GLY 13 13 50513 1 . GLU 14 14 50513 1 . ASN 15 15 50513 1 . LEU 16 16 50513 1 . TYR 17 17 50513 1 . PHE 18 18 50513 1 . GLN 19 19 50513 1 . GLY 20 20 50513 1 . HIS 21 21 50513 1 . MET 22 22 50513 1 . ASN 23 23 50513 1 . ASN 24 24 50513 1 . GLU 25 25 50513 1 . LEU 26 26 50513 1 . SER 27 27 50513 1 . PRO 28 28 50513 1 . VAL 29 29 50513 1 . ALA 30 30 50513 1 . LEU 31 31 50513 1 . ARG 32 32 50513 1 . GLN 33 33 50513 1 . MET 34 34 50513 1 . SER 35 35 50513 1 . CYS 36 36 50513 1 . ALA 37 37 50513 1 . ALA 38 38 50513 1 . GLY 39 39 50513 1 . THR 40 40 50513 1 . THR 41 41 50513 1 . GLN 42 42 50513 1 . THR 43 43 50513 1 . ALA 44 44 50513 1 . CYS 45 45 50513 1 . THR 46 46 50513 1 . ASP 47 47 50513 1 . ASP 48 48 50513 1 . ASN 49 49 50513 1 . ALA 50 50 50513 1 . LEU 51 51 50513 1 . ALA 52 52 50513 1 . TYR 53 53 50513 1 . TYR 54 54 50513 1 . ASN 55 55 50513 1 . THR 56 56 50513 1 . THR 57 57 50513 1 . LYS 58 58 50513 1 . GLY 59 59 50513 1 . GLY 60 60 50513 1 . ARG 61 61 50513 1 . PHE 62 62 50513 1 . VAL 63 63 50513 1 . LEU 64 64 50513 1 . ALA 65 65 50513 1 . LEU 66 66 50513 1 . LEU 67 67 50513 1 . SER 68 68 50513 1 . ASP 69 69 50513 1 . LEU 70 70 50513 1 . GLN 71 71 50513 1 . ASP 72 72 50513 1 . LEU 73 73 50513 1 . LYS 74 74 50513 1 . TRP 75 75 50513 1 . ALA 76 76 50513 1 . ARG 77 77 50513 1 . PHE 78 78 50513 1 . PRO 79 79 50513 1 . LYS 80 80 50513 1 . SER 81 81 50513 1 . ASP 82 82 50513 1 . GLY 83 83 50513 1 . THR 84 84 50513 1 . GLY 85 85 50513 1 . THR 86 86 50513 1 . ILE 87 87 50513 1 . TYR 88 88 50513 1 . THR 89 89 50513 1 . GLU 90 90 50513 1 . LEU 91 91 50513 1 . GLU 92 92 50513 1 . PRO 93 93 50513 1 . PRO 94 94 50513 1 . CYS 95 95 50513 1 . ARG 96 96 50513 1 . PHE 97 97 50513 1 . VAL 98 98 50513 1 . THR 99 99 50513 1 . ASP 100 100 50513 1 . THR 101 101 50513 1 . PRO 102 102 50513 1 . LYS 103 103 50513 1 . GLY 104 104 50513 1 . PRO 105 105 50513 1 . LYS 106 106 50513 1 . VAL 107 107 50513 1 . LYS 108 108 50513 1 . TYR 109 109 50513 1 . LEU 110 110 50513 1 . TYR 111 111 50513 1 . PHE 112 112 50513 1 . ILE 113 113 50513 1 . LYS 114 114 50513 1 . GLY 115 115 50513 1 . LEU 116 116 50513 1 . ASN 117 117 50513 1 . ASN 118 118 50513 1 . LEU 119 119 50513 1 . ASN 120 120 50513 1 . ARG 121 121 50513 1 . GLY 122 122 50513 1 . MET 123 123 50513 1 . VAL 124 124 50513 1 . LEU 125 125 50513 1 . GLY 126 126 50513 1 . SER 127 127 50513 1 . LEU 128 128 50513 1 . ALA 129 129 50513 1 . ALA 130 130 50513 1 . THR 131 131 50513 1 . VAL 132 132 50513 1 . ARG 133 133 50513 1 . LEU 134 134 50513 1 . GLN 135 135 50513 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50513 _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 . 2697049 organism . 'Betacoronavirus SARS-CoV-2' SARS-CoV-2 . . Viruses . Betacoronavirus SARS-CoV-2 Wuhan-Hu-1 . . . . . . . . . . Orf1a . 50513 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50513 _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' . . . Escherichia coli BL21(DE3)pLyS . . plasmid . . pET28a-TEV . . . 50513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50513 _Sample.ID 1 _Sample.Name Uncut _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Nsp9 '[U-98% 13C; U-98% 15N; U-70% 2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50513 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50513 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50513 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50513 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50513 _Sample.ID 2 _Sample.Name Cut _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The N-terminal tag was removed, leaving 3 scar residues at the N-terminus, GHM-' _Sample.Aggregate_sample_number 1 _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 Nsp9 '[U-98% % 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50513 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50513 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50513 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50513 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50513 _Sample_condition_list.ID 1 _Sample_condition_list.Name all _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' 120 2 mM 50513 1 pH 7 0.1 pH 50513 1 pressure 1 . atm 50513 1 temperature 303 1 K 50513 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50513 _Software.ID 1 _Software.Type . _Software.Name SPARKY1.414 _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50513 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50513 _Software.ID 2 _Software.Type . _Software.Name FELIX _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50513 2 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 50513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50513 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 50513 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 7 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 9 '3D 15N edited NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 10 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 13 '3D 13C-edited NOESY aliph' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 14 '3D 15N-edited TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 1 16 '3D HNCACB B-optimized' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50513 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 50513 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Nsp9 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50513 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50513 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50513 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 50513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Nsp9 _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' . . . 50513 1 3 '3D HNCACB' . . . 50513 1 5 '3D HNCO' . . . 50513 1 6 '3D HNCACO' . . . 50513 1 10 '3D CCH-TOCSY' . . . 50513 1 11 '3D HCCH-TOCSY' . . . 50513 1 12 '2D (HB)CB(CGCD)HD' . . . 50513 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50513 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 16 16 LEU CA C 13 52.5 0.2 . 1 . . . . . -6 LEU CA . 50513 1 2 . 1 . 1 16 16 LEU CB C 13 39.7 0.2 . 1 . . . . . -6 LEU CB . 50513 1 3 . 1 . 1 17 17 TYR H H 1 7.91 0.02 . 1 . . . . . -5 TYR H . 50513 1 4 . 1 . 1 17 17 TYR CA C 13 50.7 0.2 . 1 . . . . . -5 TYR CA . 50513 1 5 . 1 . 1 17 17 TYR CB C 13 36.0 0.2 . 1 . . . . . -5 TYR CB . 50513 1 6 . 1 . 1 17 17 TYR N N 15 119.4 0.2 . 1 . . . . . -5 TYR N . 50513 1 7 . 1 . 1 18 18 PHE H H 1 7.99 0.02 . 1 . . . . . -4 PHE H . 50513 1 8 . 1 . 1 18 18 PHE CB C 13 39.6 0.2 . 1 . . . . . -4 PHE CB . 50513 1 9 . 1 . 1 18 18 PHE N N 15 121.8 0.2 . 1 . . . . . -4 PHE N . 50513 1 10 . 1 . 1 20 20 GLY C C 13 174.2 0.2 . 1 . . . . . -2 GLY C . 50513 1 11 . 1 . 1 20 20 GLY CA C 13 43.0 0.2 . 1 . . . . . -2 GLY CA . 50513 1 12 . 1 . 1 21 21 HIS H H 1 8.19 0.02 . 1 . . . . . -1 HIS H . 50513 1 13 . 1 . 1 21 21 HIS C C 13 176.1 0.2 . 1 . . . . . -1 HIS C . 50513 1 14 . 1 . 1 21 21 HIS CA C 13 53.4 0.2 . 1 . . . . . -1 HIS CA . 50513 1 15 . 1 . 1 21 21 HIS CB C 13 27.6 0.2 . 1 . . . . . -1 HIS CB . 50513 1 16 . 1 . 1 21 21 HIS N N 15 119.9 0.2 . 1 . . . . . -1 HIS N . 50513 1 17 . 1 . 1 29 29 VAL C C 13 174.7 0.2 . 1 . . . . . 7 VAL C . 50513 1 18 . 1 . 1 29 29 VAL CA C 13 59.9 0.2 . 1 . . . . . 7 VAL CA . 50513 1 19 . 1 . 1 29 29 VAL CB C 13 30.3 0.3 . 1 . . . . . 7 VAL CB . 50513 1 20 . 1 . 1 30 30 ALA H H 1 8.21 0.02 . 1 . . . . . 8 ALA H . 50513 1 21 . 1 . 1 30 30 ALA HA H 1 4.31 0.02 . 1 . . . . . 8 ALA HA . 50513 1 22 . 1 . 1 30 30 ALA HB1 H 1 1.31 0.02 . 1 . . . . . 8 ALA MB . 50513 1 23 . 1 . 1 30 30 ALA HB2 H 1 1.31 0.02 . 1 . . . . . 8 ALA MB . 50513 1 24 . 1 . 1 30 30 ALA HB3 H 1 1.31 0.02 . 1 . . . . . 8 ALA MB . 50513 1 25 . 1 . 1 30 30 ALA C C 13 176.9 0.2 . 1 . . . . . 8 ALA C . 50513 1 26 . 1 . 1 30 30 ALA CA C 13 49.5 0.2 . 1 . . . . . 8 ALA CA . 50513 1 27 . 1 . 1 30 30 ALA CB C 13 16.4 0.2 . 1 . . . . . 8 ALA CB . 50513 1 28 . 1 . 1 30 30 ALA N N 15 127.4 0.2 . 1 . . . . . 8 ALA N . 50513 1 29 . 1 . 1 31 31 LEU H H 1 8.21 0.02 . 1 . . . . . 9 LEU H . 50513 1 30 . 1 . 1 31 31 LEU HA H 1 4.49 0.02 . 1 . . . . . 9 LEU HA . 50513 1 31 . 1 . 1 31 31 LEU C C 13 176.6 0.2 . 1 . . . . . 9 LEU C . 50513 1 32 . 1 . 1 31 31 LEU CA C 13 52.2 0.2 . 1 . . . . . 9 LEU CA . 50513 1 33 . 1 . 1 31 31 LEU CB C 13 40.0 0.2 . 1 . . . . . 9 LEU CB . 50513 1 34 . 1 . 1 31 31 LEU N N 15 121.7 0.2 . 1 . . . . . 9 LEU N . 50513 1 35 . 1 . 1 32 32 ARG H H 1 8.23 0.02 . 1 . . . . . 10 ARG H . 50513 1 36 . 1 . 1 32 32 ARG HA H 1 4.42 0.02 . 1 . . . . . 10 ARG HA . 50513 1 37 . 1 . 1 32 32 ARG C C 13 174.1 0.2 . 1 . . . . . 10 ARG C . 50513 1 38 . 1 . 1 32 32 ARG CA C 13 51.7 0.2 . 1 . . . . . 10 ARG CA . 50513 1 39 . 1 . 1 32 32 ARG CB C 13 30.1 0.2 . 1 . . . . . 10 ARG CB . 50513 1 40 . 1 . 1 32 32 ARG CG C 13 24.8 0.2 . 1 . . . . . 10 ARG CG . 50513 1 41 . 1 . 1 32 32 ARG CD C 13 40.7 0.2 . 1 . . . . . 10 ARG CD . 50513 1 42 . 1 . 1 32 32 ARG N N 15 122.7 0.2 . 1 . . . . . 10 ARG N . 50513 1 43 . 1 . 1 33 33 GLN H H 1 8.18 0.02 . 1 . . . . . 11 GLN H . 50513 1 44 . 1 . 1 33 33 GLN HA H 1 5.74 0.02 . 1 . . . . . 11 GLN HA . 50513 1 45 . 1 . 1 33 33 GLN HB2 H 1 1.69 0.02 . 2 . . . . . 11 GLN HB2 . 50513 1 46 . 1 . 1 33 33 GLN HB3 H 1 1.69 0.02 . 2 . . . . . 11 GLN HB3 . 50513 1 47 . 1 . 1 33 33 GLN HG2 H 1 1.78 0.02 . 2 . . . . . 11 GLN HG2 . 50513 1 48 . 1 . 1 33 33 GLN HG3 H 1 1.70 0.02 . 2 . . . . . 11 GLN HG3 . 50513 1 49 . 1 . 1 33 33 GLN C C 13 176.2 0.2 . 1 . . . . . 11 GLN C . 50513 1 50 . 1 . 1 33 33 GLN CA C 13 51.3 0.2 . 1 . . . . . 11 GLN CA . 50513 1 51 . 1 . 1 33 33 GLN CB C 13 30.1 0.2 . 1 . . . . . 11 GLN CB . 50513 1 52 . 1 . 1 33 33 GLN CG C 13 30.8 0.2 . 1 . . . . . 11 GLN CG . 50513 1 53 . 1 . 1 33 33 GLN N N 15 114.4 0.2 . 1 . . . . . 11 GLN N . 50513 1 54 . 1 . 1 34 34 MET H H 1 9.04 0.02 . 1 . . . . . 12 MET H . 50513 1 55 . 1 . 1 34 34 MET HA H 1 4.98 0.02 . 1 . . . . . 12 MET HA . 50513 1 56 . 1 . 1 34 34 MET C C 13 174.0 0.2 . 1 . . . . . 12 MET C . 50513 1 57 . 1 . 1 34 34 MET CA C 13 52.1 0.2 . 1 . . . . . 12 MET CA . 50513 1 58 . 1 . 1 34 34 MET CB C 13 33.2 0.2 . 1 . . . . . 12 MET CB . 50513 1 59 . 1 . 1 34 34 MET N N 15 118.3 0.2 . 1 . . . . . 12 MET N . 50513 1 60 . 1 . 1 35 35 SER H H 1 8.85 0.02 . 1 . . . . . 13 SER H . 50513 1 61 . 1 . 1 35 35 SER C C 13 174.2 0.2 . 1 . . . . . 13 SER C . 50513 1 62 . 1 . 1 35 35 SER CA C 13 56.7 0.2 . 1 . . . . . 13 SER CA . 50513 1 63 . 1 . 1 35 35 SER CB C 13 61.6 0.2 . 1 . . . . . 13 SER CB . 50513 1 64 . 1 . 1 35 35 SER N N 15 119.0 0.2 . 1 . . . . . 13 SER N . 50513 1 65 . 1 . 1 36 36 CYS H H 1 8.68 0.02 . 1 . . . . . 14 CYS H . 50513 1 66 . 1 . 1 36 36 CYS HA H 1 4.98 0.02 . 1 . . . . . 14 CYS HA . 50513 1 67 . 1 . 1 36 36 CYS C C 13 170.6 0.2 . 1 . . . . . 14 CYS C . 50513 1 68 . 1 . 1 36 36 CYS CA C 13 54.4 0.2 . 1 . . . . . 14 CYS CA . 50513 1 69 . 1 . 1 36 36 CYS CB C 13 29.6 0.2 . 1 . . . . . 14 CYS CB . 50513 1 70 . 1 . 1 36 36 CYS N N 15 118.6 0.2 . 1 . . . . . 14 CYS N . 50513 1 71 . 1 . 1 37 37 ALA H H 1 7.74 0.02 . 1 . . . . . 15 ALA H . 50513 1 72 . 1 . 1 37 37 ALA HA H 1 5.04 0.02 . 1 . . . . . 15 ALA HA . 50513 1 73 . 1 . 1 37 37 ALA HB1 H 1 1.12 0.02 . 1 . . . . . 15 ALA MB . 50513 1 74 . 1 . 1 37 37 ALA HB2 H 1 1.12 0.02 . 1 . . . . . 15 ALA MB . 50513 1 75 . 1 . 1 37 37 ALA HB3 H 1 1.12 0.02 . 1 . . . . . 15 ALA MB . 50513 1 76 . 1 . 1 37 37 ALA C C 13 175.5 0.2 . 1 . . . . . 15 ALA C . 50513 1 77 . 1 . 1 37 37 ALA CA C 13 48.5 0.2 . 1 . . . . . 15 ALA CA . 50513 1 78 . 1 . 1 37 37 ALA CB C 13 18.7 0.2 . 1 . . . . . 15 ALA CB . 50513 1 79 . 1 . 1 37 37 ALA N N 15 121.9 0.2 . 1 . . . . . 15 ALA N . 50513 1 80 . 1 . 1 38 38 ALA H H 1 8.91 0.02 . 1 . . . . . 16 ALA H . 50513 1 81 . 1 . 1 38 38 ALA HA H 1 5.42 0.02 . 1 . . . . . 16 ALA HA . 50513 1 82 . 1 . 1 38 38 ALA HB1 H 1 1.28 0.02 . 1 . . . . . 16 ALA MB . 50513 1 83 . 1 . 1 38 38 ALA HB2 H 1 1.28 0.02 . 1 . . . . . 16 ALA MB . 50513 1 84 . 1 . 1 38 38 ALA HB3 H 1 1.28 0.02 . 1 . . . . . 16 ALA MB . 50513 1 85 . 1 . 1 38 38 ALA C C 13 177.6 0.5 . 1 . . . . . 16 ALA C . 50513 1 86 . 1 . 1 38 38 ALA CA C 13 48.6 0.2 . 1 . . . . . 16 ALA CA . 50513 1 87 . 1 . 1 38 38 ALA CB C 13 21.8 0.2 . 1 . . . . . 16 ALA CB . 50513 1 88 . 1 . 1 38 38 ALA N N 15 123.7 0.2 . 1 . . . . . 16 ALA N . 50513 1 89 . 1 . 1 39 39 GLY H H 1 8.81 0.02 . 1 . . . . . 17 GLY H . 50513 1 90 . 1 . 1 39 39 GLY C C 13 174.5 0.2 . 1 . . . . . 17 GLY C . 50513 1 91 . 1 . 1 39 39 GLY CA C 13 43.3 0.2 . 1 . . . . . 17 GLY CA . 50513 1 92 . 1 . 1 39 39 GLY N N 15 107.0 0.2 . 1 . . . . . 17 GLY N . 50513 1 93 . 1 . 1 40 40 THR H H 1 9.28 0.02 . 1 . . . . . 18 THR H . 50513 1 94 . 1 . 1 40 40 THR C C 13 173.7 0.2 . 1 . . . . . 18 THR C . 50513 1 95 . 1 . 1 40 40 THR CA C 13 62.2 0.2 . 1 . . . . . 18 THR CA . 50513 1 96 . 1 . 1 40 40 THR CB C 13 66.8 0.2 . 1 . . . . . 18 THR CB . 50513 1 97 . 1 . 1 40 40 THR N N 15 116.1 0.2 . 1 . . . . . 18 THR N . 50513 1 98 . 1 . 1 41 41 THR H H 1 7.23 0.02 . 1 . . . . . 19 THR H . 50513 1 99 . 1 . 1 41 41 THR HA H 1 4.58 0.02 . 1 . . . . . 19 THR HA . 50513 1 100 . 1 . 1 41 41 THR C C 13 174.5 0.2 . 1 . . . . . 19 THR C . 50513 1 101 . 1 . 1 41 41 THR CA C 13 56.9 0.2 . 1 . . . . . 19 THR CA . 50513 1 102 . 1 . 1 41 41 THR CB C 13 69.6 0.2 . 1 . . . . . 19 THR CB . 50513 1 103 . 1 . 1 41 41 THR CG2 C 13 19.6 0.2 . 1 . . . . . 19 THR CG2 . 50513 1 104 . 1 . 1 41 41 THR N N 15 108.3 0.2 . 1 . . . . . 19 THR N . 50513 1 105 . 1 . 1 42 42 GLN C C 13 178.0 0.2 . 1 . . . . . 20 GLN C . 50513 1 106 . 1 . 1 43 43 THR H H 1 7.46 0.02 . 1 . . . . . 21 THR H . 50513 1 107 . 1 . 1 43 43 THR C C 13 174.7 0.2 . 1 . . . . . 21 THR C . 50513 1 108 . 1 . 1 43 43 THR CA C 13 60.9 0.2 . 1 . . . . . 21 THR CA . 50513 1 109 . 1 . 1 43 43 THR CB C 13 66.3 0.2 . 1 . . . . . 21 THR CB . 50513 1 110 . 1 . 1 43 43 THR CG2 C 13 19.0 0.2 . 1 . . . . . 21 THR CG2 . 50513 1 111 . 1 . 1 43 43 THR N N 15 107.7 0.2 . 1 . . . . . 21 THR N . 50513 1 112 . 1 . 1 44 44 ALA H H 1 7.26 0.02 . 1 . . . . . 22 ALA H . 50513 1 113 . 1 . 1 44 44 ALA HA H 1 4.47 0.02 . 1 . . . . . 22 ALA HA . 50513 1 114 . 1 . 1 44 44 ALA HB1 H 1 1.40 0.02 . 1 . . . . . 22 ALA MB . 50513 1 115 . 1 . 1 44 44 ALA HB2 H 1 1.40 0.02 . 1 . . . . . 22 ALA MB . 50513 1 116 . 1 . 1 44 44 ALA HB3 H 1 1.40 0.02 . 1 . . . . . 22 ALA MB . 50513 1 117 . 1 . 1 44 44 ALA C C 13 177.2 0.2 . 1 . . . . . 22 ALA C . 50513 1 118 . 1 . 1 44 44 ALA CA C 13 49.2 0.2 . 1 . . . . . 22 ALA CA . 50513 1 119 . 1 . 1 44 44 ALA CB C 13 16.8 0.2 . 1 . . . . . 22 ALA CB . 50513 1 120 . 1 . 1 44 44 ALA N N 15 122.6 0.2 . 1 . . . . . 22 ALA N . 50513 1 121 . 1 . 1 45 45 CYS H H 1 7.35 0.02 . 1 . . . . . 23 CYS H . 50513 1 122 . 1 . 1 45 45 CYS HA H 1 4.23 0.02 . 1 . . . . . 23 CYS HA . 50513 1 123 . 1 . 1 45 45 CYS HB2 H 1 3.14 0.02 . 2 . . . . . 23 CYS HB2 . 50513 1 124 . 1 . 1 45 45 CYS HB3 H 1 2.22 0.02 . 2 . . . . . 23 CYS HB3 . 50513 1 125 . 1 . 1 45 45 CYS C C 13 174.4 0.2 . 1 . . . . . 23 CYS C . 50513 1 126 . 1 . 1 45 45 CYS CA C 13 57.2 0.2 . 1 . . . . . 23 CYS CA . 50513 1 127 . 1 . 1 45 45 CYS CB C 13 24.9 0.2 . 1 . . . . . 23 CYS CB . 50513 1 128 . 1 . 1 45 45 CYS N N 15 117.9 0.2 . 1 . . . . . 23 CYS N . 50513 1 129 . 1 . 1 46 46 THR H H 1 8.33 0.02 . 1 . . . . . 24 THR H . 50513 1 130 . 1 . 1 46 46 THR HA H 1 4.34 0.02 . 1 . . . . . 24 THR HA . 50513 1 131 . 1 . 1 46 46 THR HG21 H 1 1.12 0.2 . 1 . . . . . 24 THR MG . 50513 1 132 . 1 . 1 46 46 THR HG22 H 1 1.12 0.2 . 1 . . . . . 24 THR MG . 50513 1 133 . 1 . 1 46 46 THR HG23 H 1 1.12 0.2 . 1 . . . . . 24 THR MG . 50513 1 134 . 1 . 1 46 46 THR C C 13 173.4 0.2 . 1 . . . . . 24 THR C . 50513 1 135 . 1 . 1 46 46 THR CA C 13 59.0 0.2 . 1 . . . . . 24 THR CA . 50513 1 136 . 1 . 1 46 46 THR CB C 13 67.8 0.2 . 1 . . . . . 24 THR CB . 50513 1 137 . 1 . 1 46 46 THR CG2 C 13 18.8 0.2 . 1 . . . . . 24 THR CG2 . 50513 1 138 . 1 . 1 46 46 THR N N 15 118.0 0.2 . 1 . . . . . 24 THR N . 50513 1 139 . 1 . 1 47 47 ASP H H 1 8.26 0.02 . 1 . . . . . 25 ASP H . 50513 1 140 . 1 . 1 47 47 ASP HA H 1 4.57 0.02 . 1 . . . . . 25 ASP HA . 50513 1 141 . 1 . 1 47 47 ASP HB2 H 1 2.57 0.02 . 2 . . . . . 25 ASP HB2 . 50513 1 142 . 1 . 1 47 47 ASP HB3 H 1 2.45 0.02 . 2 . . . . . 25 ASP HB3 . 50513 1 143 . 1 . 1 47 47 ASP C C 13 175.7 0.2 . 1 . . . . . 25 ASP C . 50513 1 144 . 1 . 1 47 47 ASP CA C 13 52.1 0.2 . 1 . . . . . 25 ASP CA . 50513 1 145 . 1 . 1 47 47 ASP CB C 13 40.0 0.2 . 1 . . . . . 25 ASP CB . 50513 1 146 . 1 . 1 47 47 ASP N N 15 122.3 0.2 . 1 . . . . . 25 ASP N . 50513 1 147 . 1 . 1 48 48 ASP H H 1 8.48 0.02 . 1 . . . . . 26 ASP H . 50513 1 148 . 1 . 1 48 48 ASP HA H 1 4.34 0.02 . 1 . . . . . 26 ASP HA . 50513 1 149 . 1 . 1 48 48 ASP HB2 H 1 2.62 0.02 . 2 . . . . . 26 ASP HB2 . 50513 1 150 . 1 . 1 48 48 ASP HB3 H 1 2.62 0.02 . 2 . . . . . 26 ASP HB3 . 50513 1 151 . 1 . 1 48 48 ASP C C 13 176.3 0.2 . 1 . . . . . 26 ASP C . 50513 1 152 . 1 . 1 48 48 ASP CA C 13 53.2 0.2 . 1 . . . . . 26 ASP CA . 50513 1 153 . 1 . 1 48 48 ASP CB C 13 36.9 0.2 . 1 . . . . . 26 ASP CB . 50513 1 154 . 1 . 1 48 48 ASP N N 15 119.9 0.2 . 1 . . . . . 26 ASP N . 50513 1 155 . 1 . 1 49 49 ASN H H 1 8.54 0.02 . 1 . . . . . 27 ASN H . 50513 1 156 . 1 . 1 49 49 ASN HA H 1 4.86 0.02 . 1 . . . . . 27 ASN HA . 50513 1 157 . 1 . 1 49 49 ASN HB2 H 1 2.72 0.02 . 2 . . . . . 27 ASN HB2 . 50513 1 158 . 1 . 1 49 49 ASN HB3 H 1 2.61 0.02 . 2 . . . . . 27 ASN HB3 . 50513 1 159 . 1 . 1 49 49 ASN C C 13 174.7 0.2 . 1 . . . . . 27 ASN C . 50513 1 160 . 1 . 1 49 49 ASN CA C 13 50.0 0.2 . 1 . . . . . 27 ASN CA . 50513 1 161 . 1 . 1 49 49 ASN CB C 13 36.0 0.2 . 1 . . . . . 27 ASN CB . 50513 1 162 . 1 . 1 49 49 ASN N N 15 120.2 0.2 . 1 . . . . . 27 ASN N . 50513 1 163 . 1 . 1 50 50 ALA H H 1 8.32 0.02 . 1 . . . . . 28 ALA H . 50513 1 164 . 1 . 1 50 50 ALA HA H 1 4.84 0.02 . 1 . . . . . 28 ALA HA . 50513 1 165 . 1 . 1 50 50 ALA HB1 H 1 1.22 0.02 . 1 . . . . . 28 ALA MB . 50513 1 166 . 1 . 1 50 50 ALA HB2 H 1 1.22 0.02 . 1 . . . . . 28 ALA MB . 50513 1 167 . 1 . 1 50 50 ALA HB3 H 1 1.22 0.02 . 1 . . . . . 28 ALA MB . 50513 1 168 . 1 . 1 50 50 ALA C C 13 174.9 0.2 . 1 . . . . . 28 ALA C . 50513 1 169 . 1 . 1 50 50 ALA CA C 13 48.9 0.2 . 1 . . . . . 28 ALA CA . 50513 1 170 . 1 . 1 50 50 ALA CB C 13 19.7 0.2 . 1 . . . . . 28 ALA CB . 50513 1 171 . 1 . 1 50 50 ALA N N 15 121.4 0.2 . 1 . . . . . 28 ALA N . 50513 1 172 . 1 . 1 51 51 LEU H H 1 8.59 0.02 . 1 . . . . . 29 LEU H . 50513 1 173 . 1 . 1 51 51 LEU HA H 1 4.95 0.02 . 1 . . . . . 29 LEU HA . 50513 1 174 . 1 . 1 51 51 LEU HB2 H 1 1.54 0.02 . 2 . . . . . 29 LEU HB2 . 50513 1 175 . 1 . 1 51 51 LEU HB3 H 1 1.35 0.02 . 2 . . . . . 29 LEU HB3 . 50513 1 176 . 1 . 1 51 51 LEU HD11 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD1 . 50513 1 177 . 1 . 1 51 51 LEU HD12 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD1 . 50513 1 178 . 1 . 1 51 51 LEU HD13 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD1 . 50513 1 179 . 1 . 1 51 51 LEU HD21 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD2 . 50513 1 180 . 1 . 1 51 51 LEU HD22 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD2 . 50513 1 181 . 1 . 1 51 51 LEU HD23 H 1 0.71 0.02 . 2 . . . . . 29 LEU MD2 . 50513 1 182 . 1 . 1 51 51 LEU C C 13 175.0 0.2 . 1 . . . . . 29 LEU C . 50513 1 183 . 1 . 1 51 51 LEU CA C 13 51.1 0.2 . 1 . . . . . 29 LEU CA . 50513 1 184 . 1 . 1 51 51 LEU CB C 13 42.4 0.2 . 1 . . . . . 29 LEU CB . 50513 1 185 . 1 . 1 51 51 LEU CG C 13 23.8 0.2 . 1 . . . . . 29 LEU CG . 50513 1 186 . 1 . 1 51 51 LEU CD1 C 13 21.6 0.2 . 2 . . . . . 29 LEU CD1 . 50513 1 187 . 1 . 1 51 51 LEU CD2 C 13 21.6 0.2 . 2 . . . . . 29 LEU CD2 . 50513 1 188 . 1 . 1 51 51 LEU N N 15 120.8 0.2 . 1 . . . . . 29 LEU N . 50513 1 189 . 1 . 1 52 52 ALA H H 1 9.58 0.02 . 1 . . . . . 30 ALA H . 50513 1 190 . 1 . 1 52 52 ALA HA H 1 5.39 0.02 . 1 . . . . . 30 ALA HA . 50513 1 191 . 1 . 1 52 52 ALA HB1 H 1 1.47 0.02 . 1 . . . . . 30 ALA MB . 50513 1 192 . 1 . 1 52 52 ALA HB2 H 1 1.47 0.02 . 1 . . . . . 30 ALA MB . 50513 1 193 . 1 . 1 52 52 ALA HB3 H 1 1.47 0.02 . 1 . . . . . 30 ALA MB . 50513 1 194 . 1 . 1 52 52 ALA C C 13 176.7 0.2 . 1 . . . . . 30 ALA C . 50513 1 195 . 1 . 1 52 52 ALA CA C 13 47.9 0.2 . 1 . . . . . 30 ALA CA . 50513 1 196 . 1 . 1 52 52 ALA CB C 13 18.6 0.2 . 1 . . . . . 30 ALA CB . 50513 1 197 . 1 . 1 52 52 ALA N N 15 125.3 0.2 . 1 . . . . . 30 ALA N . 50513 1 198 . 1 . 1 53 53 TYR H H 1 9.09 0.02 . 1 . . . . . 31 TYR H . 50513 1 199 . 1 . 1 53 53 TYR HA H 1 5.47 0.02 . 1 . . . . . 31 TYR HA . 50513 1 200 . 1 . 1 53 53 TYR HD1 H 1 6.81 0.02 . 3 . . . . . 31 TYR HD1 . 50513 1 201 . 1 . 1 53 53 TYR HD2 H 1 6.81 0.02 . 3 . . . . . 31 TYR HD2 . 50513 1 202 . 1 . 1 53 53 TYR C C 13 176.1 0.2 . 1 . . . . . 31 TYR C . 50513 1 203 . 1 . 1 53 53 TYR CA C 13 54.4 0.2 . 1 . . . . . 31 TYR CA . 50513 1 204 . 1 . 1 53 53 TYR CB C 13 38.3 0.2 . 1 . . . . . 31 TYR CB . 50513 1 205 . 1 . 1 53 53 TYR CD1 C 13 132.1 0.2 . 3 . . . . . 31 TYR CD1 . 50513 1 206 . 1 . 1 53 53 TYR CD2 C 13 132.1 0.2 . 3 . . . . . 31 TYR CD2 . 50513 1 207 . 1 . 1 53 53 TYR N N 15 120.2 0.2 . 1 . . . . . 31 TYR N . 50513 1 208 . 1 . 1 54 54 TYR H H 1 9.25 0.02 . 1 . . . . . 32 TYR H . 50513 1 209 . 1 . 1 54 54 TYR HA H 1 5.58 0.02 . 1 . . . . . 32 TYR HA . 50513 1 210 . 1 . 1 54 54 TYR HD1 H 1 6.72 0.02 . 3 . . . . . 32 TYR HD1 . 50513 1 211 . 1 . 1 54 54 TYR HD2 H 1 6.72 0.02 . 3 . . . . . 32 TYR HD2 . 50513 1 212 . 1 . 1 54 54 TYR C C 13 172.3 0.2 . 1 . . . . . 32 TYR C . 50513 1 213 . 1 . 1 54 54 TYR CA C 13 52.8 0.2 . 1 . . . . . 32 TYR CA . 50513 1 214 . 1 . 1 54 54 TYR CB C 13 40.2 0.2 . 1 . . . . . 32 TYR CB . 50513 1 215 . 1 . 1 54 54 TYR CD1 C 13 133.4 0.2 . 3 . . . . . 32 TYR CD1 . 50513 1 216 . 1 . 1 54 54 TYR CD2 C 13 133.4 0.2 . 3 . . . . . 32 TYR CD2 . 50513 1 217 . 1 . 1 54 54 TYR N N 15 119.4 0.2 . 1 . . . . . 32 TYR N . 50513 1 218 . 1 . 1 55 55 ASN H H 1 8.93 0.02 . 1 . . . . . 33 ASN H . 50513 1 219 . 1 . 1 55 55 ASN HA H 1 5.18 0.02 . 1 . . . . . 33 ASN HA . 50513 1 220 . 1 . 1 55 55 ASN HB2 H 1 2.77 0.02 . 2 . . . . . 33 ASN HB2 . 50513 1 221 . 1 . 1 55 55 ASN HB3 H 1 2.77 0.02 . 2 . . . . . 33 ASN HB3 . 50513 1 222 . 1 . 1 55 55 ASN HD21 H 1 7.33 0.02 . 2 . . . . . 33 ASN HD21 . 50513 1 223 . 1 . 1 55 55 ASN HD22 H 1 6.71 0.02 . 2 . . . . . 33 ASN HD22 . 50513 1 224 . 1 . 1 55 55 ASN C C 13 175.0 0.2 . 1 . . . . . 33 ASN C . 50513 1 225 . 1 . 1 55 55 ASN CA C 13 48.6 0.2 . 1 . . . . . 33 ASN CA . 50513 1 226 . 1 . 1 55 55 ASN CB C 13 39.2 0.2 . 1 . . . . . 33 ASN CB . 50513 1 227 . 1 . 1 55 55 ASN N N 15 117.7 0.2 . 1 . . . . . 33 ASN N . 50513 1 228 . 1 . 1 55 55 ASN ND2 N 15 109.6 0.2 . 1 . . . . . 33 ASN ND2 . 50513 1 229 . 1 . 1 56 56 THR H H 1 8.42 0.02 . 1 . . . . . 34 THR H . 50513 1 230 . 1 . 1 56 56 THR HG21 H 1 1.24 0.2 . 1 . . . . . 34 THR MG . 50513 1 231 . 1 . 1 56 56 THR HG22 H 1 1.24 0.2 . 1 . . . . . 34 THR MG . 50513 1 232 . 1 . 1 56 56 THR HG23 H 1 1.24 0.2 . 1 . . . . . 34 THR MG . 50513 1 233 . 1 . 1 56 56 THR C C 13 174.3 0.2 . 1 . . . . . 34 THR C . 50513 1 234 . 1 . 1 56 56 THR CA C 13 59.7 0.2 . 1 . . . . . 34 THR CA . 50513 1 235 . 1 . 1 56 56 THR CB C 13 67.2 0.2 . 1 . . . . . 34 THR CB . 50513 1 236 . 1 . 1 56 56 THR CG2 C 13 18.8 0.2 . 1 . . . . . 34 THR CG2 . 50513 1 237 . 1 . 1 56 56 THR N N 15 116.5 0.2 . 1 . . . . . 34 THR N . 50513 1 238 . 1 . 1 57 57 THR H H 1 8.33 0.02 . 1 . . . . . 35 THR H . 50513 1 239 . 1 . 1 57 57 THR HA H 1 4.67 0.02 . 1 . . . . . 35 THR HA . 50513 1 240 . 1 . 1 57 57 THR HB H 1 4.39 0.02 . 1 . . . . . 35 THR HB . 50513 1 241 . 1 . 1 57 57 THR HG21 H 1 1.16 0.02 . 1 . . . . . 35 THR MG . 50513 1 242 . 1 . 1 57 57 THR HG22 H 1 1.16 0.02 . 1 . . . . . 35 THR MG . 50513 1 243 . 1 . 1 57 57 THR HG23 H 1 1.16 0.02 . 1 . . . . . 35 THR MG . 50513 1 244 . 1 . 1 57 57 THR C C 13 175.2 0.2 . 1 . . . . . 35 THR C . 50513 1 245 . 1 . 1 57 57 THR CA C 13 58.2 0.2 . 1 . . . . . 35 THR CA . 50513 1 246 . 1 . 1 57 57 THR CB C 13 68.9 0.2 . 1 . . . . . 35 THR CB . 50513 1 247 . 1 . 1 57 57 THR N N 15 117.1 0.2 . 1 . . . . . 35 THR N . 50513 1 248 . 1 . 1 59 59 GLY H H 1 8.34 0.02 . 1 . . . . . 37 GLY H . 50513 1 249 . 1 . 1 59 59 GLY HA2 H 1 4.07 0.02 . 2 . . . . . 37 GLY HA2 . 50513 1 250 . 1 . 1 59 59 GLY HA3 H 1 3.86 0.02 . 2 . . . . . 37 GLY HA3 . 50513 1 251 . 1 . 1 59 59 GLY C C 13 174.2 0.2 . 1 . . . . . 37 GLY C . 50513 1 252 . 1 . 1 59 59 GLY CA C 13 42.6 0.2 . 1 . . . . . 37 GLY CA . 50513 1 253 . 1 . 1 59 59 GLY N N 15 106.5 0.2 . 1 . . . . . 37 GLY N . 50513 1 254 . 1 . 1 60 60 GLY H H 1 7.68 0.02 . 1 . . . . . 38 GLY H . 50513 1 255 . 1 . 1 60 60 GLY HA2 H 1 4.16 0.02 . 2 . . . . . 38 GLY HA2 . 50513 1 256 . 1 . 1 60 60 GLY HA3 H 1 3.90 0.02 . 2 . . . . . 38 GLY HA3 . 50513 1 257 . 1 . 1 60 60 GLY C C 13 172.6 0.2 . 1 . . . . . 38 GLY C . 50513 1 258 . 1 . 1 60 60 GLY CA C 13 42.0 0.2 . 1 . . . . . 38 GLY CA . 50513 1 259 . 1 . 1 60 60 GLY N N 15 108.5 0.2 . 1 . . . . . 38 GLY N . 50513 1 260 . 1 . 1 61 61 ARG H H 1 8.21 0.02 . 1 . . . . . 39 ARG H . 50513 1 261 . 1 . 1 61 61 ARG HB2 H 1 1.58 0.02 . 2 . . . . . 39 ARG HB2 . 50513 1 262 . 1 . 1 61 61 ARG HB3 H 1 1.27 0.02 . 2 . . . . . 39 ARG HB3 . 50513 1 263 . 1 . 1 61 61 ARG HD2 H 1 2.40 0.02 . 2 . . . . . 39 ARG HD2 . 50513 1 264 . 1 . 1 61 61 ARG HD3 H 1 2.24 0.02 . 2 . . . . . 39 ARG HD3 . 50513 1 265 . 1 . 1 61 61 ARG C C 13 175.1 0.2 . 1 . . . . . 39 ARG C . 50513 1 266 . 1 . 1 61 61 ARG CA C 13 53.5 0.2 . 1 . . . . . 39 ARG CA . 50513 1 267 . 1 . 1 61 61 ARG CB C 13 28.7 0.2 . 1 . . . . . 39 ARG CB . 50513 1 268 . 1 . 1 61 61 ARG CG C 13 24.0 0.2 . 1 . . . . . 39 ARG CG . 50513 1 269 . 1 . 1 61 61 ARG CD C 13 40.4 0.2 . 1 . . . . . 39 ARG CD . 50513 1 270 . 1 . 1 61 61 ARG N N 15 120.6 0.2 . 1 . . . . . 39 ARG N . 50513 1 271 . 1 . 1 62 62 PHE H H 1 9.01 0.02 . 1 . . . . . 40 PHE H . 50513 1 272 . 1 . 1 62 62 PHE HA H 1 4.83 0.02 . 1 . . . . . 40 PHE HA . 50513 1 273 . 1 . 1 62 62 PHE HB2 H 1 3.15 0.02 . 2 . . . . . 40 PHE HB2 . 50513 1 274 . 1 . 1 62 62 PHE HB3 H 1 2.88 0.02 . 2 . . . . . 40 PHE HB3 . 50513 1 275 . 1 . 1 62 62 PHE C C 13 174.2 0.2 . 1 . . . . . 40 PHE C . 50513 1 276 . 1 . 1 62 62 PHE CA C 13 53.6 0.2 . 1 . . . . . 40 PHE CA . 50513 1 277 . 1 . 1 62 62 PHE CB C 13 37.9 0.2 . 1 . . . . . 40 PHE CB . 50513 1 278 . 1 . 1 62 62 PHE N N 15 126.0 0.2 . 1 . . . . . 40 PHE N . 50513 1 279 . 1 . 1 63 63 VAL H H 1 8.08 0.02 . 1 . . . . . 41 VAL H . 50513 1 280 . 1 . 1 63 63 VAL HA H 1 3.80 0.02 . 1 . . . . . 41 VAL HA . 50513 1 281 . 1 . 1 63 63 VAL HB H 1 1.36 0.02 . 1 . . . . . 41 VAL HB . 50513 1 282 . 1 . 1 63 63 VAL HG11 H 1 0.60 0.02 . 2 . . . . . 41 VAL MG1 . 50513 1 283 . 1 . 1 63 63 VAL HG12 H 1 0.60 0.02 . 2 . . . . . 41 VAL MG1 . 50513 1 284 . 1 . 1 63 63 VAL HG13 H 1 0.60 0.02 . 2 . . . . . 41 VAL MG1 . 50513 1 285 . 1 . 1 63 63 VAL HG21 H 1 0.06 0.02 . 2 . . . . . 41 VAL MG2 . 50513 1 286 . 1 . 1 63 63 VAL HG22 H 1 0.06 0.02 . 2 . . . . . 41 VAL MG2 . 50513 1 287 . 1 . 1 63 63 VAL HG23 H 1 0.06 0.02 . 2 . . . . . 41 VAL MG2 . 50513 1 288 . 1 . 1 63 63 VAL C C 13 174.3 0.2 . 1 . . . . . 41 VAL C . 50513 1 289 . 1 . 1 63 63 VAL CA C 13 60.7 0.2 . 1 . . . . . 41 VAL CA . 50513 1 290 . 1 . 1 63 63 VAL CB C 13 28.9 0.2 . 1 . . . . . 41 VAL CB . 50513 1 291 . 1 . 1 63 63 VAL CG1 C 13 18.3 0.2 . 2 . . . . . 41 VAL CG1 . 50513 1 292 . 1 . 1 63 63 VAL CG2 C 13 18.3 0.2 . 2 . . . . . 41 VAL CG2 . 50513 1 293 . 1 . 1 63 63 VAL N N 15 126.4 0.2 . 1 . . . . . 41 VAL N . 50513 1 294 . 1 . 1 64 64 LEU H H 1 8.68 0.02 . 1 . . . . . 42 LEU H . 50513 1 295 . 1 . 1 64 64 LEU HA H 1 4.52 0.02 . 1 . . . . . 42 LEU HA . 50513 1 296 . 1 . 1 64 64 LEU HB2 H 1 1.47 0.02 . 2 . . . . . 42 LEU HB2 . 50513 1 297 . 1 . 1 64 64 LEU HB3 H 1 1.33 0.02 . 2 . . . . . 42 LEU HB3 . 50513 1 298 . 1 . 1 64 64 LEU C C 13 176.2 0.2 . 1 . . . . . 42 LEU C . 50513 1 299 . 1 . 1 64 64 LEU CA C 13 53.6 0.2 . 1 . . . . . 42 LEU CA . 50513 1 300 . 1 . 1 64 64 LEU CB C 13 42.5 0.2 . 1 . . . . . 42 LEU CB . 50513 1 301 . 1 . 1 64 64 LEU CG C 13 23.9 0.2 . 1 . . . . . 42 LEU CG . 50513 1 302 . 1 . 1 64 64 LEU CD1 C 13 22.0 0.2 . 2 . . . . . 42 LEU CD1 . 50513 1 303 . 1 . 1 64 64 LEU CD2 C 13 22.0 0.2 . 2 . . . . . 42 LEU CD2 . 50513 1 304 . 1 . 1 64 64 LEU N N 15 123.2 0.2 . 1 . . . . . 42 LEU N . 50513 1 305 . 1 . 1 65 65 ALA H H 1 7.44 0.02 . 1 . . . . . 43 ALA H . 50513 1 306 . 1 . 1 65 65 ALA HA H 1 5.18 0.02 . 1 . . . . . 43 ALA HA . 50513 1 307 . 1 . 1 65 65 ALA HB1 H 1 1.22 0.02 . 1 . . . . . 43 ALA MB . 50513 1 308 . 1 . 1 65 65 ALA HB2 H 1 1.22 0.02 . 1 . . . . . 43 ALA MB . 50513 1 309 . 1 . 1 65 65 ALA HB3 H 1 1.22 0.02 . 1 . . . . . 43 ALA MB . 50513 1 310 . 1 . 1 65 65 ALA C C 13 174.6 0.2 . 1 . . . . . 43 ALA C . 50513 1 311 . 1 . 1 65 65 ALA CA C 13 48.6 0.2 . 1 . . . . . 43 ALA CA . 50513 1 312 . 1 . 1 65 65 ALA CB C 13 21.7 0.2 . 1 . . . . . 43 ALA CB . 50513 1 313 . 1 . 1 65 65 ALA N N 15 114.5 0.2 . 1 . . . . . 43 ALA N . 50513 1 314 . 1 . 1 66 66 LEU H H 1 9.46 0.02 . 1 . . . . . 44 LEU H . 50513 1 315 . 1 . 1 66 66 LEU HA H 1 5.61 0.02 . 1 . . . . . 44 LEU HA . 50513 1 316 . 1 . 1 66 66 LEU HB2 H 1 1.48 0.02 . 2 . . . . . 44 LEU HB2 . 50513 1 317 . 1 . 1 66 66 LEU HB3 H 1 1.34 0.02 . 2 . . . . . 44 LEU HB3 . 50513 1 318 . 1 . 1 66 66 LEU HG H 1 0.58 0.02 . 1 . . . . . 44 LEU HG . 50513 1 319 . 1 . 1 66 66 LEU HD11 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD1 . 50513 1 320 . 1 . 1 66 66 LEU HD12 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD1 . 50513 1 321 . 1 . 1 66 66 LEU HD13 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD1 . 50513 1 322 . 1 . 1 66 66 LEU HD21 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD2 . 50513 1 323 . 1 . 1 66 66 LEU HD22 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD2 . 50513 1 324 . 1 . 1 66 66 LEU HD23 H 1 0.71 0.02 . 2 . . . . . 44 LEU MD2 . 50513 1 325 . 1 . 1 66 66 LEU C C 13 175.2 0.2 . 1 . . . . . 44 LEU C . 50513 1 326 . 1 . 1 66 66 LEU CA C 13 51.3 0.2 . 1 . . . . . 44 LEU CA . 50513 1 327 . 1 . 1 66 66 LEU CB C 13 44.1 0.2 . 1 . . . . . 44 LEU CB . 50513 1 328 . 1 . 1 66 66 LEU CG C 13 24.9 0.2 . 1 . . . . . 44 LEU CG . 50513 1 329 . 1 . 1 66 66 LEU CD1 C 13 21.0 0.2 . 2 . . . . . 44 LEU CD1 . 50513 1 330 . 1 . 1 66 66 LEU CD2 C 13 21.0 0.2 . 2 . . . . . 44 LEU CD2 . 50513 1 331 . 1 . 1 66 66 LEU N N 15 120.2 0.2 . 1 . . . . . 44 LEU N . 50513 1 332 . 1 . 1 67 67 LEU H H 1 9.54 0.02 . 1 . . . . . 45 LEU H . 50513 1 333 . 1 . 1 67 67 LEU HA H 1 5.69 0.02 . 1 . . . . . 45 LEU HA . 50513 1 334 . 1 . 1 67 67 LEU HB2 H 1 1.80 0.02 . 2 . . . . . 45 LEU HB2 . 50513 1 335 . 1 . 1 67 67 LEU HB3 H 1 1.50 0.02 . 2 . . . . . 45 LEU HB3 . 50513 1 336 . 1 . 1 67 67 LEU C C 13 177.2 0.2 . 1 . . . . . 45 LEU C . 50513 1 337 . 1 . 1 67 67 LEU CA C 13 50.9 0.2 . 1 . . . . . 45 LEU CA . 50513 1 338 . 1 . 1 67 67 LEU CB C 13 44.1 0.2 . 1 . . . . . 45 LEU CB . 50513 1 339 . 1 . 1 67 67 LEU CD1 C 13 22.6 0.2 . 2 . . . . . 45 LEU CD1 . 50513 1 340 . 1 . 1 67 67 LEU CD2 C 13 22.6 0.02 . 2 . . . . . 45 LEU CD2 . 50513 1 341 . 1 . 1 67 67 LEU N N 15 122.1 0.2 . 1 . . . . . 45 LEU N . 50513 1 342 . 1 . 1 68 68 SER H H 1 9.39 0.02 . 1 . . . . . 46 SER H . 50513 1 343 . 1 . 1 68 68 SER HA H 1 5.04 0.02 . 1 . . . . . 46 SER HA . 50513 1 344 . 1 . 1 68 68 SER C C 13 172.9 0.2 . 1 . . . . . 46 SER C . 50513 1 345 . 1 . 1 68 68 SER CA C 13 54.5 0.2 . 1 . . . . . 46 SER CA . 50513 1 346 . 1 . 1 68 68 SER CB C 13 63.6 0.2 . 1 . . . . . 46 SER CB . 50513 1 347 . 1 . 1 68 68 SER N N 15 117.5 0.2 . 1 . . . . . 46 SER N . 50513 1 348 . 1 . 1 69 69 ASP H H 1 8.89 0.02 . 1 . . . . . 47 ASP H . 50513 1 349 . 1 . 1 69 69 ASP HA H 1 4.99 0.02 . 1 . . . . . 47 ASP HA . 50513 1 350 . 1 . 1 69 69 ASP HB2 H 1 2.95 0.02 . 2 . . . . . 47 ASP HB2 . 50513 1 351 . 1 . 1 69 69 ASP HB3 H 1 2.69 0.02 . 2 . . . . . 47 ASP HB3 . 50513 1 352 . 1 . 1 69 69 ASP C C 13 176.6 0.2 . 1 . . . . . 47 ASP C . 50513 1 353 . 1 . 1 69 69 ASP CA C 13 53.5 0.2 . 1 . . . . . 47 ASP CA . 50513 1 354 . 1 . 1 69 69 ASP CB C 13 38.7 0.2 . 1 . . . . . 47 ASP CB . 50513 1 355 . 1 . 1 69 69 ASP N N 15 123.8 0.2 . 1 . . . . . 47 ASP N . 50513 1 356 . 1 . 1 70 70 LEU H H 1 8.45 0.02 . 1 . . . . . 48 LEU H . 50513 1 357 . 1 . 1 70 70 LEU C C 13 178.2 0.2 . 1 . . . . . 48 LEU C . 50513 1 358 . 1 . 1 70 70 LEU CA C 13 52.4 0.2 . 1 . . . . . 48 LEU CA . 50513 1 359 . 1 . 1 70 70 LEU CB C 13 39.8 0.2 . 1 . . . . . 48 LEU CB . 50513 1 360 . 1 . 1 70 70 LEU N N 15 119.4 0.2 . 1 . . . . . 48 LEU N . 50513 1 361 . 1 . 1 71 71 GLN H H 1 8.48 0.02 . 1 . . . . . 49 GLN H . 50513 1 362 . 1 . 1 71 71 GLN HA H 1 3.33 0.02 . 1 . . . . . 49 GLN HA . 50513 1 363 . 1 . 1 71 71 GLN C C 13 174.8 0.2 . 1 . . . . . 49 GLN C . 50513 1 364 . 1 . 1 71 71 GLN CA C 13 53.5 0.2 . 1 . . . . . 49 GLN CA . 50513 1 365 . 1 . 1 71 71 GLN CB C 13 27.8 0.2 . 1 . . . . . 49 GLN CB . 50513 1 366 . 1 . 1 71 71 GLN CG C 13 30.6 0.2 . 1 . . . . . 49 GLN CG . 50513 1 367 . 1 . 1 71 71 GLN N N 15 119.5 0.2 . 1 . . . . . 49 GLN N . 50513 1 368 . 1 . 1 72 72 ASP H H 1 7.95 0.02 . 1 . . . . . 50 ASP H . 50513 1 369 . 1 . 1 72 72 ASP HA H 1 4.57 0.02 . 1 . . . . . 50 ASP HA . 50513 1 370 . 1 . 1 72 72 ASP HB2 H 1 2.86 0.02 . 2 . . . . . 50 ASP HB2 . 50513 1 371 . 1 . 1 72 72 ASP HB3 H 1 2.49 0.02 . 2 . . . . . 50 ASP HB3 . 50513 1 372 . 1 . 1 72 72 ASP C C 13 175.8 0.2 . 1 . . . . . 50 ASP C . 50513 1 373 . 1 . 1 72 72 ASP CA C 13 50.9 0.2 . 1 . . . . . 50 ASP CA . 50513 1 374 . 1 . 1 72 72 ASP CB C 13 37.5 0.2 . 1 . . . . . 50 ASP CB . 50513 1 375 . 1 . 1 72 72 ASP N N 15 116.5 0.2 . 1 . . . . . 50 ASP N . 50513 1 376 . 1 . 1 73 73 LEU H H 1 7.64 0.2 . 1 . . . . . 51 LEU H . 50513 1 377 . 1 . 1 73 73 LEU HA H 1 3.57 0.02 . 1 . . . . . 51 LEU HA . 50513 1 378 . 1 . 1 73 73 LEU C C 13 176.0 0.2 . 1 . . . . . 51 LEU C . 50513 1 379 . 1 . 1 73 73 LEU CA C 13 53.4 0.2 . 1 . . . . . 51 LEU CA . 50513 1 380 . 1 . 1 73 73 LEU CB C 13 38.0 0.2 . 1 . . . . . 51 LEU CB . 50513 1 381 . 1 . 1 73 73 LEU N N 15 116.9 0.2 . 1 . . . . . 51 LEU N . 50513 1 382 . 1 . 1 74 74 LYS H H 1 7.97 0.02 . 1 . . . . . 52 LYS H . 50513 1 383 . 1 . 1 74 74 LYS HA H 1 4.34 0.02 . 1 . . . . . 52 LYS HA . 50513 1 384 . 1 . 1 74 74 LYS C C 13 174.0 0.2 . 1 . . . . . 52 LYS C . 50513 1 385 . 1 . 1 74 74 LYS N N 15 117.8 0.2 . 1 . . . . . 52 LYS N . 50513 1 386 . 1 . 1 75 75 TRP H H 1 7.96 0.02 . 1 . . . . . 53 TRP H . 50513 1 387 . 1 . 1 75 75 TRP HA H 1 5.21 0.02 . 1 . . . . . 53 TRP HA . 50513 1 388 . 1 . 1 75 75 TRP HB2 H 1 2.99 0.02 . 2 . . . . . 53 TRP HB2 . 50513 1 389 . 1 . 1 75 75 TRP HB3 H 1 2.26 0.02 . 2 . . . . . 53 TRP HB3 . 50513 1 390 . 1 . 1 75 75 TRP HD1 H 1 6.61 0.02 . 1 . . . . . 53 TRP HD1 . 50513 1 391 . 1 . 1 75 75 TRP HE1 H 1 10.13 0.02 . 1 . . . . . 53 TRP HE1 . 50513 1 392 . 1 . 1 75 75 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . 53 TRP HZ2 . 50513 1 393 . 1 . 1 75 75 TRP C C 13 173.9 0.2 . 1 . . . . . 53 TRP C . 50513 1 394 . 1 . 1 75 75 TRP CA C 13 52.9 0.2 . 1 . . . . . 53 TRP CA . 50513 1 395 . 1 . 1 75 75 TRP CB C 13 32.4 0.2 . 1 . . . . . 53 TRP CB . 50513 1 396 . 1 . 1 75 75 TRP CD1 C 13 126.0 0.2 . 1 . . . . . 53 TRP CD1 . 50513 1 397 . 1 . 1 75 75 TRP CZ2 C 13 115.2 0.2 . 1 . . . . . 53 TRP CZ2 . 50513 1 398 . 1 . 1 75 75 TRP N N 15 117.2 0.2 . 1 . . . . . 53 TRP N . 50513 1 399 . 1 . 1 75 75 TRP NE1 N 15 128.1 0.2 . 1 . . . . . 53 TRP NE1 . 50513 1 400 . 1 . 1 76 76 ALA H H 1 8.99 0.02 . 1 . . . . . 54 ALA H . 50513 1 401 . 1 . 1 76 76 ALA HA H 1 5.11 0.02 . 1 . . . . . 54 ALA HA . 50513 1 402 . 1 . 1 76 76 ALA HB1 H 1 1.22 0.02 . 1 . . . . . 54 ALA MB . 50513 1 403 . 1 . 1 76 76 ALA HB2 H 1 1.22 0.02 . 1 . . . . . 54 ALA MB . 50513 1 404 . 1 . 1 76 76 ALA HB3 H 1 1.22 0.02 . 1 . . . . . 54 ALA MB . 50513 1 405 . 1 . 1 76 76 ALA C C 13 174.6 0.2 . 1 . . . . . 54 ALA C . 50513 1 406 . 1 . 1 76 76 ALA CA C 13 48.3 0.2 . 1 . . . . . 54 ALA CA . 50513 1 407 . 1 . 1 76 76 ALA CB C 13 21.5 0.2 . 1 . . . . . 54 ALA CB . 50513 1 408 . 1 . 1 76 76 ALA N N 15 120.5 0.2 . 1 . . . . . 54 ALA N . 50513 1 409 . 1 . 1 77 77 ARG H H 1 8.23 0.02 . 1 . . . . . 55 ARG H . 50513 1 410 . 1 . 1 77 77 ARG HA H 1 4.91 0.02 . 1 . . . . . 55 ARG HA . 50513 1 411 . 1 . 1 77 77 ARG HB2 H 1 1.50 0.02 . 2 . . . . . 55 ARG HB2 . 50513 1 412 . 1 . 1 77 77 ARG HB3 H 1 1.50 0.02 . 2 . . . . . 55 ARG HB3 . 50513 1 413 . 1 . 1 77 77 ARG HD2 H 1 2.97 0.02 . 2 . . . . . 55 ARG HD2 . 50513 1 414 . 1 . 1 77 77 ARG HD3 H 1 2.88 0.02 . 2 . . . . . 55 ARG HD3 . 50513 1 415 . 1 . 1 77 77 ARG C C 13 174.1 0.2 . 1 . . . . . 55 ARG C . 50513 1 416 . 1 . 1 77 77 ARG CA C 13 51.4 0.2 . 1 . . . . . 55 ARG CA . 50513 1 417 . 1 . 1 77 77 ARG CB C 13 31.0 0.2 . 1 . . . . . 55 ARG CB . 50513 1 418 . 1 . 1 77 77 ARG CG C 13 23.6 0.2 . 1 . . . . . 55 ARG CG . 50513 1 419 . 1 . 1 77 77 ARG CD C 13 41.0 0.2 . 1 . . . . . 55 ARG CD . 50513 1 420 . 1 . 1 77 77 ARG N N 15 120.8 0.2 . 1 . . . . . 55 ARG N . 50513 1 421 . 1 . 1 78 78 PHE H H 1 8.64 0.02 . 1 . . . . . 56 PHE H . 50513 1 422 . 1 . 1 78 78 PHE HA H 1 5.02 0.02 . 1 . . . . . 56 PHE HA . 50513 1 423 . 1 . 1 78 78 PHE HB2 H 1 3.08 0.02 . 2 . . . . . 56 PHE HB2 . 50513 1 424 . 1 . 1 78 78 PHE HB3 H 1 2.62 0.02 . 2 . . . . . 56 PHE HB3 . 50513 1 425 . 1 . 1 78 78 PHE C C 13 172.7 0.2 . 1 . . . . . 56 PHE C . 50513 1 426 . 1 . 1 78 78 PHE CA C 13 52.1 0.2 . 1 . . . . . 56 PHE CA . 50513 1 427 . 1 . 1 78 78 PHE CB C 13 38.4 0.2 . 1 . . . . . 56 PHE CB . 50513 1 428 . 1 . 1 78 78 PHE N N 15 122.5 0.2 . 1 . . . . . 56 PHE N . 50513 1 429 . 1 . 1 80 80 LYS H H 1 8.29 0.02 . 1 . . . . . 58 LYS H . 50513 1 430 . 1 . 1 80 80 LYS HA H 1 4.25 0.02 . 1 . . . . . 58 LYS HA . 50513 1 431 . 1 . 1 80 80 LYS N N 15 121.5 0.2 . 1 . . . . . 58 LYS N . 50513 1 432 . 1 . 1 81 81 SER C C 13 174.6 0.2 . 1 . . . . . 59 SER C . 50513 1 433 . 1 . 1 81 81 SER CA C 13 58.3 0.2 . 1 . . . . . 59 SER CA . 50513 1 434 . 1 . 1 81 81 SER CB C 13 60.5 0.2 . 1 . . . . . 59 SER CB . 50513 1 435 . 1 . 1 82 82 ASP H H 1 7.71 0.02 . 1 . . . . . 60 ASP H . 50513 1 436 . 1 . 1 82 82 ASP HA H 1 4.58 0.02 . 1 . . . . . 60 ASP HA . 50513 1 437 . 1 . 1 82 82 ASP HB2 H 1 3.00 0.02 . 2 . . . . . 60 ASP HB2 . 50513 1 438 . 1 . 1 82 82 ASP HB3 H 1 2.59 0.02 . 2 . . . . . 60 ASP HB3 . 50513 1 439 . 1 . 1 82 82 ASP C C 13 177.2 0.2 . 1 . . . . . 60 ASP C . 50513 1 440 . 1 . 1 82 82 ASP CA C 13 50.8 0.2 . 1 . . . . . 60 ASP CA . 50513 1 441 . 1 . 1 82 82 ASP CB C 13 38.1 0.2 . 1 . . . . . 60 ASP CB . 50513 1 442 . 1 . 1 82 82 ASP N N 15 118.0 0.2 . 1 . . . . . 60 ASP N . 50513 1 443 . 1 . 1 83 83 GLY H H 1 7.94 0.02 . 1 . . . . . 61 GLY H . 50513 1 444 . 1 . 1 83 83 GLY HA2 H 1 4.14 0.02 . 2 . . . . . 61 GLY HA2 . 50513 1 445 . 1 . 1 83 83 GLY HA3 H 1 3.90 0.02 . 2 . . . . . 61 GLY HA3 . 50513 1 446 . 1 . 1 83 83 GLY C C 13 175.7 0.2 . 1 . . . . . 61 GLY C . 50513 1 447 . 1 . 1 83 83 GLY CA C 13 43.4 0.2 . 1 . . . . . 61 GLY CA . 50513 1 448 . 1 . 1 83 83 GLY N N 15 106.3 0.2 . 1 . . . . . 61 GLY N . 50513 1 449 . 1 . 1 84 84 THR H H 1 7.96 0.02 . 1 . . . . . 62 THR H . 50513 1 450 . 1 . 1 84 84 THR HA H 1 4.42 0.02 . 1 . . . . . 62 THR HA . 50513 1 451 . 1 . 1 84 84 THR HG21 H 1 1.08 0.2 . 1 . . . . . 62 THR MG . 50513 1 452 . 1 . 1 84 84 THR HG22 H 1 1.08 0.2 . 1 . . . . . 62 THR MG . 50513 1 453 . 1 . 1 84 84 THR HG23 H 1 1.08 0.2 . 1 . . . . . 62 THR MG . 50513 1 454 . 1 . 1 84 84 THR C C 13 174.8 0.2 . 1 . . . . . 62 THR C . 50513 1 455 . 1 . 1 84 84 THR CA C 13 59.8 0.2 . 1 . . . . . 62 THR CA . 50513 1 456 . 1 . 1 84 84 THR CB C 13 67.8 0.2 . 1 . . . . . 62 THR CB . 50513 1 457 . 1 . 1 84 84 THR CG2 C 13 18.1 0.2 . 1 . . . . . 62 THR CG2 . 50513 1 458 . 1 . 1 84 84 THR N N 15 110.1 0.2 . 1 . . . . . 62 THR N . 50513 1 459 . 1 . 1 85 85 GLY H H 1 7.82 0.02 . 1 . . . . . 63 GLY H . 50513 1 460 . 1 . 1 85 85 GLY HA2 H 1 4.32 0.02 . 2 . . . . . 63 GLY HA2 . 50513 1 461 . 1 . 1 85 85 GLY HA3 H 1 4.00 0.02 . 2 . . . . . 63 GLY HA3 . 50513 1 462 . 1 . 1 85 85 GLY C C 13 173.0 0.2 . 1 . . . . . 63 GLY C . 50513 1 463 . 1 . 1 85 85 GLY CA C 13 42.5 0.2 . 1 . . . . . 63 GLY CA . 50513 1 464 . 1 . 1 85 85 GLY N N 15 107.9 0.2 . 1 . . . . . 63 GLY N . 50513 1 465 . 1 . 1 86 86 THR H H 1 8.45 0.02 . 1 . . . . . 64 THR H . 50513 1 466 . 1 . 1 86 86 THR C C 13 172.9 0.2 . 1 . . . . . 64 THR C . 50513 1 467 . 1 . 1 86 86 THR CA C 13 59.1 0.2 . 1 . . . . . 64 THR CA . 50513 1 468 . 1 . 1 86 86 THR CB C 13 69.4 0.2 . 1 . . . . . 64 THR CB . 50513 1 469 . 1 . 1 86 86 THR CG2 C 13 19.2 0.2 . 1 . . . . . 64 THR CG2 . 50513 1 470 . 1 . 1 86 86 THR N N 15 115.1 0.2 . 1 . . . . . 64 THR N . 50513 1 471 . 1 . 1 87 87 ILE H H 1 8.84 0.02 . 1 . . . . . 65 ILE H . 50513 1 472 . 1 . 1 87 87 ILE HA H 1 4.40 0.02 . 1 . . . . . 65 ILE HA . 50513 1 473 . 1 . 1 87 87 ILE HB H 1 1.70 0.02 . 1 . . . . . 65 ILE HB . 50513 1 474 . 1 . 1 87 87 ILE HG12 H 1 1.39 0.02 . 2 . . . . . 65 ILE HG12 . 50513 1 475 . 1 . 1 87 87 ILE HG13 H 1 1.04 0.02 . 2 . . . . . 65 ILE HG13 . 50513 1 476 . 1 . 1 87 87 ILE HG21 H 1 0.84 0.02 . 1 . . . . . 65 ILE MG . 50513 1 477 . 1 . 1 87 87 ILE HG22 H 1 0.84 0.02 . 1 . . . . . 65 ILE MG . 50513 1 478 . 1 . 1 87 87 ILE HG23 H 1 0.84 0.02 . 1 . . . . . 65 ILE MG . 50513 1 479 . 1 . 1 87 87 ILE HD11 H 1 0.85 0.02 . 1 . . . . . 65 ILE MD . 50513 1 480 . 1 . 1 87 87 ILE HD12 H 1 0.85 0.02 . 1 . . . . . 65 ILE MD . 50513 1 481 . 1 . 1 87 87 ILE HD13 H 1 0.85 0.02 . 1 . . . . . 65 ILE MD . 50513 1 482 . 1 . 1 87 87 ILE C C 13 174.0 0.2 . 1 . . . . . 65 ILE C . 50513 1 483 . 1 . 1 87 87 ILE CA C 13 57.3 0.2 . 1 . . . . . 65 ILE CA . 50513 1 484 . 1 . 1 87 87 ILE CB C 13 38.4 0.2 . 1 . . . . . 65 ILE CB . 50513 1 485 . 1 . 1 87 87 ILE CG1 C 13 24.3 0.2 . 1 . . . . . 65 ILE CG1 . 50513 1 486 . 1 . 1 87 87 ILE CG2 C 13 15.2 0.2 . 1 . . . . . 65 ILE CG2 . 50513 1 487 . 1 . 1 87 87 ILE CD1 C 13 10.8 0.2 . 1 . . . . . 65 ILE CD1 . 50513 1 488 . 1 . 1 87 87 ILE N N 15 122.6 0.2 . 1 . . . . . 65 ILE N . 50513 1 489 . 1 . 1 88 88 TYR H H 1 8.42 0.02 . 1 . . . . . 66 TYR H . 50513 1 490 . 1 . 1 88 88 TYR HA H 1 5.67 0.02 . 1 . . . . . 66 TYR HA . 50513 1 491 . 1 . 1 88 88 TYR HB2 H 1 3.03 0.02 . 2 . . . . . 66 TYR HB2 . 50513 1 492 . 1 . 1 88 88 TYR HB3 H 1 2.77 0.02 . 2 . . . . . 66 TYR HB3 . 50513 1 493 . 1 . 1 88 88 TYR C C 13 176.7 0.2 . 1 . . . . . 66 TYR C . 50513 1 494 . 1 . 1 88 88 TYR CA C 13 54.4 0.2 . 1 . . . . . 66 TYR CA . 50513 1 495 . 1 . 1 88 88 TYR CB C 13 38.8 0.2 . 1 . . . . . 66 TYR CB . 50513 1 496 . 1 . 1 88 88 TYR N N 15 121.2 0.2 . 1 . . . . . 66 TYR N . 50513 1 497 . 1 . 1 89 89 THR H H 1 9.41 0.02 . 1 . . . . . 67 THR H . 50513 1 498 . 1 . 1 89 89 THR HA H 1 4.84 0.02 . 1 . . . . . 67 THR HA . 50513 1 499 . 1 . 1 89 89 THR HB H 1 3.90 0.02 . 1 . . . . . 67 THR HB . 50513 1 500 . 1 . 1 89 89 THR C C 13 172.3 0.2 . 1 . . . . . 67 THR C . 50513 1 501 . 1 . 1 89 89 THR CA C 13 58.4 0.2 . 1 . . . . . 67 THR CA . 50513 1 502 . 1 . 1 89 89 THR CB C 13 69.0 0.2 . 1 . . . . . 67 THR CB . 50513 1 503 . 1 . 1 89 89 THR CG2 C 13 19.1 0.2 . 1 . . . . . 67 THR CG2 . 50513 1 504 . 1 . 1 89 89 THR N N 15 117.5 0.2 . 1 . . . . . 67 THR N . 50513 1 505 . 1 . 1 90 90 GLU H H 1 8.82 0.02 . 1 . . . . . 68 GLU H . 50513 1 506 . 1 . 1 90 90 GLU HA H 1 3.63 0.02 . 1 . . . . . 68 GLU HA . 50513 1 507 . 1 . 1 90 90 GLU HB2 H 1 1.47 0.02 . 2 . . . . . 68 GLU HB2 . 50513 1 508 . 1 . 1 90 90 GLU HB3 H 1 1.47 0.02 . 2 . . . . . 68 GLU HB3 . 50513 1 509 . 1 . 1 90 90 GLU HG2 H 1 1.43 0.02 . 2 . . . . . 68 GLU HG2 . 50513 1 510 . 1 . 1 90 90 GLU HG3 H 1 1.21 0.02 . 2 . . . . . 68 GLU HG3 . 50513 1 511 . 1 . 1 90 90 GLU C C 13 175.2 0.2 . 1 . . . . . 68 GLU C . 50513 1 512 . 1 . 1 90 90 GLU CA C 13 53.6 0.2 . 1 . . . . . 68 GLU CA . 50513 1 513 . 1 . 1 90 90 GLU CB C 13 28.0 0.2 . 1 . . . . . 68 GLU CB . 50513 1 514 . 1 . 1 90 90 GLU CG C 13 33.9 0.3 . 1 . . . . . 68 GLU CG . 50513 1 515 . 1 . 1 90 90 GLU N N 15 129.1 0.2 . 1 . . . . . 68 GLU N . 50513 1 516 . 1 . 1 91 91 LEU H H 1 7.32 0.02 . 1 . . . . . 69 LEU H . 50513 1 517 . 1 . 1 91 91 LEU C C 13 177.5 0.2 . 1 . . . . . 69 LEU C . 50513 1 518 . 1 . 1 91 91 LEU CA C 13 50.6 0.2 . 1 . . . . . 69 LEU CA . 50513 1 519 . 1 . 1 91 91 LEU CB C 13 40.7 0.2 . 1 . . . . . 69 LEU CB . 50513 1 520 . 1 . 1 91 91 LEU N N 15 121.4 0.2 . 1 . . . . . 69 LEU N . 50513 1 521 . 1 . 1 92 92 GLU H H 1 8.55 0.02 . 1 . . . . . 70 GLU H . 50513 1 522 . 1 . 1 92 92 GLU HA H 1 4.51 0.02 . 1 . . . . . 70 GLU HA . 50513 1 523 . 1 . 1 92 92 GLU C C 13 174.0 0.2 . 1 . . . . . 70 GLU C . 50513 1 524 . 1 . 1 92 92 GLU CA C 13 52.9 0.2 . 1 . . . . . 70 GLU CA . 50513 1 525 . 1 . 1 92 92 GLU CB C 13 26.0 0.2 . 1 . . . . . 70 GLU CB . 50513 1 526 . 1 . 1 92 92 GLU N N 15 120.5 0.2 . 1 . . . . . 70 GLU N . 50513 1 527 . 1 . 1 94 94 PRO C C 13 177.8 0.2 . 1 . . . . . 72 PRO C . 50513 1 528 . 1 . 1 94 94 PRO CA C 13 59.9 0.2 . 1 . . . . . 72 PRO CA . 50513 1 529 . 1 . 1 94 94 PRO CB C 13 29.2 0.2 . 1 . . . . . 72 PRO CB . 50513 1 530 . 1 . 1 95 95 CYS H H 1 8.70 0.02 . 1 . . . . . 73 CYS H . 50513 1 531 . 1 . 1 95 95 CYS HB2 H 1 2.81 0.02 . 2 . . . . . 73 CYS HB2 . 50513 1 532 . 1 . 1 95 95 CYS HB3 H 1 2.81 0.02 . 2 . . . . . 73 CYS HB3 . 50513 1 533 . 1 . 1 95 95 CYS C C 13 173.6 0.2 . 1 . . . . . 73 CYS C . 50513 1 534 . 1 . 1 95 95 CYS CA C 13 54.1 0.2 . 1 . . . . . 73 CYS CA . 50513 1 535 . 1 . 1 95 95 CYS CB C 13 27.2 0.2 . 1 . . . . . 73 CYS CB . 50513 1 536 . 1 . 1 95 95 CYS N N 15 117.1 0.2 . 1 . . . . . 73 CYS N . 50513 1 537 . 1 . 1 96 96 ARG H H 1 8.60 0.02 . 1 . . . . . 74 ARG H . 50513 1 538 . 1 . 1 96 96 ARG HA H 1 4.48 0.02 . 1 . . . . . 74 ARG HA . 50513 1 539 . 1 . 1 96 96 ARG C C 13 175.0 0.2 . 1 . . . . . 74 ARG C . 50513 1 540 . 1 . 1 96 96 ARG CA C 13 53.6 0.2 . 1 . . . . . 74 ARG CA . 50513 1 541 . 1 . 1 96 96 ARG CB C 13 29.3 0.2 . 1 . . . . . 74 ARG CB . 50513 1 542 . 1 . 1 96 96 ARG N N 15 125.1 0.2 . 1 . . . . . 74 ARG N . 50513 1 543 . 1 . 1 97 97 PHE H H 1 8.81 0.02 . 1 . . . . . 75 PHE H . 50513 1 544 . 1 . 1 97 97 PHE HA H 1 4.87 0.02 . 1 . . . . . 75 PHE HA . 50513 1 545 . 1 . 1 97 97 PHE C C 13 172.7 0.2 . 1 . . . . . 75 PHE C . 50513 1 546 . 1 . 1 97 97 PHE CA C 13 53.9 0.2 . 1 . . . . . 75 PHE CA . 50513 1 547 . 1 . 1 97 97 PHE N N 15 124.6 0.2 . 1 . . . . . 75 PHE N . 50513 1 548 . 1 . 1 98 98 VAL H H 1 8.45 0.02 . 1 . . . . . 76 VAL H . 50513 1 549 . 1 . 1 98 98 VAL HA H 1 4.47 0.02 . 1 . . . . . 76 VAL HA . 50513 1 550 . 1 . 1 98 98 VAL HB H 1 1.82 0.02 . 1 . . . . . 76 VAL HB . 50513 1 551 . 1 . 1 98 98 VAL HG11 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG1 . 50513 1 552 . 1 . 1 98 98 VAL HG12 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG1 . 50513 1 553 . 1 . 1 98 98 VAL HG13 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG1 . 50513 1 554 . 1 . 1 98 98 VAL HG21 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG2 . 50513 1 555 . 1 . 1 98 98 VAL HG22 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG2 . 50513 1 556 . 1 . 1 98 98 VAL HG23 H 1 0.78 0.02 . 2 . . . . . 76 VAL MG2 . 50513 1 557 . 1 . 1 98 98 VAL C C 13 175.4 0.2 . 1 . . . . . 76 VAL C . 50513 1 558 . 1 . 1 98 98 VAL CA C 13 58.9 0.2 . 1 . . . . . 76 VAL CA . 50513 1 559 . 1 . 1 98 98 VAL CB C 13 30.5 0.2 . 1 . . . . . 76 VAL CB . 50513 1 560 . 1 . 1 98 98 VAL CG1 C 13 18.8 0.2 . 2 . . . . . 76 VAL CG1 . 50513 1 561 . 1 . 1 98 98 VAL CG2 C 13 18.8 0.2 . 2 . . . . . 76 VAL CG2 . 50513 1 562 . 1 . 1 98 98 VAL N N 15 122.5 0.2 . 1 . . . . . 76 VAL N . 50513 1 563 . 1 . 1 99 99 THR H H 1 8.55 0.02 . 1 . . . . . 77 THR H . 50513 1 564 . 1 . 1 99 99 THR C C 13 172.9 0.2 . 1 . . . . . 77 THR C . 50513 1 565 . 1 . 1 99 99 THR CA C 13 57.0 0.2 . 1 . . . . . 77 THR CA . 50513 1 566 . 1 . 1 99 99 THR CB C 13 68.9 0.2 . 1 . . . . . 77 THR CB . 50513 1 567 . 1 . 1 99 99 THR CG2 C 13 18.2 0.2 . 1 . . . . . 77 THR CG2 . 50513 1 568 . 1 . 1 99 99 THR N N 15 119.0 0.2 . 1 . . . . . 77 THR N . 50513 1 569 . 1 . 1 100 100 ASP H H 1 8.48 0.02 . 1 . . . . . 78 ASP H . 50513 1 570 . 1 . 1 100 100 ASP HB2 H 1 2.56 0.02 . 2 . . . . . 78 ASP HB2 . 50513 1 571 . 1 . 1 100 100 ASP HB3 H 1 2.45 0.02 . 2 . . . . . 78 ASP HB3 . 50513 1 572 . 1 . 1 100 100 ASP C C 13 175.7 0.2 . 1 . . . . . 78 ASP C . 50513 1 573 . 1 . 1 100 100 ASP CA C 13 52.4 0.2 . 1 . . . . . 78 ASP CA . 50513 1 574 . 1 . 1 100 100 ASP CB C 13 39.7 0.2 . 1 . . . . . 78 ASP CB . 50513 1 575 . 1 . 1 100 100 ASP N N 15 123.8 0.2 . 1 . . . . . 78 ASP N . 50513 1 576 . 1 . 1 101 101 THR H H 1 7.52 0.02 . 1 . . . . . 79 THR H . 50513 1 577 . 1 . 1 101 101 THR HA H 1 5.10 0.02 . 1 . . . . . 79 THR HA . 50513 1 578 . 1 . 1 101 101 THR HG21 H 1 1.18 0.02 . 1 . . . . . 79 THR MG . 50513 1 579 . 1 . 1 101 101 THR HG22 H 1 1.18 0.02 . 1 . . . . . 79 THR MG . 50513 1 580 . 1 . 1 101 101 THR HG23 H 1 1.18 0.02 . 1 . . . . . 79 THR MG . 50513 1 581 . 1 . 1 101 101 THR C C 13 174.6 0.2 . 1 . . . . . 79 THR C . 50513 1 582 . 1 . 1 101 101 THR CA C 13 57.5 0.2 . 1 . . . . . 79 THR CA . 50513 1 583 . 1 . 1 101 101 THR CB C 13 68.0 0.2 . 1 . . . . . 79 THR CB . 50513 1 584 . 1 . 1 101 101 THR N N 15 114.2 0.2 . 1 . . . . . 79 THR N . 50513 1 585 . 1 . 1 102 102 PRO C C 13 177.2 0.2 . 1 . . . . . 80 PRO C . 50513 1 586 . 1 . 1 102 102 PRO CA C 13 62.1 0.2 . 1 . . . . . 80 PRO CA . 50513 1 587 . 1 . 1 103 103 LYS H H 1 7.62 0.02 . 1 . . . . . 81 LYS H . 50513 1 588 . 1 . 1 103 103 LYS HA H 1 4.51 0.02 . 1 . . . . . 81 LYS HA . 50513 1 589 . 1 . 1 103 103 LYS C C 13 175.8 0.2 . 1 . . . . . 81 LYS C . 50513 1 590 . 1 . 1 103 103 LYS CA C 13 52.3 0.2 . 1 . . . . . 81 LYS CA . 50513 1 591 . 1 . 1 103 103 LYS CB C 13 29.7 0.2 . 1 . . . . . 81 LYS CB . 50513 1 592 . 1 . 1 103 103 LYS N N 15 113.9 0.2 . 1 . . . . . 81 LYS N . 50513 1 593 . 1 . 1 104 104 GLY H H 1 7.70 0.02 . 1 . . . . . 82 GLY H . 50513 1 594 . 1 . 1 104 104 GLY HA2 H 1 4.66 0.02 . 2 . . . . . 82 GLY HA2 . 50513 1 595 . 1 . 1 104 104 GLY HA3 H 1 3.93 0.02 . 2 . . . . . 82 GLY HA3 . 50513 1 596 . 1 . 1 104 104 GLY C C 13 172.1 0.2 . 1 . . . . . 82 GLY C . 50513 1 597 . 1 . 1 104 104 GLY CA C 13 41.4 0.2 . 1 . . . . . 82 GLY CA . 50513 1 598 . 1 . 1 104 104 GLY N N 15 109.2 0.2 . 1 . . . . . 82 GLY N . 50513 1 599 . 1 . 1 105 105 PRO C C 13 172.9 0.2 . 1 . . . . . 83 PRO C . 50513 1 600 . 1 . 1 105 105 PRO CA C 13 60.7 0.2 . 1 . . . . . 83 PRO CA . 50513 1 601 . 1 . 1 105 105 PRO CB C 13 29.2 0.2 . 1 . . . . . 83 PRO CB . 50513 1 602 . 1 . 1 106 106 LYS H H 1 8.90 0.02 . 1 . . . . . 84 LYS H . 50513 1 603 . 1 . 1 106 106 LYS HA H 1 4.99 0.02 . 1 . . . . . 84 LYS HA . 50513 1 604 . 1 . 1 106 106 LYS HB2 H 1 1.67 0.02 . 2 . . . . . 84 LYS HB2 . 50513 1 605 . 1 . 1 106 106 LYS HB3 H 1 1.53 0.02 . 2 . . . . . 84 LYS HB3 . 50513 1 606 . 1 . 1 106 106 LYS C C 13 175.0 0.2 . 1 . . . . . 84 LYS C . 50513 1 607 . 1 . 1 106 106 LYS CA C 13 52.1 0.2 . 1 . . . . . 84 LYS CA . 50513 1 608 . 1 . 1 106 106 LYS CB C 13 32.6 0.2 . 1 . . . . . 84 LYS CB . 50513 1 609 . 1 . 1 106 106 LYS CE C 13 39.3 0.2 . 1 . . . . . 84 LYS CE . 50513 1 610 . 1 . 1 106 106 LYS N N 15 123.4 0.2 . 1 . . . . . 84 LYS N . 50513 1 611 . 1 . 1 107 107 VAL H H 1 8.53 0.02 . 1 . . . . . 85 VAL H . 50513 1 612 . 1 . 1 107 107 VAL HA H 1 4.15 0.02 . 1 . . . . . 85 VAL HA . 50513 1 613 . 1 . 1 107 107 VAL HB H 1 1.83 0.02 . 1 . . . . . 85 VAL HB . 50513 1 614 . 1 . 1 107 107 VAL HG11 H 1 0.82 0.02 . 2 . . . . . 85 VAL MG1 . 50513 1 615 . 1 . 1 107 107 VAL HG12 H 1 0.82 0.02 . 2 . . . . . 85 VAL MG1 . 50513 1 616 . 1 . 1 107 107 VAL HG13 H 1 0.82 0.02 . 2 . . . . . 85 VAL MG1 . 50513 1 617 . 1 . 1 107 107 VAL HG21 H 1 0.49 0.02 . 2 . . . . . 85 VAL MG2 . 50513 1 618 . 1 . 1 107 107 VAL HG22 H 1 0.49 0.02 . 2 . . . . . 85 VAL MG2 . 50513 1 619 . 1 . 1 107 107 VAL HG23 H 1 0.49 0.02 . 2 . . . . . 85 VAL MG2 . 50513 1 620 . 1 . 1 107 107 VAL C C 13 175.0 0.2 . 1 . . . . . 85 VAL C . 50513 1 621 . 1 . 1 107 107 VAL CA C 13 60.2 0.2 . 1 . . . . . 85 VAL CA . 50513 1 622 . 1 . 1 107 107 VAL CB C 13 29.4 0.2 . 1 . . . . . 85 VAL CB . 50513 1 623 . 1 . 1 107 107 VAL CG1 C 13 18.5 0.2 . 2 . . . . . 85 VAL CG1 . 50513 1 624 . 1 . 1 107 107 VAL CG2 C 13 18.5 0.2 . 2 . . . . . 85 VAL CG2 . 50513 1 625 . 1 . 1 107 107 VAL N N 15 126.8 0.2 . 1 . . . . . 85 VAL N . 50513 1 626 . 1 . 1 108 108 LYS H H 1 8.53 0.02 . 1 . . . . . 86 LYS H . 50513 1 627 . 1 . 1 108 108 LYS HA H 1 4.46 0.02 . 1 . . . . . 86 LYS HA . 50513 1 628 . 1 . 1 108 108 LYS CA C 13 50.6 0.2 . 1 . . . . . 86 LYS CA . 50513 1 629 . 1 . 1 108 108 LYS N N 15 128.8 0.2 . 1 . . . . . 86 LYS N . 50513 1 630 . 1 . 1 109 109 TYR H H 1 8.56 0.02 . 1 . . . . . 87 TYR H . 50513 1 631 . 1 . 1 109 109 TYR HD1 H 1 6.65 0.02 . 3 . . . . . 87 TYR HD1 . 50513 1 632 . 1 . 1 109 109 TYR HD2 H 1 6.65 0.02 . 3 . . . . . 87 TYR HD2 . 50513 1 633 . 1 . 1 109 109 TYR C C 13 173.7 0.2 . 1 . . . . . 87 TYR C . 50513 1 634 . 1 . 1 109 109 TYR CA C 13 55.1 0.2 . 1 . . . . . 87 TYR CA . 50513 1 635 . 1 . 1 109 109 TYR CB C 13 38.1 0.2 . 1 . . . . . 87 TYR CB . 50513 1 636 . 1 . 1 109 109 TYR CD1 C 13 133.1 0.2 . 3 . . . . . 87 TYR CD1 . 50513 1 637 . 1 . 1 109 109 TYR CD2 C 13 133.1 0.2 . 3 . . . . . 87 TYR CD2 . 50513 1 638 . 1 . 1 109 109 TYR N N 15 116.6 0.2 . 1 . . . . . 87 TYR N . 50513 1 639 . 1 . 1 110 110 LEU H H 1 8.73 0.02 . 1 . . . . . 88 LEU H . 50513 1 640 . 1 . 1 110 110 LEU HA H 1 5.15 0.02 . 1 . . . . . 88 LEU HA . 50513 1 641 . 1 . 1 110 110 LEU C C 13 175.0 0.2 . 1 . . . . . 88 LEU C . 50513 1 642 . 1 . 1 110 110 LEU CA C 13 50.6 0.2 . 1 . . . . . 88 LEU CA . 50513 1 643 . 1 . 1 110 110 LEU CB C 13 37.9 0.2 . 1 . . . . . 88 LEU CB . 50513 1 644 . 1 . 1 110 110 LEU CG C 13 23.6 0.2 . 1 . . . . . 88 LEU CG . 50513 1 645 . 1 . 1 110 110 LEU CD1 C 13 20.8 0.2 . 2 . . . . . 88 LEU CD1 . 50513 1 646 . 1 . 1 110 110 LEU CD2 C 13 20.5 0.2 . 2 . . . . . 88 LEU CD2 . 50513 1 647 . 1 . 1 110 110 LEU N N 15 124.7 0.2 . 1 . . . . . 88 LEU N . 50513 1 648 . 1 . 1 111 111 TYR H H 1 9.86 0.02 . 1 . . . . . 89 TYR H . 50513 1 649 . 1 . 1 111 111 TYR HA H 1 4.66 0.02 . 1 . . . . . 89 TYR HA . 50513 1 650 . 1 . 1 111 111 TYR C C 13 175.9 0.2 . 1 . . . . . 89 TYR C . 50513 1 651 . 1 . 1 111 111 TYR CA C 13 52.9 0.2 . 1 . . . . . 89 TYR CA . 50513 1 652 . 1 . 1 111 111 TYR CB C 13 38.1 0.2 . 1 . . . . . 89 TYR CB . 50513 1 653 . 1 . 1 111 111 TYR N N 15 127.0 0.2 . 1 . . . . . 89 TYR N . 50513 1 654 . 1 . 1 112 112 PHE H H 1 8.87 0.02 . 1 . . . . . 90 PHE H . 50513 1 655 . 1 . 1 112 112 PHE HA H 1 4.89 0.02 . 1 . . . . . 90 PHE HA . 50513 1 656 . 1 . 1 112 112 PHE C C 13 175.6 0.2 . 1 . . . . . 90 PHE C . 50513 1 657 . 1 . 1 112 112 PHE CA C 13 56.3 0.2 . 1 . . . . . 90 PHE CA . 50513 1 658 . 1 . 1 112 112 PHE CB C 13 36.7 0.2 . 1 . . . . . 90 PHE CB . 50513 1 659 . 1 . 1 112 112 PHE N N 15 122.5 0.2 . 1 . . . . . 90 PHE N . 50513 1 660 . 1 . 1 113 113 ILE H H 1 7.44 0.02 . 1 . . . . . 91 ILE H . 50513 1 661 . 1 . 1 113 113 ILE HA H 1 4.18 0.02 . 1 . . . . . 91 ILE HA . 50513 1 662 . 1 . 1 113 113 ILE HB H 1 1.90 0.02 . 1 . . . . . 91 ILE HB . 50513 1 663 . 1 . 1 113 113 ILE HG12 H 1 1.37 0.02 . 2 . . . . . 91 ILE HG12 . 50513 1 664 . 1 . 1 113 113 ILE HG13 H 1 0.88 0.02 . 2 . . . . . 91 ILE HG13 . 50513 1 665 . 1 . 1 113 113 ILE HG21 H 1 0.87 0.02 . 1 . . . . . 91 ILE MG . 50513 1 666 . 1 . 1 113 113 ILE HG22 H 1 0.87 0.02 . 1 . . . . . 91 ILE MG . 50513 1 667 . 1 . 1 113 113 ILE HG23 H 1 0.87 0.02 . 1 . . . . . 91 ILE MG . 50513 1 668 . 1 . 1 113 113 ILE HD11 H 1 0.73 0.02 . 1 . . . . . 91 ILE MD . 50513 1 669 . 1 . 1 113 113 ILE HD12 H 1 0.73 0.02 . 1 . . . . . 91 ILE MD . 50513 1 670 . 1 . 1 113 113 ILE HD13 H 1 0.73 0.02 . 1 . . . . . 91 ILE MD . 50513 1 671 . 1 . 1 113 113 ILE C C 13 175.7 0.2 . 1 . . . . . 91 ILE C . 50513 1 672 . 1 . 1 113 113 ILE CA C 13 58.6 0.2 . 1 . . . . . 91 ILE CA . 50513 1 673 . 1 . 1 113 113 ILE CB C 13 35.0 0.2 . 1 . . . . . 91 ILE CB . 50513 1 674 . 1 . 1 113 113 ILE CG1 C 13 24.5 0.2 . 1 . . . . . 91 ILE CG1 . 50513 1 675 . 1 . 1 113 113 ILE CG2 C 13 16.0 0.2 . 1 . . . . . 91 ILE CG2 . 50513 1 676 . 1 . 1 113 113 ILE CD1 C 13 10.0 0.2 . 1 . . . . . 91 ILE CD1 . 50513 1 677 . 1 . 1 113 113 ILE N N 15 118.9 0.2 . 1 . . . . . 91 ILE N . 50513 1 678 . 1 . 1 114 114 LYS H H 1 8.03 0.02 . 1 . . . . . 92 LYS H . 50513 1 679 . 1 . 1 114 114 LYS C C 13 178.1 0.2 . 1 . . . . . 92 LYS C . 50513 1 680 . 1 . 1 114 114 LYS CA C 13 57.6 0.2 . 1 . . . . . 92 LYS CA . 50513 1 681 . 1 . 1 114 114 LYS N N 15 122.8 0.2 . 1 . . . . . 92 LYS N . 50513 1 682 . 1 . 1 115 115 GLY H H 1 9.09 0.02 . 1 . . . . . 93 GLY H . 50513 1 683 . 1 . 1 115 115 GLY HA2 H 1 4.14 0.02 . 2 . . . . . 93 GLY HA2 . 50513 1 684 . 1 . 1 115 115 GLY HA3 H 1 3.65 0.02 . 2 . . . . . 93 GLY HA3 . 50513 1 685 . 1 . 1 115 115 GLY C C 13 175.0 0.2 . 1 . . . . . 93 GLY C . 50513 1 686 . 1 . 1 115 115 GLY CA C 13 42.5 0.2 . 1 . . . . . 93 GLY CA . 50513 1 687 . 1 . 1 115 115 GLY N N 15 113.8 0.2 . 1 . . . . . 93 GLY N . 50513 1 688 . 1 . 1 116 116 LEU H H 1 7.67 0.02 . 1 . . . . . 94 LEU H . 50513 1 689 . 1 . 1 116 116 LEU C C 13 177.8 0.2 . 1 . . . . . 94 LEU C . 50513 1 690 . 1 . 1 116 116 LEU CA C 13 53.4 0.2 . 1 . . . . . 94 LEU CA . 50513 1 691 . 1 . 1 116 116 LEU CB C 13 39.4 0.2 . 1 . . . . . 94 LEU CB . 50513 1 692 . 1 . 1 116 116 LEU N N 15 122.1 0.2 . 1 . . . . . 94 LEU N . 50513 1 693 . 1 . 1 117 117 ASN H H 1 8.85 0.02 . 1 . . . . . 95 ASN H . 50513 1 694 . 1 . 1 117 117 ASN HA H 1 4.57 0.02 . 1 . . . . . 95 ASN HA . 50513 1 695 . 1 . 1 117 117 ASN C C 13 175.3 0.2 . 1 . . . . . 95 ASN C . 50513 1 696 . 1 . 1 117 117 ASN CA C 13 50.3 0.2 . 1 . . . . . 95 ASN CA . 50513 1 697 . 1 . 1 117 117 ASN CB C 13 35.5 0.2 . 1 . . . . . 95 ASN CB . 50513 1 698 . 1 . 1 117 117 ASN N N 15 125.2 0.2 . 1 . . . . . 95 ASN N . 50513 1 699 . 1 . 1 129 129 ALA H H 1 7.87 0.02 . 1 . . . . . 107 ALA H . 50513 1 700 . 1 . 1 129 129 ALA HA H 1 4.15 0.02 . 1 . . . . . 107 ALA HA . 50513 1 701 . 1 . 1 129 129 ALA HB1 H 1 1.43 0.02 . 1 . . . . . 107 ALA MB . 50513 1 702 . 1 . 1 129 129 ALA HB2 H 1 1.43 0.02 . 1 . . . . . 107 ALA MB . 50513 1 703 . 1 . 1 129 129 ALA HB3 H 1 1.43 0.02 . 1 . . . . . 107 ALA MB . 50513 1 704 . 1 . 1 129 129 ALA C C 13 178.2 0.2 . 1 . . . . . 107 ALA C . 50513 1 705 . 1 . 1 129 129 ALA CA C 13 51.6 0.2 . 1 . . . . . 107 ALA CA . 50513 1 706 . 1 . 1 129 129 ALA CB C 13 16.0 0.2 . 1 . . . . . 107 ALA CB . 50513 1 707 . 1 . 1 129 129 ALA N N 15 117.8 0.2 . 1 . . . . . 107 ALA N . 50513 1 708 . 1 . 1 130 130 ALA H H 1 7.59 0.02 . 1 . . . . . 108 ALA H . 50513 1 709 . 1 . 1 130 130 ALA HA H 1 4.35 0.02 . 1 . . . . . 108 ALA HA . 50513 1 710 . 1 . 1 130 130 ALA HB1 H 1 1.49 0.02 . 1 . . . . . 108 ALA MB . 50513 1 711 . 1 . 1 130 130 ALA HB2 H 1 1.49 0.02 . 1 . . . . . 108 ALA MB . 50513 1 712 . 1 . 1 130 130 ALA HB3 H 1 1.49 0.02 . 1 . . . . . 108 ALA MB . 50513 1 713 . 1 . 1 130 130 ALA C C 13 178.4 0.2 . 1 . . . . . 108 ALA C . 50513 1 714 . 1 . 1 130 130 ALA CA C 13 50.9 0.2 . 1 . . . . . 108 ALA CA . 50513 1 715 . 1 . 1 130 130 ALA CB C 13 16.8 0.2 . 1 . . . . . 108 ALA CB . 50513 1 716 . 1 . 1 130 130 ALA N N 15 117.8 0.2 . 1 . . . . . 108 ALA N . 50513 1 717 . 1 . 1 131 131 THR H H 1 7.82 0.02 . 1 . . . . . 109 THR H . 50513 1 718 . 1 . 1 131 131 THR HA H 1 4.41 0.02 . 1 . . . . . 109 THR HA . 50513 1 719 . 1 . 1 131 131 THR C C 13 178.4 0.2 . 1 . . . . . 109 THR C . 50513 1 720 . 1 . 1 131 131 THR CA C 13 60.1 0.2 . 1 . . . . . 109 THR CA . 50513 1 721 . 1 . 1 131 131 THR N N 15 109.6 0.2 . 1 . . . . . 109 THR N . 50513 1 722 . 1 . 1 132 132 VAL H H 1 7.90 0.02 . 1 . . . . . 110 VAL H . 50513 1 723 . 1 . 1 132 132 VAL HA H 1 4.26 0.02 . 1 . . . . . 110 VAL HA . 50513 1 724 . 1 . 1 132 132 VAL HB H 1 2.07 0.02 . 1 . . . . . 110 VAL HB . 50513 1 725 . 1 . 1 132 132 VAL HG11 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG1 . 50513 1 726 . 1 . 1 132 132 VAL HG12 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG1 . 50513 1 727 . 1 . 1 132 132 VAL HG13 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG1 . 50513 1 728 . 1 . 1 132 132 VAL HG21 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG2 . 50513 1 729 . 1 . 1 132 132 VAL HG22 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG2 . 50513 1 730 . 1 . 1 132 132 VAL HG23 H 1 0.84 0.02 . 2 . . . . . 110 VAL MG2 . 50513 1 731 . 1 . 1 132 132 VAL CA C 13 59.5 0.2 . 1 . . . . . 110 VAL CA . 50513 1 732 . 1 . 1 132 132 VAL CB C 13 30.2 0.2 . 1 . . . . . 110 VAL CB . 50513 1 733 . 1 . 1 132 132 VAL CG1 C 13 18.3 0.2 . 2 . . . . . 110 VAL CG1 . 50513 1 734 . 1 . 1 132 132 VAL CG2 C 13 18.3 0.2 . 2 . . . . . 110 VAL CG2 . 50513 1 735 . 1 . 1 132 132 VAL N N 15 120.9 0.2 . 1 . . . . . 110 VAL N . 50513 1 736 . 1 . 1 133 133 ARG H H 1 8.23 0.02 . 1 . . . . . 111 ARG H . 50513 1 737 . 1 . 1 133 133 ARG HB2 H 1 1.84 0.02 . 2 . . . . . 111 ARG HB2 . 50513 1 738 . 1 . 1 133 133 ARG HB3 H 1 1.76 0.02 . 2 . . . . . 111 ARG HB3 . 50513 1 739 . 1 . 1 133 133 ARG C C 13 175.8 0.2 . 1 . . . . . 111 ARG C . 50513 1 740 . 1 . 1 133 133 ARG CA C 13 53.2 0.2 . 1 . . . . . 111 ARG CA . 50513 1 741 . 1 . 1 133 133 ARG CB C 13 27.7 0.2 . 1 . . . . . 111 ARG CB . 50513 1 742 . 1 . 1 133 133 ARG CG C 13 24.2 0.2 . 1 . . . . . 111 ARG CG . 50513 1 743 . 1 . 1 133 133 ARG CD C 13 40.8 0.2 . 1 . . . . . 111 ARG CD . 50513 1 744 . 1 . 1 133 133 ARG N N 15 123.0 0.2 . 1 . . . . . 111 ARG N . 50513 1 745 . 1 . 1 134 134 LEU H H 1 8.29 0.02 . 1 . . . . . 112 LEU H . 50513 1 746 . 1 . 1 134 134 LEU HA H 1 4.45 0.02 . 1 . . . . . 112 LEU HA . 50513 1 747 . 1 . 1 134 134 LEU HB2 H 1 1.62 0.02 . 2 . . . . . 112 LEU HB2 . 50513 1 748 . 1 . 1 134 134 LEU HB3 H 1 1.62 0.02 . 2 . . . . . 112 LEU HB3 . 50513 1 749 . 1 . 1 134 134 LEU C C 13 176.5 0.2 . 1 . . . . . 112 LEU C . 50513 1 750 . 1 . 1 134 134 LEU CA C 13 52.8 0.2 . 1 . . . . . 112 LEU CA . 50513 1 751 . 1 . 1 134 134 LEU CB C 13 39.6 0.2 . 1 . . . . . 112 LEU CB . 50513 1 752 . 1 . 1 134 134 LEU CD1 C 13 20.7 0.2 . 2 . . . . . 112 LEU CD1 . 50513 1 753 . 1 . 1 134 134 LEU CD2 C 13 20.7 0.2 . 2 . . . . . 112 LEU CD2 . 50513 1 754 . 1 . 1 134 134 LEU N N 15 124.6 0.2 . 1 . . . . . 112 LEU N . 50513 1 755 . 1 . 1 135 135 GLN H H 1 7.91 0.02 . 1 . . . . . 113 GLN H . 50513 1 756 . 1 . 1 135 135 GLN HA H 1 4.15 0.02 . 1 . . . . . 113 GLN HA . 50513 1 757 . 1 . 1 135 135 GLN HB2 H 1 2.04 0.02 . 2 . . . . . 113 GLN HB2 . 50513 1 758 . 1 . 1 135 135 GLN HB3 H 1 1.87 0.02 . 2 . . . . . 113 GLN HB3 . 50513 1 759 . 1 . 1 135 135 GLN HG2 H 1 2.24 0.02 . 2 . . . . . 113 GLN HG2 . 50513 1 760 . 1 . 1 135 135 GLN HG3 H 1 2.24 0.02 . 2 . . . . . 113 GLN HG3 . 50513 1 761 . 1 . 1 135 135 GLN C C 13 180.3 0.2 . 1 . . . . . 113 GLN C . 50513 1 762 . 1 . 1 135 135 GLN CA C 13 54.9 0.2 . 1 . . . . . 113 GLN CA . 50513 1 763 . 1 . 1 135 135 GLN CB C 13 28.0 0.2 . 1 . . . . . 113 GLN CB . 50513 1 764 . 1 . 1 135 135 GLN CG C 13 31.4 0.2 . 1 . . . . . 113 GLN CG . 50513 1 765 . 1 . 1 135 135 GLN N N 15 125.1 0.2 . 1 . . . . . 113 GLN N . 50513 1 stop_ save_