data_53376 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53376 _Entry.Title ; HBX 1-120 isoform ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-29 _Entry.Accession_date 2025-09-29 _Entry.Last_release_date 2025-09-29 _Entry.Original_release_date 2025-09-29 _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 ; Backbone Assignment of the isoform 1-120 of the HBV X protein in 1M urea, 125 mM L-Arginine, 150 mM NaCl, 50 mM HEPES, pH 7.4. Assignment is transferred to a lower urea sample 190 mM urea, 125 mM L-Arginine, 150 mM NaCl, 50 mM HEPES, pH 7.4. ; _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 Alexis Clavier . . . 0000-0003-2318-4597 53376 2 Toshinobu Shida . . . 0009-0007-2473-0664 53376 3 Maxim Droemer . A. . 0009-0009-5280-2041 53376 4 Julian Holzinger . . . 0000-0002-0530-8413 53376 5 Anne Schutz . K. . 0000-0001-6398-5757 53376 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Anne Schutz group, LMU' . 53376 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53376 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 53376 '15N chemical shifts' 224 53376 '1H chemical shifts' 230 53376 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 . . 2025-11-10 . original BMRB . 53376 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53376 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41204047 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Sequential backbone chemical shift assignments of a cancer-associated isoform of the HBx protein from human hepatitis B virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4 _Citation.Page_last 4 _Citation.Year 2025 _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 Alexis Clavier . A. . . 53376 1 2 Toshinobu Shida . . . . 53376 1 3 Maxim Droemer . A. . . 53376 1 4 Julian Holzinger . . . . 53376 1 5 Anne Schutz . K. . . 53376 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARTINA 53376 1 HBV 53376 1 'HBx protein' 53376 1 'Hepatitis B virus' 53376 1 IDP 53376 1 'NMR assignment' 53376 1 'Non-structural viral proteins' 53376 1 'Solution NMR' 53376 1 'automated assignment' 53376 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53376 _Assembly.ID 1 _Assembly.Name 'HBx isoform 1-120' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 12850 _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 'HBx 1-120' 1 $entity_1 . . yes native no no . . . 53376 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53376 _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 ; MAARLCCQLDPARDVLCLRP VGAESCGRPFSGSLGTLSSP SPSAVPTDHGAHLSLRGLPV CAFSSAGPCALRFTSARRME TTVNAHQILPKVLHKRTLGL SAMSTTDLEAYFKDCLFKDW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'HBx genotype D : strain: Switzerland/Strubin/1999 (UniProt) (truncated 1-120)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _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 ; Multifunctional protein that plays a role in silencing host antiviral defenses and promoting viral transcription. Does not seem to be essential for HBV infection. May be directly involved in development of cirrhosis and liver cancer (hepatocellular carcinoma). ; 53376 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 . MET . 53376 1 2 . ALA . 53376 1 3 . ALA . 53376 1 4 . ARG . 53376 1 5 . LEU . 53376 1 6 . CYS . 53376 1 7 . CYS . 53376 1 8 . GLN . 53376 1 9 . LEU . 53376 1 10 . ASP . 53376 1 11 . PRO . 53376 1 12 . ALA . 53376 1 13 . ARG . 53376 1 14 . ASP . 53376 1 15 . VAL . 53376 1 16 . LEU . 53376 1 17 . CYS . 53376 1 18 . LEU . 53376 1 19 . ARG . 53376 1 20 . PRO . 53376 1 21 . VAL . 53376 1 22 . GLY . 53376 1 23 . ALA . 53376 1 24 . GLU . 53376 1 25 . SER . 53376 1 26 . CYS . 53376 1 27 . GLY . 53376 1 28 . ARG . 53376 1 29 . PRO . 53376 1 30 . PHE . 53376 1 31 . SER . 53376 1 32 . GLY . 53376 1 33 . SER . 53376 1 34 . LEU . 53376 1 35 . GLY . 53376 1 36 . THR . 53376 1 37 . LEU . 53376 1 38 . SER . 53376 1 39 . SER . 53376 1 40 . PRO . 53376 1 41 . SER . 53376 1 42 . PRO . 53376 1 43 . SER . 53376 1 44 . ALA . 53376 1 45 . VAL . 53376 1 46 . PRO . 53376 1 47 . THR . 53376 1 48 . ASP . 53376 1 49 . HIS . 53376 1 50 . GLY . 53376 1 51 . ALA . 53376 1 52 . HIS . 53376 1 53 . LEU . 53376 1 54 . SER . 53376 1 55 . LEU . 53376 1 56 . ARG . 53376 1 57 . GLY . 53376 1 58 . LEU . 53376 1 59 . PRO . 53376 1 60 . VAL . 53376 1 61 . CYS . 53376 1 62 . ALA . 53376 1 63 . PHE . 53376 1 64 . SER . 53376 1 65 . SER . 53376 1 66 . ALA . 53376 1 67 . GLY . 53376 1 68 . PRO . 53376 1 69 . CYS . 53376 1 70 . ALA . 53376 1 71 . LEU . 53376 1 72 . ARG . 53376 1 73 . PHE . 53376 1 74 . THR . 53376 1 75 . SER . 53376 1 76 . ALA . 53376 1 77 . ARG . 53376 1 78 . ARG . 53376 1 79 . MET . 53376 1 80 . GLU . 53376 1 81 . THR . 53376 1 82 . THR . 53376 1 83 . VAL . 53376 1 84 . ASN . 53376 1 85 . ALA . 53376 1 86 . HIS . 53376 1 87 . GLN . 53376 1 88 . ILE . 53376 1 89 . LEU . 53376 1 90 . PRO . 53376 1 91 . LYS . 53376 1 92 . VAL . 53376 1 93 . LEU . 53376 1 94 . HIS . 53376 1 95 . LYS . 53376 1 96 . ARG . 53376 1 97 . THR . 53376 1 98 . LEU . 53376 1 99 . GLY . 53376 1 100 . LEU . 53376 1 101 . SER . 53376 1 102 . ALA . 53376 1 103 . MET . 53376 1 104 . SER . 53376 1 105 . THR . 53376 1 106 . THR . 53376 1 107 . ASP . 53376 1 108 . LEU . 53376 1 109 . GLU . 53376 1 110 . ALA . 53376 1 111 . TYR . 53376 1 112 . PHE . 53376 1 113 . LYS . 53376 1 114 . ASP . 53376 1 115 . CYS . 53376 1 116 . LEU . 53376 1 117 . PHE . 53376 1 118 . LYS . 53376 1 119 . ASP . 53376 1 120 . TRP . 53376 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 53376 1 . ALA 2 2 53376 1 . ALA 3 3 53376 1 . ARG 4 4 53376 1 . LEU 5 5 53376 1 . CYS 6 6 53376 1 . CYS 7 7 53376 1 . GLN 8 8 53376 1 . LEU 9 9 53376 1 . ASP 10 10 53376 1 . PRO 11 11 53376 1 . ALA 12 12 53376 1 . ARG 13 13 53376 1 . ASP 14 14 53376 1 . VAL 15 15 53376 1 . LEU 16 16 53376 1 . CYS 17 17 53376 1 . LEU 18 18 53376 1 . ARG 19 19 53376 1 . PRO 20 20 53376 1 . VAL 21 21 53376 1 . GLY 22 22 53376 1 . ALA 23 23 53376 1 . GLU 24 24 53376 1 . SER 25 25 53376 1 . CYS 26 26 53376 1 . GLY 27 27 53376 1 . ARG 28 28 53376 1 . PRO 29 29 53376 1 . PHE 30 30 53376 1 . SER 31 31 53376 1 . GLY 32 32 53376 1 . SER 33 33 53376 1 . LEU 34 34 53376 1 . GLY 35 35 53376 1 . THR 36 36 53376 1 . LEU 37 37 53376 1 . SER 38 38 53376 1 . SER 39 39 53376 1 . PRO 40 40 53376 1 . SER 41 41 53376 1 . PRO 42 42 53376 1 . SER 43 43 53376 1 . ALA 44 44 53376 1 . VAL 45 45 53376 1 . PRO 46 46 53376 1 . THR 47 47 53376 1 . ASP 48 48 53376 1 . HIS 49 49 53376 1 . GLY 50 50 53376 1 . ALA 51 51 53376 1 . HIS 52 52 53376 1 . LEU 53 53 53376 1 . SER 54 54 53376 1 . LEU 55 55 53376 1 . ARG 56 56 53376 1 . GLY 57 57 53376 1 . LEU 58 58 53376 1 . PRO 59 59 53376 1 . VAL 60 60 53376 1 . CYS 61 61 53376 1 . ALA 62 62 53376 1 . PHE 63 63 53376 1 . SER 64 64 53376 1 . SER 65 65 53376 1 . ALA 66 66 53376 1 . GLY 67 67 53376 1 . PRO 68 68 53376 1 . CYS 69 69 53376 1 . ALA 70 70 53376 1 . LEU 71 71 53376 1 . ARG 72 72 53376 1 . PHE 73 73 53376 1 . THR 74 74 53376 1 . SER 75 75 53376 1 . ALA 76 76 53376 1 . ARG 77 77 53376 1 . ARG 78 78 53376 1 . MET 79 79 53376 1 . GLU 80 80 53376 1 . THR 81 81 53376 1 . THR 82 82 53376 1 . VAL 83 83 53376 1 . ASN 84 84 53376 1 . ALA 85 85 53376 1 . HIS 86 86 53376 1 . GLN 87 87 53376 1 . ILE 88 88 53376 1 . LEU 89 89 53376 1 . PRO 90 90 53376 1 . LYS 91 91 53376 1 . VAL 92 92 53376 1 . LEU 93 93 53376 1 . HIS 94 94 53376 1 . LYS 95 95 53376 1 . ARG 96 96 53376 1 . THR 97 97 53376 1 . LEU 98 98 53376 1 . GLY 99 99 53376 1 . LEU 100 100 53376 1 . SER 101 101 53376 1 . ALA 102 102 53376 1 . MET 103 103 53376 1 . SER 104 104 53376 1 . THR 105 105 53376 1 . THR 106 106 53376 1 . ASP 107 107 53376 1 . LEU 108 108 53376 1 . GLU 109 109 53376 1 . ALA 110 110 53376 1 . TYR 111 111 53376 1 . PHE 112 112 53376 1 . LYS 113 113 53376 1 . ASP 114 114 53376 1 . CYS 115 115 53376 1 . LEU 116 116 53376 1 . PHE 117 117 53376 1 . LYS 118 118 53376 1 . ASP 119 119 53376 1 . TRP 120 120 53376 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 53376 _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 . 10407 virus . 'hepatitis B' 'hepatitis B' . . Viruses . Orthohepadnavirus 'hepatitis B' . . . . . . . . . . . X . 53376 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 53376 _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) . . plasmid . . pet28a(+) . . . 53376 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53376 _Sample.ID 1 _Sample.Name 'HBx_1_120 1M Urea' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HBx_1_120 in 1M Urea, 125 mM L-arginine, 150 mM NaCl, 50 mM HEPES, pH 7.4. (10% D2O)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HBx 1-120' '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 280 . . uM . . . . 53376 1 2 urea 'natural abundance' . . . . . . 1 . . M . . . . 53376 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 53376 1 4 D2O 'natural abundance' . . . . . . 5.55 . . M . . . . 53376 1 5 L-arginine 'natural abundance' . . . . . . 125 . . mM . . . . 53376 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53376 1 7 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 53376 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53376 _Sample.ID 2 _Sample.Name 'HBx_1_120 190mM Urea' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HBx_1_120 in 1M Urea, 125 mM L-arginine, 150 mM NaCl, 50 mM HEPES, pH 7.4. (10% D2O)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HBx 1-120' '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 50 . . uM . . . . 53376 2 2 urea 'natural abundance' . . . . . . 190 . . mM . . . . 53376 2 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 53376 2 4 D2O 'natural abundance' . . . . . . 5.55 . . M . . . . 53376 2 5 L-arginine 'natural abundance' . . . . . . 125 . . mM . . . . 53376 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53376 2 7 DTT 'natural abundance' . . . . . . 0.62 . . mM . . . . 53376 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 53376 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'High Urea' _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 pH 7.4 . pH 53376 1 temperature 277 . K 53376 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53376 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Low Urea' _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 pH 7.4 . pH 53376 2 temperature 277 . K 53376 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53376 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53376 1 'peak picking' . 53376 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53376 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53376 2 processing . 53376 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53376 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53376 3 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 53376 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53376 _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 HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53376 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53376 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53376 1 4 '2D 1H-15N HMQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53376 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 53376 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name standard _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 . . . . . 53376 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53376 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53376 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 53376 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HBx_1_120_1M_Urea _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HMQC' . . . 53376 1 2 '3D HNCACB' . . . 53376 1 3 '3D HNCO' . . . 53376 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 . . 53376 1 2 $software_2 . . 53376 1 3 $software_3 . . 53376 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 3 3 ALA C C 13 177.2308 . . 1 . . . . . 3 ALA C . 53376 1 2 . 1 . 1 3 3 ALA CA C 13 52.0012 . . 1 . . . . . 3 ALA CA . 53376 1 3 . 1 . 1 3 3 ALA CB C 13 18.8882 . . 1 . . . . . 3 ALA CB . 53376 1 4 . 1 . 1 4 4 ARG H H 1 8.3092 . . 1 . . . . . 4 ARG H . 53376 1 5 . 1 . 1 4 4 ARG C C 13 175.9816 . . 1 . . . . . 4 ARG C . 53376 1 6 . 1 . 1 4 4 ARG CA C 13 55.7347 . . 1 . . . . . 4 ARG CA . 53376 1 7 . 1 . 1 4 4 ARG CB C 13 30.5661 . . 1 . . . . . 4 ARG CB . 53376 1 8 . 1 . 1 4 4 ARG N N 15 121.4772 . . 1 . . . . . 4 ARG N . 53376 1 9 . 1 . 1 5 5 LEU H H 1 8.2952 . . 1 . . . . . 5 LEU H . 53376 1 10 . 1 . 1 5 5 LEU C C 13 177.0974 . . 1 . . . . . 5 LEU C . 53376 1 11 . 1 . 1 5 5 LEU CA C 13 54.8075 . . 1 . . . . . 5 LEU CA . 53376 1 12 . 1 . 1 5 5 LEU CB C 13 42.0189 . . 1 . . . . . 5 LEU CB . 53376 1 13 . 1 . 1 5 5 LEU N N 15 124.5026 . . 1 . . . . . 5 LEU N . 53376 1 14 . 1 . 1 6 6 CYS H H 1 8.2171 . . 1 . . . . . 6 CYS H . 53376 1 15 . 1 . 1 6 6 CYS C C 13 174.3157 . . 1 . . . . . 6 CYS C . 53376 1 16 . 1 . 1 6 6 CYS CA C 13 58.3943 . . 1 . . . . . 6 CYS CA . 53376 1 17 . 1 . 1 6 6 CYS CB C 13 27.7572 . . 1 . . . . . 6 CYS CB . 53376 1 18 . 1 . 1 6 6 CYS N N 15 120.1599 . . 1 . . . . . 6 CYS N . 53376 1 19 . 1 . 1 7 7 CYS H H 1 8.2408 . . 1 . . . . . 7 CYS H . 53376 1 20 . 1 . 1 7 7 CYS C C 13 174.2393 . . 1 . . . . . 7 CYS C . 53376 1 21 . 1 . 1 7 7 CYS CA C 13 58.4810 . . 1 . . . . . 7 CYS CA . 53376 1 22 . 1 . 1 7 7 CYS CB C 13 27.8309 . . 1 . . . . . 7 CYS CB . 53376 1 23 . 1 . 1 7 7 CYS N N 15 121.7797 . . 1 . . . . . 7 CYS N . 53376 1 24 . 1 . 1 8 8 GLN H H 1 8.3304 . . 1 . . . . . 8 GLN H . 53376 1 25 . 1 . 1 8 8 GLN HE21 H 1 7.3902 . . 1 . . . . . 8 GLN HE21 . 53376 1 26 . 1 . 1 8 8 GLN HE22 H 1 6.7137 . . 1 . . . . . 8 GLN HE22 . 53376 1 27 . 1 . 1 8 8 GLN C C 13 175.3606 . . 1 . . . . . 8 GLN C . 53376 1 28 . 1 . 1 8 8 GLN CA C 13 55.5821 . . 1 . . . . . 8 GLN CA . 53376 1 29 . 1 . 1 8 8 GLN CB C 13 29.0412 . . 1 . . . . . 8 GLN CB . 53376 1 30 . 1 . 1 8 8 GLN N N 15 123.0223 . . 1 . . . . . 8 GLN N . 53376 1 31 . 1 . 1 8 8 GLN NE2 N 15 112.8880 . . 1 . . . . . 8 GLN NE2 . 53376 1 32 . 1 . 1 9 9 LEU H H 1 8.1640 . . 1 . . . . . 9 LEU H . 53376 1 33 . 1 . 1 9 9 LEU C C 13 176.4935 . . 1 . . . . . 9 LEU C . 53376 1 34 . 1 . 1 9 9 LEU CA C 13 54.6298 . . 1 . . . . . 9 LEU CA . 53376 1 35 . 1 . 1 9 9 LEU CB C 13 42.1239 . . 1 . . . . . 9 LEU CB . 53376 1 36 . 1 . 1 9 9 LEU N N 15 123.5984 . . 1 . . . . . 9 LEU N . 53376 1 37 . 1 . 1 10 10 ASP H H 1 8.2973 . . 1 . . . . . 10 ASP H . 53376 1 38 . 1 . 1 10 10 ASP CA C 13 51.7344 . . 1 . . . . . 10 ASP CA . 53376 1 39 . 1 . 1 10 10 ASP CB C 13 40.8204 . . 1 . . . . . 10 ASP CB . 53376 1 40 . 1 . 1 10 10 ASP N N 15 122.7680 . . 1 . . . . . 10 ASP N . 53376 1 41 . 1 . 1 11 11 PRO C C 13 179.0356 . . 1 . . . . . 11 PRO C . 53376 1 42 . 1 . 1 12 12 ALA H H 1 8.1508 . . 1 . . . . . 12 ALA H . 53376 1 43 . 1 . 1 12 12 ALA C C 13 177.7121 . . 1 . . . . . 12 ALA C . 53376 1 44 . 1 . 1 12 12 ALA CA C 13 52.3291 . . 1 . . . . . 12 ALA CA . 53376 1 45 . 1 . 1 12 12 ALA CB C 13 18.7075 . . 1 . . . . . 12 ALA CB . 53376 1 46 . 1 . 1 12 12 ALA N N 15 122.2914 . . 1 . . . . . 12 ALA N . 53376 1 47 . 1 . 1 13 13 ARG H H 1 7.8072 . . 1 . . . . . 13 ARG H . 53376 1 48 . 1 . 1 13 13 ARG C C 13 175.7484 . . 1 . . . . . 13 ARG C . 53376 1 49 . 1 . 1 13 13 ARG CA C 13 55.8427 . . 1 . . . . . 13 ARG CA . 53376 1 50 . 1 . 1 13 13 ARG CB C 13 30.6543 . . 1 . . . . . 13 ARG CB . 53376 1 51 . 1 . 1 13 13 ARG N N 15 119.1752 . . 1 . . . . . 13 ARG N . 53376 1 52 . 1 . 1 14 14 ASP H H 1 8.1231 . . 1 . . . . . 14 ASP H . 53376 1 53 . 1 . 1 14 14 ASP C C 13 176.0419 . . 1 . . . . . 14 ASP C . 53376 1 54 . 1 . 1 14 14 ASP CA C 13 54.0741 . . 1 . . . . . 14 ASP CA . 53376 1 55 . 1 . 1 14 14 ASP CB C 13 40.8057 . . 1 . . . . . 14 ASP CB . 53376 1 56 . 1 . 1 14 14 ASP N N 15 121.1283 . . 1 . . . . . 14 ASP N . 53376 1 57 . 1 . 1 15 15 VAL H H 1 7.8527 . . 1 . . . . . 15 VAL H . 53376 1 58 . 1 . 1 15 15 VAL C C 13 176.0387 . . 1 . . . . . 15 VAL C . 53376 1 59 . 1 . 1 15 15 VAL CA C 13 62.2159 . . 1 . . . . . 15 VAL CA . 53376 1 60 . 1 . 1 15 15 VAL CB C 13 32.1601 . . 1 . . . . . 15 VAL CB . 53376 1 61 . 1 . 1 15 15 VAL N N 15 120.0072 . . 1 . . . . . 15 VAL N . 53376 1 62 . 1 . 1 16 16 LEU H H 1 8.1280 . . 1 . . . . . 16 LEU H . 53376 1 63 . 1 . 1 16 16 LEU C C 13 176.8894 . . 1 . . . . . 16 LEU C . 53376 1 64 . 1 . 1 16 16 LEU CA C 13 54.9666 . . 1 . . . . . 16 LEU CA . 53376 1 65 . 1 . 1 16 16 LEU CB C 13 41.7510 . . 1 . . . . . 16 LEU CB . 53376 1 66 . 1 . 1 16 16 LEU N N 15 124.8095 . . 1 . . . . . 16 LEU N . 53376 1 67 . 1 . 1 17 17 CYS H H 1 8.0821 . . 1 . . . . . 17 CYS H . 53376 1 68 . 1 . 1 17 17 CYS C C 13 174.1163 . . 1 . . . . . 17 CYS C . 53376 1 69 . 1 . 1 17 17 CYS CA C 13 58.2046 . . 1 . . . . . 17 CYS CA . 53376 1 70 . 1 . 1 17 17 CYS CB C 13 27.4763 . . 1 . . . . . 17 CYS CB . 53376 1 71 . 1 . 1 17 17 CYS N N 15 120.4882 . . 1 . . . . . 17 CYS N . 53376 1 72 . 1 . 1 18 18 LEU H H 1 8.1684 . . 1 . . . . . 18 LEU H . 53376 1 73 . 1 . 1 18 18 LEU C C 13 176.1366 . . 1 . . . . . 18 LEU C . 53376 1 74 . 1 . 1 18 18 LEU CA C 13 54.7526 . . 1 . . . . . 18 LEU CA . 53376 1 75 . 1 . 1 18 18 LEU CB C 13 41.9596 . . 1 . . . . . 18 LEU CB . 53376 1 76 . 1 . 1 18 18 LEU N N 15 124.9910 . . 1 . . . . . 18 LEU N . 53376 1 77 . 1 . 1 19 19 ARG H H 1 8.1144 . . 1 . . . . . 19 ARG H . 53376 1 78 . 1 . 1 19 19 ARG CA C 13 55.7506 . . 1 . . . . . 19 ARG CA . 53376 1 79 . 1 . 1 19 19 ARG CB C 13 30.3661 . . 1 . . . . . 19 ARG CB . 53376 1 80 . 1 . 1 19 19 ARG N N 15 123.3252 . . 1 . . . . . 19 ARG N . 53376 1 81 . 1 . 1 20 20 PRO C C 13 176.5951 . . 1 . . . . . 20 PRO C . 53376 1 82 . 1 . 1 20 20 PRO CA C 13 62.7037 . . 1 . . . . . 20 PRO CA . 53376 1 83 . 1 . 1 20 20 PRO CB C 13 31.8067 . . 1 . . . . . 20 PRO CB . 53376 1 84 . 1 . 1 21 21 VAL H H 1 8.1978 . . 1 . . . . . 21 VAL H . 53376 1 85 . 1 . 1 21 21 VAL C C 13 176.6726 . . 1 . . . . . 21 VAL C . 53376 1 86 . 1 . 1 21 21 VAL CA C 13 62.4133 . . 1 . . . . . 21 VAL CA . 53376 1 87 . 1 . 1 21 21 VAL CB C 13 32.3860 . . 1 . . . . . 21 VAL CB . 53376 1 88 . 1 . 1 21 21 VAL N N 15 121.0404 . . 1 . . . . . 21 VAL N . 53376 1 89 . 1 . 1 22 22 GLY H H 1 8.3894 . . 1 . . . . . 22 GLY H . 53376 1 90 . 1 . 1 22 22 GLY C C 13 173.7243 . . 1 . . . . . 22 GLY C . 53376 1 91 . 1 . 1 22 22 GLY CA C 13 44.7974 . . 1 . . . . . 22 GLY CA . 53376 1 92 . 1 . 1 22 22 GLY N N 15 112.9755 . . 1 . . . . . 22 GLY N . 53376 1 93 . 1 . 1 23 23 ALA H H 1 8.0459 . . 1 . . . . . 23 ALA H . 53376 1 94 . 1 . 1 23 23 ALA C C 13 177.7700 . . 1 . . . . . 23 ALA C . 53376 1 95 . 1 . 1 23 23 ALA CA C 13 52.3677 . . 1 . . . . . 23 ALA CA . 53376 1 96 . 1 . 1 23 23 ALA CB C 13 19.0174 . . 1 . . . . . 23 ALA CB . 53376 1 97 . 1 . 1 23 23 ALA N N 15 123.8390 . . 1 . . . . . 23 ALA N . 53376 1 98 . 1 . 1 24 24 GLU H H 1 8.4233 . . 1 . . . . . 24 GLU H . 53376 1 99 . 1 . 1 24 24 GLU C C 13 176.5260 . . 1 . . . . . 24 GLU C . 53376 1 100 . 1 . 1 24 24 GLU CA C 13 56.4864 . . 1 . . . . . 24 GLU CA . 53376 1 101 . 1 . 1 24 24 GLU CB C 13 29.6804 . . 1 . . . . . 24 GLU CB . 53376 1 102 . 1 . 1 24 24 GLU N N 15 119.7311 . . 1 . . . . . 24 GLU N . 53376 1 103 . 1 . 1 25 25 SER H H 1 8.1970 . . 1 . . . . . 25 SER H . 53376 1 104 . 1 . 1 25 25 SER C C 13 174.3369 . . 1 . . . . . 25 SER C . 53376 1 105 . 1 . 1 25 25 SER CA C 13 58.1614 . . 1 . . . . . 25 SER CA . 53376 1 106 . 1 . 1 25 25 SER CB C 13 63.4564 . . 1 . . . . . 25 SER CB . 53376 1 107 . 1 . 1 25 25 SER N N 15 116.5136 . . 1 . . . . . 25 SER N . 53376 1 108 . 1 . 1 26 26 CYS H H 1 8.1942 . . 1 . . . . . 26 CYS H . 53376 1 109 . 1 . 1 26 26 CYS C C 13 174.7623 . . 1 . . . . . 26 CYS C . 53376 1 110 . 1 . 1 26 26 CYS CA C 13 58.4522 . . 1 . . . . . 26 CYS CA . 53376 1 111 . 1 . 1 26 26 CYS CB C 13 27.8935 . . 1 . . . . . 26 CYS CB . 53376 1 112 . 1 . 1 26 26 CYS N N 15 120.7852 . . 1 . . . . . 26 CYS N . 53376 1 113 . 1 . 1 27 27 GLY H H 1 8.2752 . . 1 . . . . . 27 GLY H . 53376 1 114 . 1 . 1 27 27 GLY C C 13 173.3061 . . 1 . . . . . 27 GLY C . 53376 1 115 . 1 . 1 27 27 GLY CA C 13 44.8326 . . 1 . . . . . 27 GLY CA . 53376 1 116 . 1 . 1 27 27 GLY N N 15 110.8497 . . 1 . . . . . 27 GLY N . 53376 1 117 . 1 . 1 28 28 ARG H H 1 8.0071 . . 1 . . . . . 28 ARG H . 53376 1 118 . 1 . 1 28 28 ARG CA C 13 53.6921 . . 1 . . . . . 28 ARG CA . 53376 1 119 . 1 . 1 28 28 ARG CB C 13 29.8391 . . 1 . . . . . 28 ARG CB . 53376 1 120 . 1 . 1 28 28 ARG N N 15 121.5677 . . 1 . . . . . 28 ARG N . 53376 1 121 . 1 . 1 29 29 PRO C C 13 176.3050 . . 1 . . . . . 29 PRO C . 53376 1 122 . 1 . 1 29 29 PRO CA C 13 62.7693 . . 1 . . . . . 29 PRO CA . 53376 1 123 . 1 . 1 29 29 PRO CB C 13 31.7257 . . 1 . . . . . 29 PRO CB . 53376 1 124 . 1 . 1 30 30 PHE H H 1 8.3073 . . 1 . . . . . 30 PHE H . 53376 1 125 . 1 . 1 30 30 PHE C C 13 175.6955 . . 1 . . . . . 30 PHE C . 53376 1 126 . 1 . 1 30 30 PHE CA C 13 57.6656 . . 1 . . . . . 30 PHE CA . 53376 1 127 . 1 . 1 30 30 PHE CB C 13 39.1047 . . 1 . . . . . 30 PHE CB . 53376 1 128 . 1 . 1 30 30 PHE N N 15 121.0283 . . 1 . . . . . 30 PHE N . 53376 1 129 . 1 . 1 31 31 SER H H 1 8.1217 . . 1 . . . . . 31 SER H . 53376 1 130 . 1 . 1 31 31 SER C C 13 174.3373 . . 1 . . . . . 31 SER C . 53376 1 131 . 1 . 1 31 31 SER CA C 13 57.8345 . . 1 . . . . . 31 SER CA . 53376 1 132 . 1 . 1 31 31 SER CB C 13 63.5315 . . 1 . . . . . 31 SER CB . 53376 1 133 . 1 . 1 31 31 SER N N 15 118.4557 . . 1 . . . . . 31 SER N . 53376 1 134 . 1 . 1 32 32 GLY H H 1 7.5073 . . 1 . . . . . 32 GLY H . 53376 1 135 . 1 . 1 32 32 GLY C C 13 173.6682 . . 1 . . . . . 32 GLY C . 53376 1 136 . 1 . 1 32 32 GLY CA C 13 44.9194 . . 1 . . . . . 32 GLY CA . 53376 1 137 . 1 . 1 32 32 GLY N N 15 110.2617 . . 1 . . . . . 32 GLY N . 53376 1 138 . 1 . 1 33 33 SER H H 1 8.0521 . . 1 . . . . . 33 SER H . 53376 1 139 . 1 . 1 33 33 SER C C 13 174.5183 . . 1 . . . . . 33 SER C . 53376 1 140 . 1 . 1 33 33 SER CA C 13 58.0046 . . 1 . . . . . 33 SER CA . 53376 1 141 . 1 . 1 33 33 SER CB C 13 63.5221 . . 1 . . . . . 33 SER CB . 53376 1 142 . 1 . 1 33 33 SER N N 15 115.4977 . . 1 . . . . . 33 SER N . 53376 1 143 . 1 . 1 34 34 LEU H H 1 8.2537 . . 1 . . . . . 34 LEU H . 53376 1 144 . 1 . 1 34 34 LEU C C 13 177.7116 . . 1 . . . . . 34 LEU C . 53376 1 145 . 1 . 1 34 34 LEU CA C 13 55.1402 . . 1 . . . . . 34 LEU CA . 53376 1 146 . 1 . 1 34 34 LEU CB C 13 41.9044 . . 1 . . . . . 34 LEU CB . 53376 1 147 . 1 . 1 34 34 LEU N N 15 124.0522 . . 1 . . . . . 34 LEU N . 53376 1 148 . 1 . 1 35 35 GLY H H 1 8.2198 . . 1 . . . . . 35 GLY H . 53376 1 149 . 1 . 1 35 35 GLY C C 13 173.9869 . . 1 . . . . . 35 GLY C . 53376 1 150 . 1 . 1 35 35 GLY CA C 13 44.9560 . . 1 . . . . . 35 GLY CA . 53376 1 151 . 1 . 1 35 35 GLY N N 15 109.2674 . . 1 . . . . . 35 GLY N . 53376 1 152 . 1 . 1 36 36 THR H H 1 7.8670 . . 1 . . . . . 36 THR H . 53376 1 153 . 1 . 1 36 36 THR C C 13 174.4494 . . 1 . . . . . 36 THR C . 53376 1 154 . 1 . 1 36 36 THR CA C 13 61.5464 . . 1 . . . . . 36 THR CA . 53376 1 155 . 1 . 1 36 36 THR CB C 13 69.6061 . . 1 . . . . . 36 THR CB . 53376 1 156 . 1 . 1 36 36 THR N N 15 113.7183 . . 1 . . . . . 36 THR N . 53376 1 157 . 1 . 1 37 37 LEU H H 1 8.1771 . . 1 . . . . . 37 LEU H . 53376 1 158 . 1 . 1 37 37 LEU C C 13 177.1257 . . 1 . . . . . 37 LEU C . 53376 1 159 . 1 . 1 37 37 LEU CA C 13 54.9037 . . 1 . . . . . 37 LEU CA . 53376 1 160 . 1 . 1 37 37 LEU CB C 13 41.9543 . . 1 . . . . . 37 LEU CB . 53376 1 161 . 1 . 1 37 37 LEU N N 15 124.4477 . . 1 . . . . . 37 LEU N . 53376 1 162 . 1 . 1 38 38 SER H H 1 8.1321 . . 1 . . . . . 38 SER H . 53376 1 163 . 1 . 1 38 38 SER C C 13 173.7867 . . 1 . . . . . 38 SER C . 53376 1 164 . 1 . 1 38 38 SER CA C 13 57.9051 . . 1 . . . . . 38 SER CA . 53376 1 165 . 1 . 1 38 38 SER CB C 13 63.5268 . . 1 . . . . . 38 SER CB . 53376 1 166 . 1 . 1 38 38 SER N N 15 116.6733 . . 1 . . . . . 38 SER N . 53376 1 167 . 1 . 1 39 39 SER H H 1 8.1287 . . 1 . . . . . 39 SER H . 53376 1 168 . 1 . 1 39 39 SER CA C 13 56.1052 . . 1 . . . . . 39 SER CA . 53376 1 169 . 1 . 1 39 39 SER CB C 13 62.9212 . . 1 . . . . . 39 SER CB . 53376 1 170 . 1 . 1 39 39 SER N N 15 118.7560 . . 1 . . . . . 39 SER N . 53376 1 171 . 1 . 1 40 40 PRO C C 13 176.4593 . . 1 . . . . . 40 PRO C . 53376 1 172 . 1 . 1 40 40 PRO CB C 13 31.7684 . . 1 . . . . . 40 PRO CB . 53376 1 173 . 1 . 1 41 41 SER H H 1 8.3376 . . 1 . . . . . 41 SER H . 53376 1 174 . 1 . 1 41 41 SER CA C 13 56.1360 . . 1 . . . . . 41 SER CA . 53376 1 175 . 1 . 1 41 41 SER CB C 13 62.9295 . . 1 . . . . . 41 SER CB . 53376 1 176 . 1 . 1 41 41 SER N N 15 117.9269 . . 1 . . . . . 41 SER N . 53376 1 177 . 1 . 1 42 42 PRO C C 13 176.6260 . . 1 . . . . . 42 PRO C . 53376 1 178 . 1 . 1 42 42 PRO CA C 13 62.9324 . . 1 . . . . . 42 PRO CA . 53376 1 179 . 1 . 1 42 42 PRO CB C 13 31.7724 . . 1 . . . . . 42 PRO CB . 53376 1 180 . 1 . 1 43 43 SER H H 1 8.1601 . . 1 . . . . . 43 SER H . 53376 1 181 . 1 . 1 43 43 SER C C 13 173.8603 . . 1 . . . . . 43 SER C . 53376 1 182 . 1 . 1 43 43 SER CA C 13 57.9072 . . 1 . . . . . 43 SER CA . 53376 1 183 . 1 . 1 43 43 SER CB C 13 63.4739 . . 1 . . . . . 43 SER CB . 53376 1 184 . 1 . 1 43 43 SER N N 15 115.7307 . . 1 . . . . . 43 SER N . 53376 1 185 . 1 . 1 44 44 ALA H H 1 8.1328 . . 1 . . . . . 44 ALA H . 53376 1 186 . 1 . 1 44 44 ALA C C 13 177.0939 . . 1 . . . . . 44 ALA C . 53376 1 187 . 1 . 1 44 44 ALA CA C 13 51.9942 . . 1 . . . . . 44 ALA CA . 53376 1 188 . 1 . 1 44 44 ALA CB C 13 18.9962 . . 1 . . . . . 44 ALA CB . 53376 1 189 . 1 . 1 44 44 ALA N N 15 126.1889 . . 1 . . . . . 44 ALA N . 53376 1 190 . 1 . 1 45 45 VAL H H 1 7.9849 . . 1 . . . . . 45 VAL H . 53376 1 191 . 1 . 1 45 45 VAL CA C 13 59.5870 . . 1 . . . . . 45 VAL CA . 53376 1 192 . 1 . 1 45 45 VAL CB C 13 32.1795 . . 1 . . . . . 45 VAL CB . 53376 1 193 . 1 . 1 45 45 VAL N N 15 121.1423 . . 1 . . . . . 45 VAL N . 53376 1 194 . 1 . 1 46 46 PRO C C 13 176.7464 . . 1 . . . . . 46 PRO C . 53376 1 195 . 1 . 1 46 46 PRO CA C 13 62.9187 . . 1 . . . . . 46 PRO CA . 53376 1 196 . 1 . 1 46 46 PRO CB C 13 31.9526 . . 1 . . . . . 46 PRO CB . 53376 1 197 . 1 . 1 47 47 THR H H 1 8.1160 . . 1 . . . . . 47 THR H . 53376 1 198 . 1 . 1 47 47 THR C C 13 176.6352 . . 1 . . . . . 47 THR C . 53376 1 199 . 1 . 1 47 47 THR CA C 13 61.6964 . . 1 . . . . . 47 THR CA . 53376 1 200 . 1 . 1 47 47 THR CB C 13 69.4904 . . 1 . . . . . 47 THR CB . 53376 1 201 . 1 . 1 47 47 THR N N 15 114.5830 . . 1 . . . . . 47 THR N . 53376 1 202 . 1 . 1 48 48 ASP H H 1 8.1742 . . 1 . . . . . 48 ASP H . 53376 1 203 . 1 . 1 48 48 ASP C C 13 175.8756 . . 1 . . . . . 48 ASP C . 53376 1 204 . 1 . 1 48 48 ASP CA C 13 53.5631 . . 1 . . . . . 48 ASP CA . 53376 1 205 . 1 . 1 48 48 ASP CB C 13 40.6991 . . 1 . . . . . 48 ASP CB . 53376 1 206 . 1 . 1 48 48 ASP N N 15 122.4784 . . 1 . . . . . 48 ASP N . 53376 1 207 . 1 . 1 49 49 HIS H H 1 8.1450 . . 1 . . . . . 49 HIS H . 53376 1 208 . 1 . 1 49 49 HIS C C 13 175.8226 . . 1 . . . . . 49 HIS C . 53376 1 209 . 1 . 1 49 49 HIS CA C 13 56.5719 . . 1 . . . . . 49 HIS CA . 53376 1 210 . 1 . 1 49 49 HIS CB C 13 30.2132 . . 1 . . . . . 49 HIS CB . 53376 1 211 . 1 . 1 49 49 HIS N N 15 120.8915 . . 1 . . . . . 49 HIS N . 53376 1 212 . 1 . 1 50 50 GLY H H 1 8.2489 . . 1 . . . . . 50 GLY H . 53376 1 213 . 1 . 1 50 50 GLY C C 13 174.0146 . . 1 . . . . . 50 GLY C . 53376 1 214 . 1 . 1 50 50 GLY CA C 13 45.0962 . . 1 . . . . . 50 GLY CA . 53376 1 215 . 1 . 1 50 50 GLY N N 15 109.3094 . . 1 . . . . . 50 GLY N . 53376 1 216 . 1 . 1 51 51 ALA H H 1 7.9547 . . 1 . . . . . 51 ALA H . 53376 1 217 . 1 . 1 51 51 ALA C C 13 177.5060 . . 1 . . . . . 51 ALA C . 53376 1 218 . 1 . 1 51 51 ALA CA C 13 52.6192 . . 1 . . . . . 51 ALA CA . 53376 1 219 . 1 . 1 51 51 ALA CB C 13 18.6657 . . 1 . . . . . 51 ALA CB . 53376 1 220 . 1 . 1 51 51 ALA N N 15 123.6427 . . 1 . . . . . 51 ALA N . 53376 1 221 . 1 . 1 52 52 HIS H H 1 8.1417 . . 1 . . . . . 52 HIS H . 53376 1 222 . 1 . 1 52 52 HIS C C 13 175.4261 . . 1 . . . . . 52 HIS C . 53376 1 223 . 1 . 1 52 52 HIS CA C 13 56.2768 . . 1 . . . . . 52 HIS CA . 53376 1 224 . 1 . 1 52 52 HIS CB C 13 30.1145 . . 1 . . . . . 52 HIS CB . 53376 1 225 . 1 . 1 52 52 HIS N N 15 118.0478 . . 1 . . . . . 52 HIS N . 53376 1 226 . 1 . 1 53 53 LEU H H 1 7.8182 . . 1 . . . . . 53 LEU H . 53376 1 227 . 1 . 1 53 53 LEU C C 13 177.1825 . . 1 . . . . . 53 LEU C . 53376 1 228 . 1 . 1 53 53 LEU CA C 13 55.0278 . . 1 . . . . . 53 LEU CA . 53376 1 229 . 1 . 1 53 53 LEU CB C 13 41.8067 . . 1 . . . . . 53 LEU CB . 53376 1 230 . 1 . 1 53 53 LEU N N 15 122.9436 . . 1 . . . . . 53 LEU N . 53376 1 231 . 1 . 1 54 54 SER H H 1 8.1616 . . 1 . . . . . 54 SER H . 53376 1 232 . 1 . 1 54 54 SER C C 13 174.5316 . . 1 . . . . . 54 SER C . 53376 1 233 . 1 . 1 54 54 SER CA C 13 58.0924 . . 1 . . . . . 54 SER CA . 53376 1 234 . 1 . 1 54 54 SER CB C 13 63.3904 . . 1 . . . . . 54 SER CB . 53376 1 235 . 1 . 1 54 54 SER N N 15 116.2261 . . 1 . . . . . 54 SER N . 53376 1 236 . 1 . 1 55 55 LEU H H 1 8.1068 . . 1 . . . . . 55 LEU H . 53376 1 237 . 1 . 1 55 55 LEU C C 13 177.2386 . . 1 . . . . . 55 LEU C . 53376 1 238 . 1 . 1 55 55 LEU CA C 13 55.0303 . . 1 . . . . . 55 LEU CA . 53376 1 239 . 1 . 1 55 55 LEU CB C 13 41.7319 . . 1 . . . . . 55 LEU CB . 53376 1 240 . 1 . 1 55 55 LEU N N 15 123.8226 . . 1 . . . . . 55 LEU N . 53376 1 241 . 1 . 1 56 56 ARG H H 1 8.0385 . . 1 . . . . . 56 ARG H . 53376 1 242 . 1 . 1 56 56 ARG C C 13 176.3937 . . 1 . . . . . 56 ARG C . 53376 1 243 . 1 . 1 56 56 ARG CA C 13 55.9938 . . 1 . . . . . 56 ARG CA . 53376 1 244 . 1 . 1 56 56 ARG CB C 13 30.3027 . . 1 . . . . . 56 ARG CB . 53376 1 245 . 1 . 1 56 56 ARG N N 15 120.6317 . . 1 . . . . . 56 ARG N . 53376 1 246 . 1 . 1 57 57 GLY H H 1 8.1578 . . 1 . . . . . 57 GLY H . 53376 1 247 . 1 . 1 57 57 GLY C C 13 173.3737 . . 1 . . . . . 57 GLY C . 53376 1 248 . 1 . 1 57 57 GLY CA C 13 44.6921 . . 1 . . . . . 57 GLY CA . 53376 1 249 . 1 . 1 57 57 GLY N N 15 109.3984 . . 1 . . . . . 57 GLY N . 53376 1 250 . 1 . 1 58 58 LEU H H 1 7.8325 . . 1 . . . . . 58 LEU H . 53376 1 251 . 1 . 1 58 58 LEU CA C 13 52.6468 . . 1 . . . . . 58 LEU CA . 53376 1 252 . 1 . 1 58 58 LEU CB C 13 41.2828 . . 1 . . . . . 58 LEU CB . 53376 1 253 . 1 . 1 58 58 LEU N N 15 122.4402 . . 1 . . . . . 58 LEU N . 53376 1 254 . 1 . 1 59 59 PRO C C 13 176.5674 . . 1 . . . . . 59 PRO C . 53376 1 255 . 1 . 1 59 59 PRO CA C 13 62.4913 . . 1 . . . . . 59 PRO CA . 53376 1 256 . 1 . 1 59 59 PRO CB C 13 31.6799 . . 1 . . . . . 59 PRO CB . 53376 1 257 . 1 . 1 60 60 VAL H H 1 8.1288 . . 1 . . . . . 60 VAL H . 53376 1 258 . 1 . 1 60 60 VAL C C 13 175.9134 . . 1 . . . . . 60 VAL C . 53376 1 259 . 1 . 1 60 60 VAL CA C 13 62.1891 . . 1 . . . . . 60 VAL CA . 53376 1 260 . 1 . 1 60 60 VAL CB C 13 32.3946 . . 1 . . . . . 60 VAL CB . 53376 1 261 . 1 . 1 60 60 VAL N N 15 120.7150 . . 1 . . . . . 60 VAL N . 53376 1 262 . 1 . 1 61 61 CYS H H 1 8.2359 . . 1 . . . . . 61 CYS H . 53376 1 263 . 1 . 1 61 61 CYS C C 13 174.0454 . . 1 . . . . . 61 CYS C . 53376 1 264 . 1 . 1 61 61 CYS CA C 13 58.0892 . . 1 . . . . . 61 CYS CA . 53376 1 265 . 1 . 1 61 61 CYS CB C 13 27.9934 . . 1 . . . . . 61 CYS CB . 53376 1 266 . 1 . 1 61 61 CYS N N 15 123.4788 . . 1 . . . . . 61 CYS N . 53376 1 267 . 1 . 1 62 62 ALA H H 1 8.2689 . . 1 . . . . . 62 ALA H . 53376 1 268 . 1 . 1 62 62 ALA C C 13 177.0080 . . 1 . . . . . 62 ALA C . 53376 1 269 . 1 . 1 62 62 ALA CA C 13 52.3646 . . 1 . . . . . 62 ALA CA . 53376 1 270 . 1 . 1 62 62 ALA CB C 13 18.8851 . . 1 . . . . . 62 ALA CB . 53376 1 271 . 1 . 1 62 62 ALA N N 15 127.2757 . . 1 . . . . . 62 ALA N . 53376 1 272 . 1 . 1 63 63 PHE H H 1 8.0936 . . 1 . . . . . 63 PHE H . 53376 1 273 . 1 . 1 63 63 PHE C C 13 175.4902 . . 1 . . . . . 63 PHE C . 53376 1 274 . 1 . 1 63 63 PHE CA C 13 57.5704 . . 1 . . . . . 63 PHE CA . 53376 1 275 . 1 . 1 63 63 PHE CB C 13 39.3420 . . 1 . . . . . 63 PHE CB . 53376 1 276 . 1 . 1 63 63 PHE N N 15 119.3000 . . 1 . . . . . 63 PHE N . 53376 1 277 . 1 . 1 64 64 SER H H 1 8.0296 . . 1 . . . . . 64 SER H . 53376 1 278 . 1 . 1 64 64 SER C C 13 174.1551 . . 1 . . . . . 64 SER C . 53376 1 279 . 1 . 1 64 64 SER CA C 13 57.6065 . . 1 . . . . . 64 SER CA . 53376 1 280 . 1 . 1 64 64 SER CB C 13 63.7437 . . 1 . . . . . 64 SER CB . 53376 1 281 . 1 . 1 64 64 SER N N 15 117.3340 . . 1 . . . . . 64 SER N . 53376 1 282 . 1 . 1 65 65 SER H H 1 8.2174 . . 1 . . . . . 65 SER H . 53376 1 283 . 1 . 1 65 65 SER C C 13 173.8206 . . 1 . . . . . 65 SER C . 53376 1 284 . 1 . 1 65 65 SER CA C 13 58.1327 . . 1 . . . . . 65 SER CA . 53376 1 285 . 1 . 1 65 65 SER CB C 13 63.4481 . . 1 . . . . . 65 SER CB . 53376 1 286 . 1 . 1 65 65 SER N N 15 118.2370 . . 1 . . . . . 65 SER N . 53376 1 287 . 1 . 1 66 66 ALA H H 1 8.0912 . . 1 . . . . . 66 ALA H . 53376 1 288 . 1 . 1 66 66 ALA C C 13 177.4483 . . 1 . . . . . 66 ALA C . 53376 1 289 . 1 . 1 66 66 ALA CA C 13 52.1704 . . 1 . . . . . 66 ALA CA . 53376 1 290 . 1 . 1 66 66 ALA CB C 13 19.1854 . . 1 . . . . . 66 ALA CB . 53376 1 291 . 1 . 1 66 66 ALA N N 15 125.4155 . . 1 . . . . . 66 ALA N . 53376 1 292 . 1 . 1 67 67 GLY H H 1 7.9448 . . 1 . . . . . 67 GLY H . 53376 1 293 . 1 . 1 67 67 GLY CA C 13 44.1938 . . 1 . . . . . 67 GLY CA . 53376 1 294 . 1 . 1 67 67 GLY N N 15 107.9498 . . 1 . . . . . 67 GLY N . 53376 1 295 . 1 . 1 68 68 PRO C C 13 176.9248 . . 1 . . . . . 68 PRO C . 53376 1 296 . 1 . 1 68 68 PRO CA C 13 62.9780 . . 1 . . . . . 68 PRO CA . 53376 1 297 . 1 . 1 68 68 PRO CB C 13 31.7796 . . 1 . . . . . 68 PRO CB . 53376 1 298 . 1 . 1 69 69 CYS H H 1 8.3058 . . 1 . . . . . 69 CYS H . 53376 1 299 . 1 . 1 69 69 CYS C C 13 174.4266 . . 1 . . . . . 69 CYS C . 53376 1 300 . 1 . 1 69 69 CYS CA C 13 58.5670 . . 1 . . . . . 69 CYS CA . 53376 1 301 . 1 . 1 69 69 CYS CB C 13 27.7909 . . 1 . . . . . 69 CYS CB . 53376 1 302 . 1 . 1 69 69 CYS N N 15 120.0649 . . 1 . . . . . 69 CYS N . 53376 1 303 . 1 . 1 70 70 ALA H H 1 8.1756 . . 1 . . . . . 70 ALA H . 53376 1 304 . 1 . 1 70 70 ALA C C 13 177.4680 . . 1 . . . . . 70 ALA C . 53376 1 305 . 1 . 1 70 70 ALA CA C 13 52.4712 . . 1 . . . . . 70 ALA CA . 53376 1 306 . 1 . 1 70 70 ALA CB C 13 18.8423 . . 1 . . . . . 70 ALA CB . 53376 1 307 . 1 . 1 70 70 ALA N N 15 126.4715 . . 1 . . . . . 70 ALA N . 53376 1 308 . 1 . 1 71 71 LEU H H 1 8.0379 . . 1 . . . . . 71 LEU H . 53376 1 309 . 1 . 1 71 71 LEU C C 13 177.1141 . . 1 . . . . . 71 LEU C . 53376 1 310 . 1 . 1 71 71 LEU CA C 13 54.9946 . . 1 . . . . . 71 LEU CA . 53376 1 311 . 1 . 1 71 71 LEU CB C 13 41.8718 . . 1 . . . . . 71 LEU CB . 53376 1 312 . 1 . 1 71 71 LEU N N 15 121.1426 . . 1 . . . . . 71 LEU N . 53376 1 313 . 1 . 1 72 72 ARG H H 1 7.9855 . . 1 . . . . . 72 ARG H . 53376 1 314 . 1 . 1 72 72 ARG C C 13 175.6450 . . 1 . . . . . 72 ARG C . 53376 1 315 . 1 . 1 72 72 ARG CA C 13 55.8033 . . 1 . . . . . 72 ARG CA . 53376 1 316 . 1 . 1 72 72 ARG CB C 13 30.4992 . . 1 . . . . . 72 ARG CB . 53376 1 317 . 1 . 1 72 72 ARG N N 15 121.1342 . . 1 . . . . . 72 ARG N . 53376 1 318 . 1 . 1 73 73 PHE H H 1 8.0832 . . 1 . . . . . 73 PHE H . 53376 1 319 . 1 . 1 73 73 PHE C C 13 175.6214 . . 1 . . . . . 73 PHE C . 53376 1 320 . 1 . 1 73 73 PHE CA C 13 57.3130 . . 1 . . . . . 73 PHE CA . 53376 1 321 . 1 . 1 73 73 PHE CB C 13 39.3072 . . 1 . . . . . 73 PHE CB . 53376 1 322 . 1 . 1 73 73 PHE N N 15 120.9153 . . 1 . . . . . 73 PHE N . 53376 1 323 . 1 . 1 74 74 THR H H 1 7.9288 . . 1 . . . . . 74 THR H . 53376 1 324 . 1 . 1 74 74 THR C C 13 173.9694 . . 1 . . . . . 74 THR C . 53376 1 325 . 1 . 1 74 74 THR CA C 13 61.3308 . . 1 . . . . . 74 THR CA . 53376 1 326 . 1 . 1 74 74 THR CB C 13 69.6228 . . 1 . . . . . 74 THR CB . 53376 1 327 . 1 . 1 74 74 THR N N 15 115.6183 . . 1 . . . . . 74 THR N . 53376 1 328 . 1 . 1 75 75 SER H H 1 8.1377 . . 1 . . . . . 75 SER H . 53376 1 329 . 1 . 1 75 75 SER C C 13 173.9808 . . 1 . . . . . 75 SER C . 53376 1 330 . 1 . 1 75 75 SER CA C 13 58.0302 . . 1 . . . . . 75 SER CA . 53376 1 331 . 1 . 1 75 75 SER CB C 13 63.4839 . . 1 . . . . . 75 SER CB . 53376 1 332 . 1 . 1 75 75 SER N N 15 118.0393 . . 1 . . . . . 75 SER N . 53376 1 333 . 1 . 1 76 76 ALA H H 1 8.1693 . . 1 . . . . . 76 ALA H . 53376 1 334 . 1 . 1 76 76 ALA C C 13 177.4031 . . 1 . . . . . 76 ALA C . 53376 1 335 . 1 . 1 76 76 ALA CA C 13 52.3684 . . 1 . . . . . 76 ALA CA . 53376 1 336 . 1 . 1 76 76 ALA CB C 13 18.8284 . . 1 . . . . . 76 ALA CB . 53376 1 337 . 1 . 1 76 76 ALA N N 15 125.8546 . . 1 . . . . . 76 ALA N . 53376 1 338 . 1 . 1 77 77 ARG H H 1 8.0639 . . 1 . . . . . 77 ARG H . 53376 1 339 . 1 . 1 77 77 ARG C C 13 176.0236 . . 1 . . . . . 77 ARG C . 53376 1 340 . 1 . 1 77 77 ARG CA C 13 55.8916 . . 1 . . . . . 77 ARG CA . 53376 1 341 . 1 . 1 77 77 ARG CB C 13 30.3559 . . 1 . . . . . 77 ARG CB . 53376 1 342 . 1 . 1 77 77 ARG N N 15 120.3331 . . 1 . . . . . 77 ARG N . 53376 1 343 . 1 . 1 78 78 ARG H H 1 8.2297 . . 1 . . . . . 78 ARG H . 53376 1 344 . 1 . 1 78 78 ARG C C 13 176.0418 . . 1 . . . . . 78 ARG C . 53376 1 345 . 1 . 1 78 78 ARG CA C 13 55.8878 . . 1 . . . . . 78 ARG CA . 53376 1 346 . 1 . 1 78 78 ARG CB C 13 30.3636 . . 1 . . . . . 78 ARG CB . 53376 1 347 . 1 . 1 78 78 ARG N N 15 122.9094 . . 1 . . . . . 78 ARG N . 53376 1 348 . 1 . 1 79 79 MET H H 1 8.3333 . . 1 . . . . . 79 MET H . 53376 1 349 . 1 . 1 79 79 MET C C 13 175.9828 . . 1 . . . . . 79 MET C . 53376 1 350 . 1 . 1 79 79 MET CA C 13 55.0506 . . 1 . . . . . 79 MET CA . 53376 1 351 . 1 . 1 79 79 MET CB C 13 32.3985 . . 1 . . . . . 79 MET CB . 53376 1 352 . 1 . 1 79 79 MET N N 15 122.3221 . . 1 . . . . . 79 MET N . 53376 1 353 . 1 . 1 80 80 GLU H H 1 8.3737 . . 1 . . . . . 80 GLU H . 53376 1 354 . 1 . 1 80 80 GLU C C 13 176.3051 . . 1 . . . . . 80 GLU C . 53376 1 355 . 1 . 1 80 80 GLU CA C 13 56.2797 . . 1 . . . . . 80 GLU CA . 53376 1 356 . 1 . 1 80 80 GLU CB C 13 29.9516 . . 1 . . . . . 80 GLU CB . 53376 1 357 . 1 . 1 80 80 GLU N N 15 122.4737 . . 1 . . . . . 80 GLU N . 53376 1 358 . 1 . 1 81 81 THR H H 1 8.1225 . . 1 . . . . . 81 THR H . 53376 1 359 . 1 . 1 81 81 THR C C 13 174.3516 . . 1 . . . . . 81 THR C . 53376 1 360 . 1 . 1 81 81 THR CA C 13 61.5949 . . 1 . . . . . 81 THR CA . 53376 1 361 . 1 . 1 81 81 THR CB C 13 69.5718 . . 1 . . . . . 81 THR CB . 53376 1 362 . 1 . 1 81 81 THR N N 15 115.2516 . . 1 . . . . . 81 THR N . 53376 1 363 . 1 . 1 82 82 THR H H 1 8.0385 . . 1 . . . . . 82 THR H . 53376 1 364 . 1 . 1 82 82 THR C C 13 174.2122 . . 1 . . . . . 82 THR C . 53376 1 365 . 1 . 1 82 82 THR CA C 13 61.6039 . . 1 . . . . . 82 THR CA . 53376 1 366 . 1 . 1 82 82 THR CB C 13 69.5746 . . 1 . . . . . 82 THR CB . 53376 1 367 . 1 . 1 82 82 THR N N 15 117.0635 . . 1 . . . . . 82 THR N . 53376 1 368 . 1 . 1 83 83 VAL H H 1 8.0639 . . 1 . . . . . 83 VAL H . 53376 1 369 . 1 . 1 83 83 VAL C C 13 175.5371 . . 1 . . . . . 83 VAL C . 53376 1 370 . 1 . 1 83 83 VAL CA C 13 62.1592 . . 1 . . . . . 83 VAL CA . 53376 1 371 . 1 . 1 83 83 VAL CB C 13 32.4037 . . 1 . . . . . 83 VAL CB . 53376 1 372 . 1 . 1 83 83 VAL N N 15 122.7883 . . 1 . . . . . 83 VAL N . 53376 1 373 . 1 . 1 84 84 ASN H H 1 8.3525 . . 1 . . . . . 84 ASN H . 53376 1 374 . 1 . 1 84 84 ASN HD21 H 1 7.4333 . . 1 . . . . . 84 ASN HD21 . 53376 1 375 . 1 . 1 84 84 ASN HD22 H 1 6.7684 . . 1 . . . . . 84 ASN HD22 . 53376 1 376 . 1 . 1 84 84 ASN C C 13 174.7506 . . 1 . . . . . 84 ASN C . 53376 1 377 . 1 . 1 84 84 ASN CA C 13 52.6485 . . 1 . . . . . 84 ASN CA . 53376 1 378 . 1 . 1 84 84 ASN CB C 13 38.4626 . . 1 . . . . . 84 ASN CB . 53376 1 379 . 1 . 1 84 84 ASN N N 15 122.6347 . . 1 . . . . . 84 ASN N . 53376 1 380 . 1 . 1 84 84 ASN ND2 N 15 113.0599 . . 1 . . . . . 84 ASN ND2 . 53376 1 381 . 1 . 1 85 85 ALA H H 1 8.1381 . . 1 . . . . . 85 ALA H . 53376 1 382 . 1 . 1 85 85 ALA C C 13 177.2481 . . 1 . . . . . 85 ALA C . 53376 1 383 . 1 . 1 85 85 ALA CA C 13 52.6323 . . 1 . . . . . 85 ALA CA . 53376 1 384 . 1 . 1 85 85 ALA CB C 13 18.7319 . . 1 . . . . . 85 ALA CB . 53376 1 385 . 1 . 1 85 85 ALA N N 15 124.5333 . . 1 . . . . . 85 ALA N . 53376 1 386 . 1 . 1 86 86 HIS H H 1 8.0481 . . 1 . . . . . 86 HIS H . 53376 1 387 . 1 . 1 86 86 HIS C C 13 174.9860 . . 1 . . . . . 86 HIS C . 53376 1 388 . 1 . 1 86 86 HIS CA C 13 55.8977 . . 1 . . . . . 86 HIS CA . 53376 1 389 . 1 . 1 86 86 HIS CB C 13 30.2322 . . 1 . . . . . 86 HIS CB . 53376 1 390 . 1 . 1 86 86 HIS N N 15 117.7970 . . 1 . . . . . 86 HIS N . 53376 1 391 . 1 . 1 87 87 GLN H H 1 7.9353 . . 1 . . . . . 87 GLN H . 53376 1 392 . 1 . 1 87 87 GLN HE21 H 1 7.3590 . . 1 . . . . . 87 GLN HE21 . 53376 1 393 . 1 . 1 87 87 GLN HE22 H 1 6.7137 . . 1 . . . . . 87 GLN HE22 . 53376 1 394 . 1 . 1 87 87 GLN C C 13 175.0976 . . 1 . . . . . 87 GLN C . 53376 1 395 . 1 . 1 87 87 GLN CA C 13 55.3184 . . 1 . . . . . 87 GLN CA . 53376 1 396 . 1 . 1 87 87 GLN CB C 13 29.2868 . . 1 . . . . . 87 GLN CB . 53376 1 397 . 1 . 1 87 87 GLN N N 15 121.2427 . . 1 . . . . . 87 GLN N . 53376 1 398 . 1 . 1 87 87 GLN NE2 N 15 112.5598 . . 1 . . . . . 87 GLN NE2 . 53376 1 399 . 1 . 1 88 88 ILE H H 1 8.0754 . . 1 . . . . . 88 ILE H . 53376 1 400 . 1 . 1 88 88 ILE C C 13 175.7342 . . 1 . . . . . 88 ILE C . 53376 1 401 . 1 . 1 88 88 ILE CA C 13 60.6114 . . 1 . . . . . 88 ILE CA . 53376 1 402 . 1 . 1 88 88 ILE CB C 13 38.0992 . . 1 . . . . . 88 ILE CB . 53376 1 403 . 1 . 1 88 88 ILE N N 15 123.0411 . . 1 . . . . . 88 ILE N . 53376 1 404 . 1 . 1 89 89 LEU H H 1 8.2404 . . 1 . . . . . 89 LEU H . 53376 1 405 . 1 . 1 89 89 LEU CA C 13 52.5002 . . 1 . . . . . 89 LEU CA . 53376 1 406 . 1 . 1 89 89 LEU CB C 13 41.2759 . . 1 . . . . . 89 LEU CB . 53376 1 407 . 1 . 1 89 89 LEU N N 15 128.4669 . . 1 . . . . . 89 LEU N . 53376 1 408 . 1 . 1 90 90 PRO C C 13 176.3624 . . 1 . . . . . 90 PRO C . 53376 1 409 . 1 . 1 90 90 PRO CA C 13 62.5335 . . 1 . . . . . 90 PRO CA . 53376 1 410 . 1 . 1 90 90 PRO CB C 13 31.8368 . . 1 . . . . . 90 PRO CB . 53376 1 411 . 1 . 1 91 91 LYS H H 1 8.2177 . . 1 . . . . . 91 LYS H . 53376 1 412 . 1 . 1 91 91 LYS C C 13 176.3737 . . 1 . . . . . 91 LYS C . 53376 1 413 . 1 . 1 91 91 LYS CA C 13 56.1834 . . 1 . . . . . 91 LYS CA . 53376 1 414 . 1 . 1 91 91 LYS CB C 13 32.7408 . . 1 . . . . . 91 LYS CB . 53376 1 415 . 1 . 1 91 91 LYS N N 15 121.9434 . . 1 . . . . . 91 LYS N . 53376 1 416 . 1 . 1 92 92 VAL H H 1 8.0255 . . 1 . . . . . 92 VAL H . 53376 1 417 . 1 . 1 92 92 VAL C C 13 175.4759 . . 1 . . . . . 92 VAL C . 53376 1 418 . 1 . 1 92 92 VAL CA C 13 61.9791 . . 1 . . . . . 92 VAL CA . 53376 1 419 . 1 . 1 92 92 VAL CB C 13 32.3941 . . 1 . . . . . 92 VAL CB . 53376 1 420 . 1 . 1 92 92 VAL N N 15 122.2848 . . 1 . . . . . 92 VAL N . 53376 1 421 . 1 . 1 93 93 LEU H H 1 8.1696 . . 1 . . . . . 93 LEU H . 53376 1 422 . 1 . 1 93 93 LEU C C 13 176.5446 . . 1 . . . . . 93 LEU C . 53376 1 423 . 1 . 1 93 93 LEU CA C 13 54.4768 . . 1 . . . . . 93 LEU CA . 53376 1 424 . 1 . 1 93 93 LEU CB C 13 42.0175 . . 1 . . . . . 93 LEU CB . 53376 1 425 . 1 . 1 93 93 LEU N N 15 126.3624 . . 1 . . . . . 93 LEU N . 53376 1 426 . 1 . 1 94 94 HIS H H 1 8.0819 . . 1 . . . . . 94 HIS H . 53376 1 427 . 1 . 1 94 94 HIS CA C 13 55.9185 . . 1 . . . . . 94 HIS CA . 53376 1 428 . 1 . 1 94 94 HIS CB C 13 30.7462 . . 1 . . . . . 94 HIS CB . 53376 1 429 . 1 . 1 94 94 HIS N N 15 121.2001 . . 1 . . . . . 94 HIS N . 53376 1 430 . 1 . 1 95 95 LYS H H 1 8.1533 . . 1 . . . . . 95 LYS H . 53376 1 431 . 1 . 1 95 95 LYS C C 13 176.4701 . . 1 . . . . . 95 LYS C . 53376 1 432 . 1 . 1 95 95 LYS CA C 13 55.9861 . . 1 . . . . . 95 LYS CA . 53376 1 433 . 1 . 1 95 95 LYS CB C 13 32.7369 . . 1 . . . . . 95 LYS CB . 53376 1 434 . 1 . 1 95 95 LYS N N 15 123.1143 . . 1 . . . . . 95 LYS N . 53376 1 435 . 1 . 1 96 96 ARG H H 1 8.4169 . . 1 . . . . . 96 ARG H . 53376 1 436 . 1 . 1 96 96 ARG C C 13 176.2436 . . 1 . . . . . 96 ARG C . 53376 1 437 . 1 . 1 96 96 ARG CA C 13 56.0024 . . 1 . . . . . 96 ARG CA . 53376 1 438 . 1 . 1 96 96 ARG CB C 13 30.5267 . . 1 . . . . . 96 ARG CB . 53376 1 439 . 1 . 1 96 96 ARG N N 15 122.9031 . . 1 . . . . . 96 ARG N . 53376 1 440 . 1 . 1 97 97 THR H H 1 8.0860 . . 1 . . . . . 97 THR H . 53376 1 441 . 1 . 1 97 97 THR C C 13 174.2614 . . 1 . . . . . 97 THR C . 53376 1 442 . 1 . 1 97 97 THR CA C 13 61.6248 . . 1 . . . . . 97 THR CA . 53376 1 443 . 1 . 1 97 97 THR CB C 13 69.4119 . . 1 . . . . . 97 THR CB . 53376 1 444 . 1 . 1 97 97 THR N N 15 116.2147 . . 1 . . . . . 97 THR N . 53376 1 445 . 1 . 1 98 98 LEU H H 1 8.1481 . . 1 . . . . . 98 LEU H . 53376 1 446 . 1 . 1 98 98 LEU C C 13 177.4641 . . 1 . . . . . 98 LEU C . 53376 1 447 . 1 . 1 98 98 LEU CA C 13 55.0274 . . 1 . . . . . 98 LEU CA . 53376 1 448 . 1 . 1 98 98 LEU CB C 13 42.1130 . . 1 . . . . . 98 LEU CB . 53376 1 449 . 1 . 1 98 98 LEU N N 15 124.9065 . . 1 . . . . . 98 LEU N . 53376 1 450 . 1 . 1 99 99 GLY H H 1 8.2384 . . 1 . . . . . 99 GLY H . 53376 1 451 . 1 . 1 99 99 GLY C C 13 174.1091 . . 1 . . . . . 99 GLY C . 53376 1 452 . 1 . 1 99 99 GLY CA C 13 44.9370 . . 1 . . . . . 99 GLY CA . 53376 1 453 . 1 . 1 99 99 GLY N N 15 109.4962 . . 1 . . . . . 99 GLY N . 53376 1 454 . 1 . 1 100 100 LEU H H 1 7.9355 . . 1 . . . . . 100 LEU H . 53376 1 455 . 1 . 1 100 100 LEU C C 13 177.7803 . . 1 . . . . . 100 LEU C . 53376 1 456 . 1 . 1 100 100 LEU CA C 13 55.2508 . . 1 . . . . . 100 LEU CA . 53376 1 457 . 1 . 1 100 100 LEU CB C 13 41.9553 . . 1 . . . . . 100 LEU CB . 53376 1 458 . 1 . 1 100 100 LEU N N 15 121.3383 . . 1 . . . . . 100 LEU N . 53376 1 459 . 1 . 1 101 101 SER H H 1 8.1467 . . 1 . . . . . 101 SER H . 53376 1 460 . 1 . 1 101 101 SER C C 13 174.0019 . . 1 . . . . . 101 SER C . 53376 1 461 . 1 . 1 101 101 SER CA C 13 58.4762 . . 1 . . . . . 101 SER CA . 53376 1 462 . 1 . 1 101 101 SER CB C 13 63.3006 . . 1 . . . . . 101 SER CB . 53376 1 463 . 1 . 1 101 101 SER N N 15 115.7189 . . 1 . . . . . 101 SER N . 53376 1 464 . 1 . 1 102 102 ALA H H 1 8.0243 . . 1 . . . . . 102 ALA H . 53376 1 465 . 1 . 1 102 102 ALA C C 13 177.3858 . . 1 . . . . . 102 ALA C . 53376 1 466 . 1 . 1 102 102 ALA CA C 13 52.1536 . . 1 . . . . . 102 ALA CA . 53376 1 467 . 1 . 1 102 102 ALA CB C 13 18.9266 . . 1 . . . . . 102 ALA CB . 53376 1 468 . 1 . 1 102 102 ALA N N 15 124.9830 . . 1 . . . . . 102 ALA N . 53376 1 469 . 1 . 1 103 103 MET H H 1 7.9158 . . 1 . . . . . 103 MET H . 53376 1 470 . 1 . 1 103 103 MET C C 13 175.9850 . . 1 . . . . . 103 MET C . 53376 1 471 . 1 . 1 103 103 MET CA C 13 55.4134 . . 1 . . . . . 103 MET CA . 53376 1 472 . 1 . 1 103 103 MET CB C 13 33.2249 . . 1 . . . . . 103 MET CB . 53376 1 473 . 1 . 1 103 103 MET N N 15 119.1045 . . 1 . . . . . 103 MET N . 53376 1 474 . 1 . 1 104 104 SER H H 1 8.5024 . . 1 . . . . . 104 SER H . 53376 1 475 . 1 . 1 104 104 SER C C 13 174.6094 . . 1 . . . . . 104 SER C . 53376 1 476 . 1 . 1 104 104 SER CA C 13 57.4867 . . 1 . . . . . 104 SER CA . 53376 1 477 . 1 . 1 104 104 SER CB C 13 64.0290 . . 1 . . . . . 104 SER CB . 53376 1 478 . 1 . 1 104 104 SER N N 15 117.8583 . . 1 . . . . . 104 SER N . 53376 1 479 . 1 . 1 105 105 THR H H 1 8.3475 . . 1 . . . . . 105 THR H . 53376 1 480 . 1 . 1 105 105 THR C C 13 175.4534 . . 1 . . . . . 105 THR C . 53376 1 481 . 1 . 1 105 105 THR CA C 13 63.4850 . . 1 . . . . . 105 THR CA . 53376 1 482 . 1 . 1 105 105 THR CB C 13 68.9221 . . 1 . . . . . 105 THR CB . 53376 1 483 . 1 . 1 105 105 THR N N 15 115.8344 . . 1 . . . . . 105 THR N . 53376 1 484 . 1 . 1 106 106 THR H H 1 7.8765 . . 1 . . . . . 106 THR H . 53376 1 485 . 1 . 1 106 106 THR C C 13 175.1815 . . 1 . . . . . 106 THR C . 53376 1 486 . 1 . 1 106 106 THR CA C 13 63.3452 . . 1 . . . . . 106 THR CA . 53376 1 487 . 1 . 1 106 106 THR CB C 13 68.9237 . . 1 . . . . . 106 THR CB . 53376 1 488 . 1 . 1 106 106 THR N N 15 115.3754 . . 1 . . . . . 106 THR N . 53376 1 489 . 1 . 1 107 107 ASP H H 1 7.9260 . . 1 . . . . . 107 ASP H . 53376 1 490 . 1 . 1 107 107 ASP C C 13 175.0758 . . 1 . . . . . 107 ASP C . 53376 1 491 . 1 . 1 107 107 ASP CA C 13 55.2738 . . 1 . . . . . 107 ASP CA . 53376 1 492 . 1 . 1 107 107 ASP CB C 13 40.1435 . . 1 . . . . . 107 ASP CB . 53376 1 493 . 1 . 1 107 107 ASP N N 15 123.4407 . . 1 . . . . . 107 ASP N . 53376 1 494 . 1 . 1 108 108 LEU H H 1 8.1538 . . 1 . . . . . 108 LEU H . 53376 1 495 . 1 . 1 108 108 LEU C C 13 177.8125 . . 1 . . . . . 108 LEU C . 53376 1 496 . 1 . 1 108 108 LEU CA C 13 56.4897 . . 1 . . . . . 108 LEU CA . 53376 1 497 . 1 . 1 108 108 LEU CB C 13 41.7715 . . 1 . . . . . 108 LEU CB . 53376 1 498 . 1 . 1 108 108 LEU N N 15 122.9592 . . 1 . . . . . 108 LEU N . 53376 1 499 . 1 . 1 109 109 GLU H H 1 7.9527 . . 1 . . . . . 109 GLU H . 53376 1 500 . 1 . 1 109 109 GLU C C 13 177.6124 . . 1 . . . . . 109 GLU C . 53376 1 501 . 1 . 1 109 109 GLU CA C 13 57.8428 . . 1 . . . . . 109 GLU CA . 53376 1 502 . 1 . 1 109 109 GLU CB C 13 29.3107 . . 1 . . . . . 109 GLU CB . 53376 1 503 . 1 . 1 109 109 GLU N N 15 119.1152 . . 1 . . . . . 109 GLU N . 53376 1 504 . 1 . 1 110 110 ALA H H 1 7.6405 . . 1 . . . . . 110 ALA H . 53376 1 505 . 1 . 1 110 110 ALA C C 13 178.1934 . . 1 . . . . . 110 ALA C . 53376 1 506 . 1 . 1 110 110 ALA CA C 13 53.4697 . . 1 . . . . . 110 ALA CA . 53376 1 507 . 1 . 1 110 110 ALA CB C 13 18.4385 . . 1 . . . . . 110 ALA CB . 53376 1 508 . 1 . 1 110 110 ALA N N 15 121.9944 . . 1 . . . . . 110 ALA N . 53376 1 509 . 1 . 1 111 111 TYR H H 1 7.8113 . . 1 . . . . . 111 TYR H . 53376 1 510 . 1 . 1 111 111 TYR C C 13 176.4217 . . 1 . . . . . 111 TYR C . 53376 1 511 . 1 . 1 111 111 TYR CA C 13 59.2771 . . 1 . . . . . 111 TYR CA . 53376 1 512 . 1 . 1 111 111 TYR CB C 13 38.2390 . . 1 . . . . . 111 TYR CB . 53376 1 513 . 1 . 1 111 111 TYR N N 15 119.1656 . . 1 . . . . . 111 TYR N . 53376 1 514 . 1 . 1 112 112 PHE H H 1 7.8990 . . 1 . . . . . 112 PHE H . 53376 1 515 . 1 . 1 112 112 PHE C C 13 176.2667 . . 1 . . . . . 112 PHE C . 53376 1 516 . 1 . 1 112 112 PHE CA C 13 58.4638 . . 1 . . . . . 112 PHE CA . 53376 1 517 . 1 . 1 112 112 PHE CB C 13 38.7388 . . 1 . . . . . 112 PHE CB . 53376 1 518 . 1 . 1 112 112 PHE N N 15 119.0356 . . 1 . . . . . 112 PHE N . 53376 1 519 . 1 . 1 113 113 LYS H H 1 7.6831 . . 1 . . . . . 113 LYS H . 53376 1 520 . 1 . 1 113 113 LYS C C 13 176.5510 . . 1 . . . . . 113 LYS C . 53376 1 521 . 1 . 1 113 113 LYS CA C 13 57.3796 . . 1 . . . . . 113 LYS CA . 53376 1 522 . 1 . 1 113 113 LYS CB C 13 32.4603 . . 1 . . . . . 113 LYS CB . 53376 1 523 . 1 . 1 113 113 LYS N N 15 121.1173 . . 1 . . . . . 113 LYS N . 53376 1 524 . 1 . 1 114 114 ASP H H 1 7.9804 . . 1 . . . . . 114 ASP H . 53376 1 525 . 1 . 1 114 114 ASP C C 13 176.2379 . . 1 . . . . . 114 ASP C . 53376 1 526 . 1 . 1 114 114 ASP CA C 13 54.6325 . . 1 . . . . . 114 ASP CA . 53376 1 527 . 1 . 1 114 114 ASP CB C 13 40.7285 . . 1 . . . . . 114 ASP CB . 53376 1 528 . 1 . 1 114 114 ASP N N 15 119.7949 . . 1 . . . . . 114 ASP N . 53376 1 529 . 1 . 1 115 115 CYS H H 1 7.8190 . . 1 . . . . . 115 CYS H . 53376 1 530 . 1 . 1 115 115 CYS C C 13 174.4435 . . 1 . . . . . 115 CYS C . 53376 1 531 . 1 . 1 115 115 CYS CA C 13 58.9928 . . 1 . . . . . 115 CYS CA . 53376 1 532 . 1 . 1 115 115 CYS CB C 13 27.5795 . . 1 . . . . . 115 CYS CB . 53376 1 533 . 1 . 1 115 115 CYS N N 15 118.0765 . . 1 . . . . . 115 CYS N . 53376 1 534 . 1 . 1 116 116 LEU H H 1 7.9358 . . 1 . . . . . 116 LEU H . 53376 1 535 . 1 . 1 116 116 LEU C C 13 176.7339 . . 1 . . . . . 116 LEU C . 53376 1 536 . 1 . 1 116 116 LEU CA C 13 55.2290 . . 1 . . . . . 116 LEU CA . 53376 1 537 . 1 . 1 116 116 LEU CB C 13 41.7135 . . 1 . . . . . 116 LEU CB . 53376 1 538 . 1 . 1 116 116 LEU N N 15 123.0176 . . 1 . . . . . 116 LEU N . 53376 1 539 . 1 . 1 117 117 PHE H H 1 7.8616 . . 1 . . . . . 117 PHE H . 53376 1 540 . 1 . 1 117 117 PHE C C 13 175.0213 . . 1 . . . . . 117 PHE C . 53376 1 541 . 1 . 1 117 117 PHE CA C 13 57.3581 . . 1 . . . . . 117 PHE CA . 53376 1 542 . 1 . 1 117 117 PHE CB C 13 38.9954 . . 1 . . . . . 117 PHE CB . 53376 1 543 . 1 . 1 117 117 PHE N N 15 119.9561 . . 1 . . . . . 117 PHE N . 53376 1 544 . 1 . 1 118 118 LYS H H 1 7.7849 . . 1 . . . . . 118 LYS H . 53376 1 545 . 1 . 1 118 118 LYS C C 13 175.0911 . . 1 . . . . . 118 LYS C . 53376 1 546 . 1 . 1 118 118 LYS CA C 13 55.7178 . . 1 . . . . . 118 LYS CA . 53376 1 547 . 1 . 1 118 118 LYS CB C 13 32.8567 . . 1 . . . . . 118 LYS CB . 53376 1 548 . 1 . 1 118 118 LYS N N 15 122.6378 . . 1 . . . . . 118 LYS N . 53376 1 549 . 1 . 1 119 119 ASP H H 1 7.7596 . . 1 . . . . . 119 ASP H . 53376 1 550 . 1 . 1 119 119 ASP C C 13 174.3233 . . 1 . . . . . 119 ASP C . 53376 1 551 . 1 . 1 119 119 ASP CA C 13 53.5805 . . 1 . . . . . 119 ASP CA . 53376 1 552 . 1 . 1 119 119 ASP CB C 13 40.6293 . . 1 . . . . . 119 ASP CB . 53376 1 553 . 1 . 1 119 119 ASP N N 15 121.8445 . . 1 . . . . . 119 ASP N . 53376 1 554 . 1 . 1 120 120 TRP H H 1 7.2488 . . 1 . . . . . 120 TRP H . 53376 1 555 . 1 . 1 120 120 TRP HE1 H 1 9.8737 . . 1 . . . . . 120 TRP HE1 . 53376 1 556 . 1 . 1 120 120 TRP CA C 13 58.1627 . . 1 . . . . . 120 TRP CA . 53376 1 557 . 1 . 1 120 120 TRP CB C 13 29.7317 . . 1 . . . . . 120 TRP CB . 53376 1 558 . 1 . 1 120 120 TRP N N 15 125.4071 . . 1 . . . . . 120 TRP N . 53376 1 559 . 1 . 1 120 120 TRP NE1 N 15 128.8158 . . 1 . . . . . 120 TRP NE1 . 53376 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53376 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name HBx_1_120_190mM_Urea _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-15N HMQC' . . . 53376 2 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 . . 53376 2 2 $software_2 . . 53376 2 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 4 4 ARG H H 1 8.3237 . . 1 . . . . . 4 ARG H . 53376 2 2 . 1 . 1 4 4 ARG N N 15 121.4658 . . 1 . . . . . 4 ARG N . 53376 2 3 . 1 . 1 5 5 LEU H H 1 8.3080 . . 1 . . . . . 5 LEU H . 53376 2 4 . 1 . 1 5 5 LEU N N 15 124.4669 . . 1 . . . . . 5 LEU N . 53376 2 5 . 1 . 1 6 6 CYS H H 1 8.3041 . . 1 . . . . . 6 CYS H . 53376 2 6 . 1 . 1 6 6 CYS N N 15 120.6530 . . 1 . . . . . 6 CYS N . 53376 2 7 . 1 . 1 7 7 CYS H H 1 8.2954 . . 1 . . . . . 7 CYS H . 53376 2 8 . 1 . 1 7 7 CYS N N 15 121.9590 . . 1 . . . . . 7 CYS N . 53376 2 9 . 1 . 1 8 8 GLN H H 1 8.3549 . . 1 . . . . . 8 GLN H . 53376 2 10 . 1 . 1 8 8 GLN HE21 H 1 7.4132 . . 1 . . . . . 8 GLN HE21 . 53376 2 11 . 1 . 1 8 8 GLN HE22 H 1 6.7241 . . 1 . . . . . 8 GLN HE22 . 53376 2 12 . 1 . 1 8 8 GLN N N 15 123.0914 . . 1 . . . . . 8 GLN N . 53376 2 13 . 1 . 1 8 8 GLN NE2 N 15 113.0841 . . 1 . . . . . 8 GLN NE2 . 53376 2 14 . 1 . 1 9 9 LEU H H 1 8.1946 . . 1 . . . . . 9 LEU H . 53376 2 15 . 1 . 1 9 9 LEU N N 15 123.5915 . . 1 . . . . . 9 LEU N . 53376 2 16 . 1 . 1 10 10 ASP H H 1 8.2963 . . 1 . . . . . 10 ASP H . 53376 2 17 . 1 . 1 10 10 ASP N N 15 122.7787 . . 1 . . . . . 10 ASP N . 53376 2 18 . 1 . 1 12 12 ALA H H 1 8.1839 . . 1 . . . . . 12 ALA H . 53376 2 19 . 1 . 1 12 12 ALA N N 15 122.3448 . . 1 . . . . . 12 ALA N . 53376 2 20 . 1 . 1 13 13 ARG H H 1 7.7840 . . 1 . . . . . 13 ARG H . 53376 2 21 . 1 . 1 13 13 ARG N N 15 119.0899 . . 1 . . . . . 13 ARG N . 53376 2 22 . 1 . 1 14 14 ASP H H 1 8.1320 . . 1 . . . . . 14 ASP H . 53376 2 23 . 1 . 1 14 14 ASP N N 15 121.1219 . . 1 . . . . . 14 ASP N . 53376 2 24 . 1 . 1 15 15 VAL H H 1 7.8583 . . 1 . . . . . 15 VAL H . 53376 2 25 . 1 . 1 15 15 VAL N N 15 120.0277 . . 1 . . . . . 15 VAL N . 53376 2 26 . 1 . 1 16 16 LEU H H 1 8.1320 . . 1 . . . . . 16 LEU H . 53376 2 27 . 1 . 1 16 16 LEU N N 15 124.6544 . . 1 . . . . . 16 LEU N . 53376 2 28 . 1 . 1 17 17 CYS H H 1 8.0695 . . 1 . . . . . 17 CYS H . 53376 2 29 . 1 . 1 17 17 CYS N N 15 120.3716 . . 1 . . . . . 17 CYS N . 53376 2 30 . 1 . 1 18 18 LEU H H 1 8.1750 . . 1 . . . . . 18 LEU H . 53376 2 31 . 1 . 1 18 18 LEU N N 15 124.9045 . . 1 . . . . . 18 LEU N . 53376 2 32 . 1 . 1 19 19 ARG H H 1 8.1516 . . 1 . . . . . 19 ARG H . 53376 2 33 . 1 . 1 19 19 ARG N N 15 123.0288 . . 1 . . . . . 19 ARG N . 53376 2 34 . 1 . 1 21 21 VAL H H 1 8.2142 . . 1 . . . . . 21 VAL H . 53376 2 35 . 1 . 1 21 21 VAL N N 15 121.0594 . . 1 . . . . . 21 VAL N . 53376 2 36 . 1 . 1 22 22 GLY H H 1 8.4175 . . 1 . . . . . 22 GLY H . 53376 2 37 . 1 . 1 22 22 GLY N N 15 113.0251 . . 1 . . . . . 22 GLY N . 53376 2 38 . 1 . 1 23 23 ALA H H 1 8.0655 . . 1 . . . . . 23 ALA H . 53376 2 39 . 1 . 1 23 23 ALA N N 15 123.8729 . . 1 . . . . . 23 ALA N . 53376 2 40 . 1 . 1 24 24 GLU H H 1 8.4410 . . 1 . . . . . 24 GLU H . 53376 2 41 . 1 . 1 24 24 GLU N N 15 119.6838 . . 1 . . . . . 24 GLU N . 53376 2 42 . 1 . 1 25 25 SER H H 1 8.2063 . . 1 . . . . . 25 SER H . 53376 2 43 . 1 . 1 25 25 SER N N 15 116.4952 . . 1 . . . . . 25 SER N . 53376 2 44 . 1 . 1 26 26 CYS H H 1 8.2024 . . 1 . . . . . 26 CYS H . 53376 2 45 . 1 . 1 26 26 CYS N N 15 120.7467 . . 1 . . . . . 26 CYS N . 53376 2 46 . 1 . 1 27 27 GLY H H 1 8.2924 . . 1 . . . . . 27 GLY H . 53376 2 47 . 1 . 1 27 27 GLY N N 15 110.8368 . . 1 . . . . . 27 GLY N . 53376 2 48 . 1 . 1 28 28 ARG H H 1 8.0108 . . 1 . . . . . 28 ARG H . 53376 2 49 . 1 . 1 28 28 ARG N N 15 121.5908 . . 1 . . . . . 28 ARG N . 53376 2 50 . 1 . 1 30 30 PHE H H 1 8.3158 . . 1 . . . . . 30 PHE H . 53376 2 51 . 1 . 1 30 30 PHE N N 15 120.9343 . . 1 . . . . . 30 PHE N . 53376 2 52 . 1 . 1 31 31 SER H H 1 8.1242 . . 1 . . . . . 31 SER H . 53376 2 53 . 1 . 1 31 31 SER N N 15 118.4021 . . 1 . . . . . 31 SER N . 53376 2 54 . 1 . 1 32 32 GLY H H 1 7.5297 . . 1 . . . . . 32 GLY H . 53376 2 55 . 1 . 1 32 32 GLY N N 15 110.2741 . . 1 . . . . . 32 GLY N . 53376 2 56 . 1 . 1 33 33 SER H H 1 8.0616 . . 1 . . . . . 33 SER H . 53376 2 57 . 1 . 1 33 33 SER N N 15 115.4948 . . 1 . . . . . 33 SER N . 53376 2 58 . 1 . 1 34 34 LEU H H 1 8.2650 . . 1 . . . . . 34 LEU H . 53376 2 59 . 1 . 1 34 34 LEU N N 15 123.9667 . . 1 . . . . . 34 LEU N . 53376 2 60 . 1 . 1 35 35 GLY H H 1 8.2206 . . 1 . . . . . 35 GLY H . 53376 2 61 . 1 . 1 35 35 GLY N N 15 109.2655 . . 1 . . . . . 35 GLY N . 53376 2 62 . 1 . 1 36 36 THR H H 1 7.8700 . . 1 . . . . . 36 THR H . 53376 2 63 . 1 . 1 36 36 THR N N 15 113.7129 . . 1 . . . . . 36 THR N . 53376 2 64 . 1 . 1 37 37 LEU H H 1 8.1868 . . 1 . . . . . 37 LEU H . 53376 2 65 . 1 . 1 37 37 LEU N N 15 124.3731 . . 1 . . . . . 37 LEU N . 53376 2 66 . 1 . 1 38 38 SER H H 1 8.1320 . . 1 . . . . . 38 SER H . 53376 2 67 . 1 . 1 38 38 SER N N 15 116.5577 . . 1 . . . . . 38 SER N . 53376 2 68 . 1 . 1 39 39 SER H H 1 8.1242 . . 1 . . . . . 39 SER H . 53376 2 69 . 1 . 1 39 39 SER N N 15 118.7460 . . 1 . . . . . 39 SER N . 53376 2 70 . 1 . 1 41 41 SER H H 1 8.3589 . . 1 . . . . . 41 SER H . 53376 2 71 . 1 . 1 41 41 SER N N 15 117.9332 . . 1 . . . . . 41 SER N . 53376 2 72 . 1 . 1 43 43 SER H H 1 8.1750 . . 1 . . . . . 43 SER H . 53376 2 73 . 1 . 1 43 43 SER N N 15 115.7136 . . 1 . . . . . 43 SER N . 53376 2 74 . 1 . 1 44 44 ALA H H 1 8.1477 . . 1 . . . . . 44 ALA H . 53376 2 75 . 1 . 1 44 44 ALA N N 15 126.1550 . . 1 . . . . . 44 ALA N . 53376 2 76 . 1 . 1 45 45 VAL H H 1 8.0108 . . 1 . . . . . 45 VAL H . 53376 2 77 . 1 . 1 45 45 VAL N N 15 121.3094 . . 1 . . . . . 45 VAL N . 53376 2 78 . 1 . 1 47 47 THR H H 1 8.1320 . . 1 . . . . . 47 THR H . 53376 2 79 . 1 . 1 47 47 THR N N 15 114.5882 . . 1 . . . . . 47 THR N . 53376 2 80 . 1 . 1 48 48 ASP H H 1 8.1790 . . 1 . . . . . 48 ASP H . 53376 2 81 . 1 . 1 48 48 ASP N N 15 122.3723 . . 1 . . . . . 48 ASP N . 53376 2 82 . 1 . 1 49 49 HIS H H 1 8.1555 . . 1 . . . . . 49 HIS H . 53376 2 83 . 1 . 1 49 49 HIS N N 15 120.9343 . . 1 . . . . . 49 HIS N . 53376 2 84 . 1 . 1 50 50 GLY H H 1 8.2650 . . 1 . . . . . 50 GLY H . 53376 2 85 . 1 . 1 50 50 GLY N N 15 109.2738 . . 1 . . . . . 50 GLY N . 53376 2 86 . 1 . 1 51 51 ALA H H 1 7.9678 . . 1 . . . . . 51 ALA H . 53376 2 87 . 1 . 1 51 51 ALA N N 15 123.6541 . . 1 . . . . . 51 ALA N . 53376 2 88 . 1 . 1 52 52 HIS H H 1 8.1441 . . 1 . . . . . 52 HIS H . 53376 2 89 . 1 . 1 52 52 HIS N N 15 117.9599 . . 1 . . . . . 52 HIS N . 53376 2 90 . 1 . 1 53 53 LEU H H 1 7.8152 . . 1 . . . . . 53 LEU H . 53376 2 91 . 1 . 1 53 53 LEU N N 15 122.8100 . . 1 . . . . . 53 LEU N . 53376 2 92 . 1 . 1 54 54 SER H H 1 8.1672 . . 1 . . . . . 54 SER H . 53376 2 93 . 1 . 1 54 54 SER N N 15 116.0888 . . 1 . . . . . 54 SER N . 53376 2 94 . 1 . 1 55 55 LEU H H 1 8.1007 . . 1 . . . . . 55 LEU H . 53376 2 95 . 1 . 1 55 55 LEU N N 15 123.6541 . . 1 . . . . . 55 LEU N . 53376 2 96 . 1 . 1 56 56 ARG H H 1 8.0186 . . 1 . . . . . 56 ARG H . 53376 2 97 . 1 . 1 56 56 ARG N N 15 120.4029 . . 1 . . . . . 56 ARG N . 53376 2 98 . 1 . 1 57 57 GLY H H 1 8.1594 . . 1 . . . . . 57 GLY H . 53376 2 99 . 1 . 1 57 57 GLY N N 15 109.2738 . . 1 . . . . . 57 GLY N . 53376 2 100 . 1 . 1 58 58 LEU H H 1 7.8152 . . 1 . . . . . 58 LEU H . 53376 2 101 . 1 . 1 58 58 LEU N N 15 122.4036 . . 1 . . . . . 58 LEU N . 53376 2 102 . 1 . 1 60 60 VAL H H 1 8.1438 . . 1 . . . . . 60 VAL H . 53376 2 103 . 1 . 1 60 60 VAL N N 15 120.6842 . . 1 . . . . . 60 VAL N . 53376 2 104 . 1 . 1 61 61 CYS H H 1 8.2494 . . 1 . . . . . 61 CYS H . 53376 2 105 . 1 . 1 61 61 CYS N N 15 123.4978 . . 1 . . . . . 61 CYS N . 53376 2 106 . 1 . 1 62 62 ALA H H 1 8.2846 . . 1 . . . . . 62 ALA H . 53376 2 107 . 1 . 1 62 62 ALA N N 15 127.2491 . . 1 . . . . . 62 ALA N . 53376 2 108 . 1 . 1 63 63 PHE H H 1 8.1164 . . 1 . . . . . 63 PHE H . 53376 2 109 . 1 . 1 63 63 PHE N N 15 119.2462 . . 1 . . . . . 63 PHE N . 53376 2 110 . 1 . 1 64 64 SER H H 1 8.0303 . . 1 . . . . . 64 SER H . 53376 2 111 . 1 . 1 64 64 SER N N 15 117.2767 . . 1 . . . . . 64 SER N . 53376 2 112 . 1 . 1 65 65 SER H H 1 8.2220 . . 1 . . . . . 65 SER H . 53376 2 113 . 1 . 1 65 65 SER N N 15 118.1833 . . 1 . . . . . 65 SER N . 53376 2 114 . 1 . 1 66 66 ALA H H 1 8.0890 . . 1 . . . . . 66 ALA H . 53376 2 115 . 1 . 1 66 66 ALA N N 15 125.3422 . . 1 . . . . . 66 ALA N . 53376 2 116 . 1 . 1 67 67 GLY H H 1 7.9599 . . 1 . . . . . 67 GLY H . 53376 2 117 . 1 . 1 67 67 GLY N N 15 107.9608 . . 1 . . . . . 67 GLY N . 53376 2 118 . 1 . 1 69 69 CYS H H 1 8.3119 . . 1 . . . . . 69 CYS H . 53376 2 119 . 1 . 1 69 69 CYS N N 15 120.0590 . . 1 . . . . . 69 CYS N . 53376 2 120 . 1 . 1 70 70 ALA H H 1 8.1750 . . 1 . . . . . 70 ALA H . 53376 2 121 . 1 . 1 70 70 ALA N N 15 126.3113 . . 1 . . . . . 70 ALA N . 53376 2 122 . 1 . 1 71 71 LEU H H 1 8.0499 . . 1 . . . . . 71 LEU H . 53376 2 123 . 1 . 1 71 71 LEU N N 15 120.9343 . . 1 . . . . . 71 LEU N . 53376 2 124 . 1 . 1 72 72 ARG H H 1 7.9521 . . 1 . . . . . 72 ARG H . 53376 2 125 . 1 . 1 72 72 ARG N N 15 120.8405 . . 1 . . . . . 72 ARG N . 53376 2 126 . 1 . 1 73 73 PHE H H 1 8.0577 . . 1 . . . . . 73 PHE H . 53376 2 127 . 1 . 1 73 73 PHE N N 15 120.6530 . . 1 . . . . . 73 PHE N . 53376 2 128 . 1 . 1 74 74 THR H H 1 7.9208 . . 1 . . . . . 74 THR H . 53376 2 129 . 1 . 1 74 74 THR N N 15 115.4010 . . 1 . . . . . 74 THR N . 53376 2 130 . 1 . 1 75 75 SER H H 1 8.1380 . . 1 . . . . . 75 SER H . 53376 2 131 . 1 . 1 75 75 SER N N 15 117.9429 . . 1 . . . . . 75 SER N . 53376 2 132 . 1 . 1 76 76 ALA H H 1 8.1594 . . 1 . . . . . 76 ALA H . 53376 2 133 . 1 . 1 76 76 ALA N N 15 125.6861 . . 1 . . . . . 76 ALA N . 53376 2 134 . 1 . 1 77 77 ARG H H 1 8.0421 . . 1 . . . . . 77 ARG H . 53376 2 135 . 1 . 1 77 77 ARG N N 15 120.0902 . . 1 . . . . . 77 ARG N . 53376 2 136 . 1 . 1 78 78 ARG H H 1 8.1946 . . 1 . . . . . 78 ARG H . 53376 2 137 . 1 . 1 78 78 ARG N N 15 122.6224 . . 1 . . . . . 78 ARG N . 53376 2 138 . 1 . 1 79 79 MET H H 1 8.3080 . . 1 . . . . . 79 MET H . 53376 2 139 . 1 . 1 79 79 MET N N 15 122.0285 . . 1 . . . . . 79 MET N . 53376 2 140 . 1 . 1 80 80 GLU H H 1 8.3549 . . 1 . . . . . 80 GLU H . 53376 2 141 . 1 . 1 80 80 GLU N N 15 122.2786 . . 1 . . . . . 80 GLU N . 53376 2 142 . 1 . 1 81 81 THR H H 1 8.1203 . . 1 . . . . . 81 THR H . 53376 2 143 . 1 . 1 81 81 THR N N 15 115.1197 . . 1 . . . . . 81 THR N . 53376 2 144 . 1 . 1 82 82 THR H H 1 8.0382 . . 1 . . . . . 82 THR H . 53376 2 145 . 1 . 1 82 82 THR N N 15 117.0579 . . 1 . . . . . 82 THR N . 53376 2 146 . 1 . 1 83 83 VAL H H 1 8.0734 . . 1 . . . . . 83 VAL H . 53376 2 147 . 1 . 1 83 83 VAL N N 15 122.8100 . . 1 . . . . . 83 VAL N . 53376 2 148 . 1 . 1 84 84 ASN H H 1 8.3549 . . 1 . . . . . 84 ASN H . 53376 2 149 . 1 . 1 84 84 ASN HD21 H 1 7.4493 . . 1 . . . . . 84 ASN HD21 . 53376 2 150 . 1 . 1 84 84 ASN HD22 H 1 6.7710 . . 1 . . . . . 84 ASN HD22 . 53376 2 151 . 1 . 1 84 84 ASN N N 15 122.4974 . . 1 . . . . . 84 ASN N . 53376 2 152 . 1 . 1 84 84 ASN ND2 N 15 113.1440 . . 1 . . . . . 84 ASN ND2 . 53376 2 153 . 1 . 1 85 85 ALA H H 1 8.1477 . . 1 . . . . . 85 ALA H . 53376 2 154 . 1 . 1 85 85 ALA N N 15 124.4669 . . 1 . . . . . 85 ALA N . 53376 2 155 . 1 . 1 86 86 HIS H H 1 8.0499 . . 1 . . . . . 86 HIS H . 53376 2 156 . 1 . 1 86 86 HIS N N 15 117.6518 . . 1 . . . . . 86 HIS N . 53376 2 157 . 1 . 1 87 87 GLN H H 1 7.9130 . . 1 . . . . . 87 GLN H . 53376 2 158 . 1 . 1 87 87 GLN HE21 H 1 7.3748 . . 1 . . . . . 87 GLN HE21 . 53376 2 159 . 1 . 1 87 87 GLN HE22 H 1 6.7202 . . 1 . . . . . 87 GLN HE22 . 53376 2 160 . 1 . 1 87 87 GLN N N 15 121.1844 . . 1 . . . . . 87 GLN N . 53376 2 161 . 1 . 1 87 87 GLN NE2 N 15 112.6825 . . 1 . . . . . 87 GLN NE2 . 53376 2 162 . 1 . 1 88 88 ILE H H 1 8.0850 . . 1 . . . . . 88 ILE H . 53376 2 163 . 1 . 1 88 88 ILE N N 15 122.8726 . . 1 . . . . . 88 ILE N . 53376 2 164 . 1 . 1 89 89 LEU H H 1 8.2376 . . 1 . . . . . 89 LEU H . 53376 2 165 . 1 . 1 89 89 LEU N N 15 128.3433 . . 1 . . . . . 89 LEU N . 53376 2 166 . 1 . 1 91 91 LYS H H 1 8.2220 . . 1 . . . . . 91 LYS H . 53376 2 167 . 1 . 1 91 91 LYS N N 15 121.7158 . . 1 . . . . . 91 LYS N . 53376 2 168 . 1 . 1 92 92 VAL H H 1 8.0030 . . 1 . . . . . 92 VAL H . 53376 2 169 . 1 . 1 92 92 VAL N N 15 122.0597 . . 1 . . . . . 92 VAL N . 53376 2 170 . 1 . 1 93 93 LEU H H 1 8.1649 . . 1 . . . . . 93 LEU H . 53376 2 171 . 1 . 1 93 93 LEU N N 15 126.2373 . . 1 . . . . . 93 LEU N . 53376 2 172 . 1 . 1 94 94 HIS H H 1 8.0616 . . 1 . . . . . 94 HIS H . 53376 2 173 . 1 . 1 94 94 HIS N N 15 120.9656 . . 1 . . . . . 94 HIS N . 53376 2 174 . 1 . 1 95 95 LYS H H 1 8.1281 . . 1 . . . . . 95 LYS H . 53376 2 175 . 1 . 1 95 95 LYS N N 15 122.7475 . . 1 . . . . . 95 LYS N . 53376 2 176 . 1 . 1 96 96 ARG H H 1 8.4097 . . 1 . . . . . 96 ARG H . 53376 2 177 . 1 . 1 96 96 ARG N N 15 122.5912 . . 1 . . . . . 96 ARG N . 53376 2 178 . 1 . 1 97 97 THR H H 1 8.0460 . . 1 . . . . . 97 THR H . 53376 2 179 . 1 . 1 97 97 THR N N 15 115.9325 . . 1 . . . . . 97 THR N . 53376 2 180 . 1 . 1 98 98 LEU H H 1 8.1412 . . 1 . . . . . 98 LEU H . 53376 2 181 . 1 . 1 98 98 LEU N N 15 124.5335 . . 1 . . . . . 98 LEU N . 53376 2 182 . 1 . 1 99 99 GLY H H 1 8.2337 . . 1 . . . . . 99 GLY H . 53376 2 183 . 1 . 1 99 99 GLY N N 15 109.2738 . . 1 . . . . . 99 GLY N . 53376 2 184 . 1 . 1 100 100 LEU H H 1 7.9287 . . 1 . . . . . 100 LEU H . 53376 2 185 . 1 . 1 100 100 LEU N N 15 121.3720 . . 1 . . . . . 100 LEU N . 53376 2 186 . 1 . 1 101 101 SER H H 1 8.1281 . . 1 . . . . . 101 SER H . 53376 2 187 . 1 . 1 101 101 SER N N 15 115.4010 . . 1 . . . . . 101 SER N . 53376 2 188 . 1 . 1 102 102 ALA H H 1 7.9834 . . 1 . . . . . 102 ALA H . 53376 2 189 . 1 . 1 102 102 ALA N N 15 124.7170 . . 1 . . . . . 102 ALA N . 53376 2 190 . 1 . 1 103 103 MET H H 1 7.9247 . . 1 . . . . . 103 MET H . 53376 2 191 . 1 . 1 103 103 MET N N 15 118.8710 . . 1 . . . . . 103 MET N . 53376 2 192 . 1 . 1 104 104 SER H H 1 8.5740 . . 1 . . . . . 104 SER H . 53376 2 193 . 1 . 1 104 104 SER N N 15 117.9957 . . 1 . . . . . 104 SER N . 53376 2 194 . 1 . 1 105 105 THR H H 1 8.4019 . . 1 . . . . . 105 THR H . 53376 2 195 . 1 . 1 105 105 THR N N 15 115.8074 . . 1 . . . . . 105 THR N . 53376 2 196 . 1 . 1 106 106 THR H H 1 7.8700 . . 1 . . . . . 106 THR H . 53376 2 197 . 1 . 1 106 106 THR N N 15 115.2760 . . 1 . . . . . 106 THR N . 53376 2 198 . 1 . 1 107 107 ASP H H 1 7.8856 . . 1 . . . . . 107 ASP H . 53376 2 199 . 1 . 1 107 107 ASP N N 15 123.5915 . . 1 . . . . . 107 ASP N . 53376 2 200 . 1 . 1 108 108 LEU H H 1 8.2024 . . 1 . . . . . 108 LEU H . 53376 2 201 . 1 . 1 108 108 LEU N N 15 123.0601 . . 1 . . . . . 108 LEU N . 53376 2 202 . 1 . 1 109 109 GLU H H 1 7.9247 . . 1 . . . . . 109 GLU H . 53376 2 203 . 1 . 1 109 109 GLU N N 15 118.5897 . . 1 . . . . . 109 GLU N . 53376 2 204 . 1 . 1 110 110 ALA H H 1 7.6001 . . 1 . . . . . 110 ALA H . 53376 2 205 . 1 . 1 110 110 ALA N N 15 121.6533 . . 1 . . . . . 110 ALA N . 53376 2 206 . 1 . 1 111 111 TYR H H 1 7.8309 . . 1 . . . . . 111 TYR H . 53376 2 207 . 1 . 1 111 111 TYR N N 15 119.3400 . . 1 . . . . . 111 TYR N . 53376 2 208 . 1 . 1 112 112 PHE H H 1 7.8544 . . 1 . . . . . 112 PHE H . 53376 2 209 . 1 . 1 112 112 PHE N N 15 119.0899 . . 1 . . . . . 112 PHE N . 53376 2 210 . 1 . 1 113 113 LYS H H 1 7.6471 . . 1 . . . . . 113 LYS H . 53376 2 211 . 1 . 1 113 113 LYS N N 15 120.8093 . . 1 . . . . . 113 LYS N . 53376 2 212 . 1 . 1 114 114 ASP H H 1 7.9678 . . 1 . . . . . 114 ASP H . 53376 2 213 . 1 . 1 114 114 ASP N N 15 119.5275 . . 1 . . . . . 114 ASP N . 53376 2 214 . 1 . 1 115 115 CYS H H 1 7.7800 . . 1 . . . . . 115 CYS H . 53376 2 215 . 1 . 1 115 115 CYS N N 15 117.8707 . . 1 . . . . . 115 CYS N . 53376 2 216 . 1 . 1 116 116 LEU H H 1 7.9169 . . 1 . . . . . 116 LEU H . 53376 2 217 . 1 . 1 116 116 LEU N N 15 122.7787 . . 1 . . . . . 116 LEU N . 53376 2 218 . 1 . 1 117 117 PHE H H 1 7.8387 . . 1 . . . . . 117 PHE H . 53376 2 219 . 1 . 1 117 117 PHE N N 15 119.7151 . . 1 . . . . . 117 PHE N . 53376 2 220 . 1 . 1 118 118 LYS H H 1 7.7566 . . 1 . . . . . 118 LYS H . 53376 2 221 . 1 . 1 118 118 LYS N N 15 122.4036 . . 1 . . . . . 118 LYS N . 53376 2 222 . 1 . 1 119 119 ASP H H 1 7.7331 . . 1 . . . . . 119 ASP H . 53376 2 223 . 1 . 1 119 119 ASP N N 15 121.7158 . . 1 . . . . . 119 ASP N . 53376 2 224 . 1 . 1 120 120 TRP H H 1 7.2403 . . 1 . . . . . 120 TRP H . 53376 2 225 . 1 . 1 120 120 TRP HE1 H 1 9.8750 . . 1 . . . . . 120 TRP HE1 . 53376 2 226 . 1 . 1 120 120 TRP N N 15 125.4360 . . 1 . . . . . 120 TRP N . 53376 2 227 . 1 . 1 120 120 TRP NE1 N 15 128.8365 . . 1 . . . . . 120 TRP NE1 . 53376 2 stop_ save_