data_6976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6976 _Entry.Title ; Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-09 _Entry.Accession_date 2006-02-09 _Entry.Last_release_date 2006-04-06 _Entry.Original_release_date 2006-04-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 P. Rossi . . . 6976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 6976 '15N chemical shifts' 80 6976 '1H chemical shifts' 513 6976 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 . . 2006-04-06 2006-02-09 original author . 6976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391. ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Rossi . . . 6976 1 2 T. Acton . B. . 6976 1 3 K. Cunningham . L. . 6976 1 4 L. Ma . C. . 6976 1 5 K. Shetty . . . 6976 1 6 G. Swapna . V.T. . 6976 1 7 R. Xiao . . . 6976 1 8 G. Montelione . T. . 6976 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AutoStructure 6976 1 NESG 6976 1 'NMR Structure' 6976 1 'Northeast Structural Genomics' 6976 1 'Northeast Structural Genomics Consortium' 6976 1 'Protein Structure Initiative' 6976 1 PSI 6976 1 SR391 6976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SR391 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SR391 _Assembly.Entry_ID 6976 _Assembly.ID 1 _Assembly.Name 'Hypothetical UPF0346 protein yozE' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6976 1 stop_ 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 'Hypothetical UPF0346 protein yozE' 1 $SR391 . . . native . . . . . 6976 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2FJ6 . . . . . . 6976 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical UPF0346 protein yozE' system 6976 1 SR391 abbreviation 6976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SR391 _Entity.Sf_category entity _Entity.Sf_framecode SR391 _Entity.Entry_ID 6976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical UPF0346 protein yozE' _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 ; MKSFYHYLLKYRHPKPKDSI SEFANQAYEDHSFPKTSTDY HEISSYLELNADYLHTMATF DEAWDQYESEVHGRLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FJ6 . "Solution Nmr Structure Of The Upf0346 Protein Yoze From Bacillus Subtilis. Northeast Structural Genomics Target Sr391" . . . . . 100.00 82 100.00 100.00 1.82e-51 . . . . 6976 1 2 no DBJ BAI85645 . "hypothetical protein BSNT_08540 [Bacillus subtilis subsp. natto BEST195]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 3 no DBJ BAM52635 . "hypothetical protein BEST7613_3704 [Bacillus subtilis BEST7613]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 4 no DBJ BAM58210 . "hypothetical protein BEST7003_2009 [Bacillus subtilis BEST7003]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 5 no DBJ GAK79322 . "hypothetical protein BSMD_012300 [Bacillus subtilis Miyagi-4]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 6 no EMBL CAB13859 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 7 no EMBL CCU58650 . "hypothetical protein BSUBE1_2019 [Bacillus subtilis E1]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 8 no EMBL CEI57174 . "hypothetical protein BS49_21830 [Bacillus subtilis]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 9 no EMBL CEJ77599 . "hypothetical protein BS34A_21830 [Bacillus sp.]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 10 no GB ADV92877 . "hypothetical protein BSn5_01215 [Bacillus subtilis BSn5]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 11 no GB AEP86996 . "conserved domain protein [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 90.24 74 97.30 98.65 6.02e-45 . . . . 6976 1 12 no GB AEP91168 . "conserved domain protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 13 no GB AFI28688 . "hypothetical protein MY9_2155 [Bacillus sp. JS]" . . . . . 90.24 74 98.65 100.00 1.10e-45 . . . . 6976 1 14 no GB AFQ57911 . "YozE [Bacillus subtilis QB928]" . . . . . 90.24 104 100.00 100.00 4.54e-46 . . . . 6976 1 15 no REF NP_389849 . "hypothetical protein BSU19680 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 16 no REF WP_003231160 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 17 no REF WP_003241575 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 90.24 74 98.65 100.00 1.10e-45 . . . . 6976 1 18 no REF WP_010331315 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 90.24 74 97.30 100.00 3.20e-45 . . . . 6976 1 19 no REF WP_014114115 . "hypothetical protein [Bacillus subtilis]" . . . . . 90.24 74 97.30 98.65 6.02e-45 . . . . 6976 1 20 no SP O31864 . "RecName: Full=UPF0346 protein YozE [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.24 74 100.00 100.00 4.67e-46 . . . . 6976 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical UPF0346 protein yozE' common 6976 1 SR391 abbreviation 6976 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 . 6976 1 2 . LYS . 6976 1 3 . SER . 6976 1 4 . PHE . 6976 1 5 . TYR . 6976 1 6 . HIS . 6976 1 7 . TYR . 6976 1 8 . LEU . 6976 1 9 . LEU . 6976 1 10 . LYS . 6976 1 11 . TYR . 6976 1 12 . ARG . 6976 1 13 . HIS . 6976 1 14 . PRO . 6976 1 15 . LYS . 6976 1 16 . PRO . 6976 1 17 . LYS . 6976 1 18 . ASP . 6976 1 19 . SER . 6976 1 20 . ILE . 6976 1 21 . SER . 6976 1 22 . GLU . 6976 1 23 . PHE . 6976 1 24 . ALA . 6976 1 25 . ASN . 6976 1 26 . GLN . 6976 1 27 . ALA . 6976 1 28 . TYR . 6976 1 29 . GLU . 6976 1 30 . ASP . 6976 1 31 . HIS . 6976 1 32 . SER . 6976 1 33 . PHE . 6976 1 34 . PRO . 6976 1 35 . LYS . 6976 1 36 . THR . 6976 1 37 . SER . 6976 1 38 . THR . 6976 1 39 . ASP . 6976 1 40 . TYR . 6976 1 41 . HIS . 6976 1 42 . GLU . 6976 1 43 . ILE . 6976 1 44 . SER . 6976 1 45 . SER . 6976 1 46 . TYR . 6976 1 47 . LEU . 6976 1 48 . GLU . 6976 1 49 . LEU . 6976 1 50 . ASN . 6976 1 51 . ALA . 6976 1 52 . ASP . 6976 1 53 . TYR . 6976 1 54 . LEU . 6976 1 55 . HIS . 6976 1 56 . THR . 6976 1 57 . MET . 6976 1 58 . ALA . 6976 1 59 . THR . 6976 1 60 . PHE . 6976 1 61 . ASP . 6976 1 62 . GLU . 6976 1 63 . ALA . 6976 1 64 . TRP . 6976 1 65 . ASP . 6976 1 66 . GLN . 6976 1 67 . TYR . 6976 1 68 . GLU . 6976 1 69 . SER . 6976 1 70 . GLU . 6976 1 71 . VAL . 6976 1 72 . HIS . 6976 1 73 . GLY . 6976 1 74 . ARG . 6976 1 75 . LEU . 6976 1 76 . GLU . 6976 1 77 . HIS . 6976 1 78 . HIS . 6976 1 79 . HIS . 6976 1 80 . HIS . 6976 1 81 . HIS . 6976 1 82 . HIS . 6976 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 6976 1 . LYS 2 2 6976 1 . SER 3 3 6976 1 . PHE 4 4 6976 1 . TYR 5 5 6976 1 . HIS 6 6 6976 1 . TYR 7 7 6976 1 . LEU 8 8 6976 1 . LEU 9 9 6976 1 . LYS 10 10 6976 1 . TYR 11 11 6976 1 . ARG 12 12 6976 1 . HIS 13 13 6976 1 . PRO 14 14 6976 1 . LYS 15 15 6976 1 . PRO 16 16 6976 1 . LYS 17 17 6976 1 . ASP 18 18 6976 1 . SER 19 19 6976 1 . ILE 20 20 6976 1 . SER 21 21 6976 1 . GLU 22 22 6976 1 . PHE 23 23 6976 1 . ALA 24 24 6976 1 . ASN 25 25 6976 1 . GLN 26 26 6976 1 . ALA 27 27 6976 1 . TYR 28 28 6976 1 . GLU 29 29 6976 1 . ASP 30 30 6976 1 . HIS 31 31 6976 1 . SER 32 32 6976 1 . PHE 33 33 6976 1 . PRO 34 34 6976 1 . LYS 35 35 6976 1 . THR 36 36 6976 1 . SER 37 37 6976 1 . THR 38 38 6976 1 . ASP 39 39 6976 1 . TYR 40 40 6976 1 . HIS 41 41 6976 1 . GLU 42 42 6976 1 . ILE 43 43 6976 1 . SER 44 44 6976 1 . SER 45 45 6976 1 . TYR 46 46 6976 1 . LEU 47 47 6976 1 . GLU 48 48 6976 1 . LEU 49 49 6976 1 . ASN 50 50 6976 1 . ALA 51 51 6976 1 . ASP 52 52 6976 1 . TYR 53 53 6976 1 . LEU 54 54 6976 1 . HIS 55 55 6976 1 . THR 56 56 6976 1 . MET 57 57 6976 1 . ALA 58 58 6976 1 . THR 59 59 6976 1 . PHE 60 60 6976 1 . ASP 61 61 6976 1 . GLU 62 62 6976 1 . ALA 63 63 6976 1 . TRP 64 64 6976 1 . ASP 65 65 6976 1 . GLN 66 66 6976 1 . TYR 67 67 6976 1 . GLU 68 68 6976 1 . SER 69 69 6976 1 . GLU 70 70 6976 1 . VAL 71 71 6976 1 . HIS 72 72 6976 1 . GLY 73 73 6976 1 . ARG 74 74 6976 1 . LEU 75 75 6976 1 . GLU 76 76 6976 1 . HIS 77 77 6976 1 . HIS 78 78 6976 1 . HIS 79 79 6976 1 . HIS 80 80 6976 1 . HIS 81 81 6976 1 . HIS 82 82 6976 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6976 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SR391 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6976 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6976 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SR391 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6976 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical UPF0346 protein yozE' '[U-13C; U-15N]' . . 1 $SR391 . . 1.5 . . mM . . . . 6976 1 2 CaCl2 . . . . . . . 5 . . mM . . . . 6976 1 3 NaCl . . . . . . . 100 . . mM . . . . 6976 1 4 NH4OAc . . . . . . . 20 . . mM . . . . 6976 1 5 DTT . . . . . . . 10 . . mM . . . . 6976 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 6976 1 7 D2O . . . . . . . 5 . . % . . . . 6976 1 8 H2O . . . . . . . 95 . . % . . . . 6976 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6976 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical UPF0346 protein yozE' '[U-5% 13C; U-15N]' . . 1 $SR391 . . 1.35 . . mM . . . . 6976 2 2 CaCl2 . . . . . . . 5 . . mM . . . . 6976 2 3 NaCl . . . . . . . 100 . . mM . . . . 6976 2 4 NH4OAc . . . . . . . 20 . . mM . . . . 6976 2 5 DTT . . . . . . . 10 . . mM . . . . 6976 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 6976 2 7 D2O . . . . . . . 5 . . % . . . . 6976 2 8 H2O . . . . . . . 95 . . % . . . . 6976 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6976 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 6976 1 pH 5.5 . pH 6976 1 pressure 1 . atm 6976 1 temperature 293 . K 6976 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6976 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6976 1 stop_ save_ save_xplor-nih _Software.Sf_category software _Software.Sf_framecode xplor-nih _Software.Entry_ID 6976 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.0.6 _Software.Details 'Clore et. al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6976 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6976 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.5 _Software.Details 'Delaglio et. al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6976 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6976 _Software.ID 4 _Software.Name SPARKY _Software.Version 2.11 _Software.Details 'Goddard, Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6976 4 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 6976 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6976 5 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 6976 _Software.ID 6 _Software.Name AutoAssign _Software.Version 1.17 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6976 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6976 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 6976 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6976 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 3 HNCA-J . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 4 'HiRes-CH HSQC for stereospec. VL Methyl assign.' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 5 HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 6 HNcoCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 7 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 8 HNCA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 9 'CccoNH tocsy' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 10 HCCH-COSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 11 'HAcacoNH single transfer' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6976 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6976 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6976 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6976 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6976 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.113 . . 1 . . . . . . . . 6976 1 2 . 1 1 1 1 MET HB2 H 1 2.171 . . 2 . . . . . . . . 6976 1 3 . 1 1 1 1 MET HB3 H 1 2.085 . . 2 . . . . . . . . 6976 1 4 . 1 1 1 1 MET HG2 H 1 2.638 . . 2 . . . . . . . . 6976 1 5 . 1 1 1 1 MET HG3 H 1 2.471 . . 2 . . . . . . . . 6976 1 6 . 1 1 1 1 MET HE1 H 1 2.038 . . 1 . . . . . . . . 6976 1 7 . 1 1 1 1 MET HE2 H 1 2.038 . . 1 . . . . . . . . 6976 1 8 . 1 1 1 1 MET HE3 H 1 2.038 . . 1 . . . . . . . . 6976 1 9 . 1 1 1 1 MET C C 13 172.021 . . 1 . . . . . . . . 6976 1 10 . 1 1 1 1 MET CA C 13 54.872 . . 1 . . . . . . . . 6976 1 11 . 1 1 1 1 MET CB C 13 33.162 . . 1 . . . . . . . . 6976 1 12 . 1 1 1 1 MET CG C 13 30.702 . . 1 . . . . . . . . 6976 1 13 . 1 1 1 1 MET CE C 13 16.684 . . 1 . . . . . . . . 6976 1 14 . 1 1 2 2 LYS H H 1 8.583 . . 1 . . . . . . . . 6976 1 15 . 1 1 2 2 LYS HA H 1 4.533 . . 1 . . . . . . . . 6976 1 16 . 1 1 2 2 LYS HB2 H 1 1.938 . . 2 . . . . . . . . 6976 1 17 . 1 1 2 2 LYS HB3 H 1 1.939 . . 2 . . . . . . . . 6976 1 18 . 1 1 2 2 LYS HG2 H 1 1.819 . . 2 . . . . . . . . 6976 1 19 . 1 1 2 2 LYS HG3 H 1 1.674 . . 2 . . . . . . . . 6976 1 20 . 1 1 2 2 LYS HD2 H 1 1.729 . . 2 . . . . . . . . 6976 1 21 . 1 1 2 2 LYS HD3 H 1 1.687 . . 2 . . . . . . . . 6976 1 22 . 1 1 2 2 LYS HE2 H 1 3.010 . . 2 . . . . . . . . 6976 1 23 . 1 1 2 2 LYS HE3 H 1 2.992 . . 2 . . . . . . . . 6976 1 24 . 1 1 2 2 LYS C C 13 176.035 . . 1 . . . . . . . . 6976 1 25 . 1 1 2 2 LYS CA C 13 56.642 . . 1 . . . . . . . . 6976 1 26 . 1 1 2 2 LYS CB C 13 33.500 . . 1 . . . . . . . . 6976 1 27 . 1 1 2 2 LYS CG C 13 24.682 . . 1 . . . . . . . . 6976 1 28 . 1 1 2 2 LYS CD C 13 29.427 . . 1 . . . . . . . . 6976 1 29 . 1 1 2 2 LYS CE C 13 41.641 . . 1 . . . . . . . . 6976 1 30 . 1 1 2 2 LYS N N 15 125.036 . . 1 . . . . . . . . 6976 1 31 . 1 1 3 3 SER H H 1 9.375 . . 1 . . . . . . . . 6976 1 32 . 1 1 3 3 SER HA H 1 4.363 . . 1 . . . . . . . . 6976 1 33 . 1 1 3 3 SER HB2 H 1 4.123 . . 1 . . . . . . . . 6976 1 34 . 1 1 3 3 SER HB3 H 1 4.123 . . 1 . . . . . . . . 6976 1 35 . 1 1 3 3 SER C C 13 173.351 . . 1 . . . . . . . . 6976 1 36 . 1 1 3 3 SER CA C 13 57.532 . . 1 . . . . . . . . 6976 1 37 . 1 1 3 3 SER CB C 13 65.216 . . 1 . . . . . . . . 6976 1 38 . 1 1 3 3 SER N N 15 121.930 . . 1 . . . . . . . . 6976 1 39 . 1 1 4 4 PHE H H 1 7.478 . . 1 . . . . . . . . 6976 1 40 . 1 1 4 4 PHE HA H 1 3.404 . . 1 . . . . . . . . 6976 1 41 . 1 1 4 4 PHE HB2 H 1 3.189 . . 2 . . . . . . . . 6976 1 42 . 1 1 4 4 PHE HB3 H 1 2.701 . . 2 . . . . . . . . 6976 1 43 . 1 1 4 4 PHE HD1 H 1 6.951 . . 2 . . . . . . . . 6976 1 44 . 1 1 4 4 PHE HD2 H 1 6.957 . . 2 . . . . . . . . 6976 1 45 . 1 1 4 4 PHE HE1 H 1 7.466 . . 1 . . . . . . . . 6976 1 46 . 1 1 4 4 PHE HE2 H 1 7.466 . . 1 . . . . . . . . 6976 1 47 . 1 1 4 4 PHE HZ H 1 7.642 . . 1 . . . . . . . . 6976 1 48 . 1 1 4 4 PHE C C 13 175.986 . . 1 . . . . . . . . 6976 1 49 . 1 1 4 4 PHE CA C 13 61.234 . . 1 . . . . . . . . 6976 1 50 . 1 1 4 4 PHE CB C 13 39.075 . . 1 . . . . . . . . 6976 1 51 . 1 1 4 4 PHE CD1 C 13 132.822 . . 2 . . . . . . . . 6976 1 52 . 1 1 4 4 PHE CD2 C 13 132.834 . . 2 . . . . . . . . 6976 1 53 . 1 1 4 4 PHE CE1 C 13 130.493 . . 1 . . . . . . . . 6976 1 54 . 1 1 4 4 PHE CE2 C 13 130.493 . . 1 . . . . . . . . 6976 1 55 . 1 1 4 4 PHE CZ C 13 129.211 . . 1 . . . . . . . . 6976 1 56 . 1 1 4 4 PHE N N 15 121.884 . . 1 . . . . . . . . 6976 1 57 . 1 1 5 5 TYR H H 1 9.626 . . 1 . . . . . . . . 6976 1 58 . 1 1 5 5 TYR HA H 1 3.539 . . 1 . . . . . . . . 6976 1 59 . 1 1 5 5 TYR HB2 H 1 3.143 . . 2 . . . . . . . . 6976 1 60 . 1 1 5 5 TYR HB3 H 1 3.008 . . 2 . . . . . . . . 6976 1 61 . 1 1 5 5 TYR HD1 H 1 6.183 . . 1 . . . . . . . . 6976 1 62 . 1 1 5 5 TYR HD2 H 1 6.183 . . 1 . . . . . . . . 6976 1 63 . 1 1 5 5 TYR HE1 H 1 6.342 . . 1 . . . . . . . . 6976 1 64 . 1 1 5 5 TYR HE2 H 1 6.342 . . 1 . . . . . . . . 6976 1 65 . 1 1 5 5 TYR C C 13 176.178 . . 1 . . . . . . . . 6976 1 66 . 1 1 5 5 TYR CA C 13 61.562 . . 1 . . . . . . . . 6976 1 67 . 1 1 5 5 TYR CB C 13 39.014 . . 1 . . . . . . . . 6976 1 68 . 1 1 5 5 TYR CD1 C 13 132.792 . . 1 . . . . . . . . 6976 1 69 . 1 1 5 5 TYR CD2 C 13 132.792 . . 1 . . . . . . . . 6976 1 70 . 1 1 5 5 TYR CE1 C 13 118.113 . . 1 . . . . . . . . 6976 1 71 . 1 1 5 5 TYR CE2 C 13 118.113 . . 1 . . . . . . . . 6976 1 72 . 1 1 5 5 TYR N N 15 119.264 . . 1 . . . . . . . . 6976 1 73 . 1 1 6 6 HIS H H 1 7.899 . . 1 . . . . . . . . 6976 1 74 . 1 1 6 6 HIS HA H 1 4.024 . . 1 . . . . . . . . 6976 1 75 . 1 1 6 6 HIS HB2 H 1 3.229 . . 1 . . . . . . . . 6976 1 76 . 1 1 6 6 HIS HB3 H 1 3.229 . . 1 . . . . . . . . 6976 1 77 . 1 1 6 6 HIS C C 13 178.313 . . 1 . . . . . . . . 6976 1 78 . 1 1 6 6 HIS CA C 13 59.937 . . 1 . . . . . . . . 6976 1 79 . 1 1 6 6 HIS CB C 13 29.857 . . 1 . . . . . . . . 6976 1 80 . 1 1 6 6 HIS N N 15 116.348 . . 1 . . . . . . . . 6976 1 81 . 1 1 7 7 TYR H H 1 8.243 . . 1 . . . . . . . . 6976 1 82 . 1 1 7 7 TYR HA H 1 4.140 . . 1 . . . . . . . . 6976 1 83 . 1 1 7 7 TYR HB2 H 1 3.400 . . 2 . . . . . . . . 6976 1 84 . 1 1 7 7 TYR HB3 H 1 3.038 . . 2 . . . . . . . . 6976 1 85 . 1 1 7 7 TYR HD1 H 1 6.972 . . 1 . . . . . . . . 6976 1 86 . 1 1 7 7 TYR HD2 H 1 6.972 . . 1 . . . . . . . . 6976 1 87 . 1 1 7 7 TYR HE1 H 1 6.862 . . 1 . . . . . . . . 6976 1 88 . 1 1 7 7 TYR HE2 H 1 6.862 . . 1 . . . . . . . . 6976 1 89 . 1 1 7 7 TYR C C 13 175.890 . . 1 . . . . . . . . 6976 1 90 . 1 1 7 7 TYR CA C 13 61.045 . . 1 . . . . . . . . 6976 1 91 . 1 1 7 7 TYR CB C 13 38.999 . . 1 . . . . . . . . 6976 1 92 . 1 1 7 7 TYR CD1 C 13 133.654 . . 1 . . . . . . . . 6976 1 93 . 1 1 7 7 TYR CD2 C 13 133.654 . . 1 . . . . . . . . 6976 1 94 . 1 1 7 7 TYR CE1 C 13 118.205 . . 1 . . . . . . . . 6976 1 95 . 1 1 7 7 TYR CE2 C 13 118.205 . . 1 . . . . . . . . 6976 1 96 . 1 1 7 7 TYR N N 15 121.734 . . 1 . . . . . . . . 6976 1 97 . 1 1 8 8 LEU H H 1 8.033 . . 1 . . . . . . . . 6976 1 98 . 1 1 8 8 LEU HA H 1 3.583 . . 1 . . . . . . . . 6976 1 99 . 1 1 8 8 LEU HB2 H 1 1.256 . . 2 . . . . . . . . 6976 1 100 . 1 1 8 8 LEU HB3 H 1 1.155 . . 2 . . . . . . . . 6976 1 101 . 1 1 8 8 LEU HG H 1 1.222 . . 1 . . . . . . . . 6976 1 102 . 1 1 8 8 LEU HD11 H 1 0.497 . . 1 . . . . . . . . 6976 1 103 . 1 1 8 8 LEU HD12 H 1 0.497 . . 1 . . . . . . . . 6976 1 104 . 1 1 8 8 LEU HD13 H 1 0.497 . . 1 . . . . . . . . 6976 1 105 . 1 1 8 8 LEU HD21 H 1 0.340 . . 1 . . . . . . . . 6976 1 106 . 1 1 8 8 LEU HD22 H 1 0.340 . . 1 . . . . . . . . 6976 1 107 . 1 1 8 8 LEU HD23 H 1 0.340 . . 1 . . . . . . . . 6976 1 108 . 1 1 8 8 LEU C C 13 177.361 . . 1 . . . . . . . . 6976 1 109 . 1 1 8 8 LEU CA C 13 56.407 . . 1 . . . . . . . . 6976 1 110 . 1 1 8 8 LEU CB C 13 41.997 . . 1 . . . . . . . . 6976 1 111 . 1 1 8 8 LEU CG C 13 25.860 . . 1 . . . . . . . . 6976 1 112 . 1 1 8 8 LEU CD1 C 13 24.244 . . 1 . . . . . . . . 6976 1 113 . 1 1 8 8 LEU CD2 C 13 23.863 . . 1 . . . . . . . . 6976 1 114 . 1 1 8 8 LEU N N 15 118.671 . . 1 . . . . . . . . 6976 1 115 . 1 1 9 9 LEU H H 1 7.190 . . 1 . . . . . . . . 6976 1 116 . 1 1 9 9 LEU HA H 1 3.462 . . 1 . . . . . . . . 6976 1 117 . 1 1 9 9 LEU HB2 H 1 1.578 . . 2 . . . . . . . . 6976 1 118 . 1 1 9 9 LEU HB3 H 1 1.307 . . 2 . . . . . . . . 6976 1 119 . 1 1 9 9 LEU HG H 1 1.373 . . 1 . . . . . . . . 6976 1 120 . 1 1 9 9 LEU HD11 H 1 0.633 . . 1 . . . . . . . . 6976 1 121 . 1 1 9 9 LEU HD12 H 1 0.633 . . 1 . . . . . . . . 6976 1 122 . 1 1 9 9 LEU HD13 H 1 0.633 . . 1 . . . . . . . . 6976 1 123 . 1 1 9 9 LEU HD21 H 1 0.548 . . 1 . . . . . . . . 6976 1 124 . 1 1 9 9 LEU HD22 H 1 0.548 . . 1 . . . . . . . . 6976 1 125 . 1 1 9 9 LEU HD23 H 1 0.548 . . 1 . . . . . . . . 6976 1 126 . 1 1 9 9 LEU C C 13 179.080 . . 1 . . . . . . . . 6976 1 127 . 1 1 9 9 LEU CA C 13 57.396 . . 1 . . . . . . . . 6976 1 128 . 1 1 9 9 LEU CB C 13 41.219 . . 1 . . . . . . . . 6976 1 129 . 1 1 9 9 LEU CG C 13 26.062 . . 1 . . . . . . . . 6976 1 130 . 1 1 9 9 LEU CD1 C 13 24.550 . . 1 . . . . . . . . 6976 1 131 . 1 1 9 9 LEU CD2 C 13 23.186 . . 1 . . . . . . . . 6976 1 132 . 1 1 9 9 LEU N N 15 115.830 . . 1 . . . . . . . . 6976 1 133 . 1 1 10 10 LYS H H 1 7.091 . . 1 . . . . . . . . 6976 1 134 . 1 1 10 10 LYS HA H 1 3.875 . . 1 . . . . . . . . 6976 1 135 . 1 1 10 10 LYS HB2 H 1 1.519 . . 2 . . . . . . . . 6976 1 136 . 1 1 10 10 LYS HB3 H 1 1.236 . . 2 . . . . . . . . 6976 1 137 . 1 1 10 10 LYS HG2 H 1 0.778 . . 2 . . . . . . . . 6976 1 138 . 1 1 10 10 LYS HG3 H 1 0.263 . . 2 . . . . . . . . 6976 1 139 . 1 1 10 10 LYS HD2 H 1 1.189 . . 2 . . . . . . . . 6976 1 140 . 1 1 10 10 LYS HD3 H 1 1.191 . . 2 . . . . . . . . 6976 1 141 . 1 1 10 10 LYS HE2 H 1 2.536 . . 2 . . . . . . . . 6976 1 142 . 1 1 10 10 LYS HE3 H 1 2.484 . . 2 . . . . . . . . 6976 1 143 . 1 1 10 10 LYS C C 13 176.828 . . 1 . . . . . . . . 6976 1 144 . 1 1 10 10 LYS CA C 13 58.148 . . 1 . . . . . . . . 6976 1 145 . 1 1 10 10 LYS CB C 13 31.316 . . 1 . . . . . . . . 6976 1 146 . 1 1 10 10 LYS CG C 13 23.033 . . 1 . . . . . . . . 6976 1 147 . 1 1 10 10 LYS CD C 13 29.336 . . 1 . . . . . . . . 6976 1 148 . 1 1 10 10 LYS CE C 13 41.683 . . 1 . . . . . . . . 6976 1 149 . 1 1 10 10 LYS N N 15 117.055 . . 1 . . . . . . . . 6976 1 150 . 1 1 11 11 TYR H H 1 7.813 . . 1 . . . . . . . . 6976 1 151 . 1 1 11 11 TYR HA H 1 4.335 . . 1 . . . . . . . . 6976 1 152 . 1 1 11 11 TYR HB2 H 1 3.191 . . 2 . . . . . . . . 6976 1 153 . 1 1 11 11 TYR HB3 H 1 2.526 . . 2 . . . . . . . . 6976 1 154 . 1 1 11 11 TYR HD1 H 1 7.035 . . 1 . . . . . . . . 6976 1 155 . 1 1 11 11 TYR HD2 H 1 7.035 . . 1 . . . . . . . . 6976 1 156 . 1 1 11 11 TYR HE1 H 1 6.520 . . 1 . . . . . . . . 6976 1 157 . 1 1 11 11 TYR HE2 H 1 6.520 . . 1 . . . . . . . . 6976 1 158 . 1 1 11 11 TYR C C 13 174.816 . . 1 . . . . . . . . 6976 1 159 . 1 1 11 11 TYR CA C 13 58.128 . . 1 . . . . . . . . 6976 1 160 . 1 1 11 11 TYR CB C 13 38.505 . . 1 . . . . . . . . 6976 1 161 . 1 1 11 11 TYR CD1 C 13 133.364 . . 1 . . . . . . . . 6976 1 162 . 1 1 11 11 TYR CD2 C 13 133.364 . . 1 . . . . . . . . 6976 1 163 . 1 1 11 11 TYR CE1 C 13 118.019 . . 1 . . . . . . . . 6976 1 164 . 1 1 11 11 TYR CE2 C 13 118.019 . . 1 . . . . . . . . 6976 1 165 . 1 1 11 11 TYR N N 15 117.267 . . 1 . . . . . . . . 6976 1 166 . 1 1 12 12 ARG H H 1 6.973 . . 1 . . . . . . . . 6976 1 167 . 1 1 12 12 ARG HA H 1 4.042 . . 1 . . . . . . . . 6976 1 168 . 1 1 12 12 ARG HB2 H 1 1.581 . . 2 . . . . . . . . 6976 1 169 . 1 1 12 12 ARG HB3 H 1 1.374 . . 2 . . . . . . . . 6976 1 170 . 1 1 12 12 ARG HG2 H 1 1.443 . . 2 . . . . . . . . 6976 1 171 . 1 1 12 12 ARG HG3 H 1 1.239 . . 2 . . . . . . . . 6976 1 172 . 1 1 12 12 ARG HD2 H 1 2.515 . . 2 . . . . . . . . 6976 1 173 . 1 1 12 12 ARG HD3 H 1 2.409 . . 2 . . . . . . . . 6976 1 174 . 1 1 12 12 ARG HE H 1 6.644 . . 1 . . . . . . . . 6976 1 175 . 1 1 12 12 ARG C C 13 176.178 . . 1 . . . . . . . . 6976 1 176 . 1 1 12 12 ARG CA C 13 57.369 . . 1 . . . . . . . . 6976 1 177 . 1 1 12 12 ARG CB C 13 30.489 . . 1 . . . . . . . . 6976 1 178 . 1 1 12 12 ARG CG C 13 27.284 . . 1 . . . . . . . . 6976 1 179 . 1 1 12 12 ARG CD C 13 43.382 . . 1 . . . . . . . . 6976 1 180 . 1 1 12 12 ARG N N 15 119.758 . . 1 . . . . . . . . 6976 1 181 . 1 1 12 12 ARG NE N 15 83.845 . . 1 . . . . . . . . 6976 1 182 . 1 1 13 13 HIS H H 1 8.192 . . 1 . . . . . . . . 6976 1 183 . 1 1 13 13 HIS HA H 1 4.679 . . 1 . . . . . . . . 6976 1 184 . 1 1 13 13 HIS HB2 H 1 2.974 . . 2 . . . . . . . . 6976 1 185 . 1 1 13 13 HIS HB3 H 1 3.012 . . 2 . . . . . . . . 6976 1 186 . 1 1 13 13 HIS CA C 13 55.068 . . 1 . . . . . . . . 6976 1 187 . 1 1 13 13 HIS CB C 13 32.763 . . 1 . . . . . . . . 6976 1 188 . 1 1 13 13 HIS N N 15 123.165 . . 1 . . . . . . . . 6976 1 189 . 1 1 14 14 PRO HA H 1 4.375 . . 1 . . . . . . . . 6976 1 190 . 1 1 14 14 PRO HB2 H 1 2.283 . . 2 . . . . . . . . 6976 1 191 . 1 1 14 14 PRO HB3 H 1 1.878 . . 2 . . . . . . . . 6976 1 192 . 1 1 14 14 PRO HG2 H 1 1.866 . . 2 . . . . . . . . 6976 1 193 . 1 1 14 14 PRO HG3 H 1 1.869 . . 2 . . . . . . . . 6976 1 194 . 1 1 14 14 PRO HD2 H 1 3.500 . . 2 . . . . . . . . 6976 1 195 . 1 1 14 14 PRO HD3 H 1 2.999 . . 2 . . . . . . . . 6976 1 196 . 1 1 14 14 PRO C C 13 176.820 . . 1 . . . . . . . . 6976 1 197 . 1 1 14 14 PRO CA C 13 63.980 . . 1 . . . . . . . . 6976 1 198 . 1 1 14 14 PRO CB C 13 32.178 . . 1 . . . . . . . . 6976 1 199 . 1 1 14 14 PRO CG C 13 27.289 . . 1 . . . . . . . . 6976 1 200 . 1 1 14 14 PRO CD C 13 50.673 . . 1 . . . . . . . . 6976 1 201 . 1 1 15 15 LYS H H 1 9.752 . . 1 . . . . . . . . 6976 1 202 . 1 1 15 15 LYS CA C 13 54.151 . . 1 . . . . . . . . 6976 1 203 . 1 1 15 15 LYS N N 15 120.874 . . 1 . . . . . . . . 6976 1 204 . 1 1 16 16 PRO HA H 1 4.216 . . 1 . . . . . . . . 6976 1 205 . 1 1 16 16 PRO HB2 H 1 2.131 . . 2 . . . . . . . . 6976 1 206 . 1 1 16 16 PRO HB3 H 1 1.990 . . 2 . . . . . . . . 6976 1 207 . 1 1 16 16 PRO HG2 H 1 2.166 . . 2 . . . . . . . . 6976 1 208 . 1 1 16 16 PRO HG3 H 1 1.999 . . 2 . . . . . . . . 6976 1 209 . 1 1 16 16 PRO HD2 H 1 3.722 . . 2 . . . . . . . . 6976 1 210 . 1 1 16 16 PRO HD3 H 1 3.626 . . 2 . . . . . . . . 6976 1 211 . 1 1 16 16 PRO C C 13 178.209 . . 1 . . . . . . . . 6976 1 212 . 1 1 16 16 PRO CA C 13 63.342 . . 1 . . . . . . . . 6976 1 213 . 1 1 16 16 PRO CB C 13 33.014 . . 1 . . . . . . . . 6976 1 214 . 1 1 16 16 PRO CG C 13 27.630 . . 1 . . . . . . . . 6976 1 215 . 1 1 16 16 PRO CD C 13 50.171 . . 1 . . . . . . . . 6976 1 216 . 1 1 17 17 LYS H H 1 8.912 . . 1 . . . . . . . . 6976 1 217 . 1 1 17 17 LYS HA H 1 4.460 . . 1 . . . . . . . . 6976 1 218 . 1 1 17 17 LYS HB2 H 1 1.937 . . 2 . . . . . . . . 6976 1 219 . 1 1 17 17 LYS HB3 H 1 1.737 . . 2 . . . . . . . . 6976 1 220 . 1 1 17 17 LYS HG2 H 1 1.406 . . 2 . . . . . . . . 6976 1 221 . 1 1 17 17 LYS HG3 H 1 1.416 . . 2 . . . . . . . . 6976 1 222 . 1 1 17 17 LYS HD2 H 1 1.623 . . 2 . . . . . . . . 6976 1 223 . 1 1 17 17 LYS HD3 H 1 1.629 . . 2 . . . . . . . . 6976 1 224 . 1 1 17 17 LYS HE2 H 1 2.967 . . 2 . . . . . . . . 6976 1 225 . 1 1 17 17 LYS HE3 H 1 2.962 . . 2 . . . . . . . . 6976 1 226 . 1 1 17 17 LYS C C 13 175.265 . . 1 . . . . . . . . 6976 1 227 . 1 1 17 17 LYS CA C 13 55.568 . . 1 . . . . . . . . 6976 1 228 . 1 1 17 17 LYS CB C 13 33.471 . . 1 . . . . . . . . 6976 1 229 . 1 1 17 17 LYS CG C 13 24.202 . . 1 . . . . . . . . 6976 1 230 . 1 1 17 17 LYS CD C 13 28.789 . . 1 . . . . . . . . 6976 1 231 . 1 1 17 17 LYS CE C 13 42.105 . . 1 . . . . . . . . 6976 1 232 . 1 1 17 17 LYS N N 15 120.448 . . 1 . . . . . . . . 6976 1 233 . 1 1 18 18 ASP H H 1 7.587 . . 1 . . . . . . . . 6976 1 234 . 1 1 18 18 ASP HA H 1 4.827 . . 1 . . . . . . . . 6976 1 235 . 1 1 18 18 ASP HB2 H 1 3.053 . . 2 . . . . . . . . 6976 1 236 . 1 1 18 18 ASP HB3 H 1 2.853 . . 2 . . . . . . . . 6976 1 237 . 1 1 18 18 ASP C C 13 176.209 . . 1 . . . . . . . . 6976 1 238 . 1 1 18 18 ASP CA C 13 52.614 . . 1 . . . . . . . . 6976 1 239 . 1 1 18 18 ASP CB C 13 43.212 . . 1 . . . . . . . . 6976 1 240 . 1 1 18 18 ASP N N 15 116.508 . . 1 . . . . . . . . 6976 1 241 . 1 1 19 19 SER H H 1 8.756 . . 1 . . . . . . . . 6976 1 242 . 1 1 19 19 SER HA H 1 4.353 . . 1 . . . . . . . . 6976 1 243 . 1 1 19 19 SER HB2 H 1 4.074 . . 2 . . . . . . . . 6976 1 244 . 1 1 19 19 SER HB3 H 1 4.011 . . 2 . . . . . . . . 6976 1 245 . 1 1 19 19 SER C C 13 177.348 . . 1 . . . . . . . . 6976 1 246 . 1 1 19 19 SER CA C 13 61.790 . . 1 . . . . . . . . 6976 1 247 . 1 1 19 19 SER CB C 13 62.793 . . 1 . . . . . . . . 6976 1 248 . 1 1 19 19 SER N N 15 115.890 . . 1 . . . . . . . . 6976 1 249 . 1 1 20 20 ILE H H 1 8.530 . . 1 . . . . . . . . 6976 1 250 . 1 1 20 20 ILE HA H 1 3.889 . . 1 . . . . . . . . 6976 1 251 . 1 1 20 20 ILE HB H 1 1.759 . . 1 . . . . . . . . 6976 1 252 . 1 1 20 20 ILE HG12 H 1 1.429 . . 2 . . . . . . . . 6976 1 253 . 1 1 20 20 ILE HG13 H 1 0.793 . . 2 . . . . . . . . 6976 1 254 . 1 1 20 20 ILE HG21 H 1 0.509 . . 1 . . . . . . . . 6976 1 255 . 1 1 20 20 ILE HG22 H 1 0.509 . . 1 . . . . . . . . 6976 1 256 . 1 1 20 20 ILE HG23 H 1 0.509 . . 1 . . . . . . . . 6976 1 257 . 1 1 20 20 ILE HD11 H 1 0.608 . . 1 . . . . . . . . 6976 1 258 . 1 1 20 20 ILE HD12 H 1 0.608 . . 1 . . . . . . . . 6976 1 259 . 1 1 20 20 ILE HD13 H 1 0.608 . . 1 . . . . . . . . 6976 1 260 . 1 1 20 20 ILE C C 13 176.794 . . 1 . . . . . . . . 6976 1 261 . 1 1 20 20 ILE CA C 13 65.387 . . 1 . . . . . . . . 6976 1 262 . 1 1 20 20 ILE CB C 13 36.890 . . 1 . . . . . . . . 6976 1 263 . 1 1 20 20 ILE CG1 C 13 29.897 . . 1 . . . . . . . . 6976 1 264 . 1 1 20 20 ILE CG2 C 13 16.778 . . 1 . . . . . . . . 6976 1 265 . 1 1 20 20 ILE CD1 C 13 13.330 . . 1 . . . . . . . . 6976 1 266 . 1 1 20 20 ILE N N 15 124.351 . . 1 . . . . . . . . 6976 1 267 . 1 1 21 21 SER H H 1 8.111 . . 1 . . . . . . . . 6976 1 268 . 1 1 21 21 SER HA H 1 4.425 . . 1 . . . . . . . . 6976 1 269 . 1 1 21 21 SER HB2 H 1 4.038 . . 2 . . . . . . . . 6976 1 270 . 1 1 21 21 SER HB3 H 1 4.034 . . 2 . . . . . . . . 6976 1 271 . 1 1 21 21 SER C C 13 176.485 . . 1 . . . . . . . . 6976 1 272 . 1 1 21 21 SER CA C 13 61.923 . . 1 . . . . . . . . 6976 1 273 . 1 1 21 21 SER CB C 13 63.387 . . 1 . . . . . . . . 6976 1 274 . 1 1 21 21 SER N N 15 117.901 . . 1 . . . . . . . . 6976 1 275 . 1 1 22 22 GLU H H 1 7.741 . . 1 . . . . . . . . 6976 1 276 . 1 1 22 22 GLU HA H 1 4.032 . . 1 . . . . . . . . 6976 1 277 . 1 1 22 22 GLU HB2 H 1 2.260 . . 2 . . . . . . . . 6976 1 278 . 1 1 22 22 GLU HB3 H 1 2.245 . . 2 . . . . . . . . 6976 1 279 . 1 1 22 22 GLU HG2 H 1 2.488 . . 2 . . . . . . . . 6976 1 280 . 1 1 22 22 GLU HG3 H 1 2.260 . . 2 . . . . . . . . 6976 1 281 . 1 1 22 22 GLU C C 13 179.135 . . 1 . . . . . . . . 6976 1 282 . 1 1 22 22 GLU CA C 13 60.233 . . 1 . . . . . . . . 6976 1 283 . 1 1 22 22 GLU CB C 13 29.722 . . 1 . . . . . . . . 6976 1 284 . 1 1 22 22 GLU CG C 13 36.358 . . 1 . . . . . . . . 6976 1 285 . 1 1 22 22 GLU N N 15 120.624 . . 1 . . . . . . . . 6976 1 286 . 1 1 23 23 PHE H H 1 8.368 . . 1 . . . . . . . . 6976 1 287 . 1 1 23 23 PHE HA H 1 4.745 . . 1 . . . . . . . . 6976 1 288 . 1 1 23 23 PHE HB2 H 1 3.536 . . 2 . . . . . . . . 6976 1 289 . 1 1 23 23 PHE HB3 H 1 3.347 . . 2 . . . . . . . . 6976 1 290 . 1 1 23 23 PHE HD1 H 1 7.420 . . 1 . . . . . . . . 6976 1 291 . 1 1 23 23 PHE HD2 H 1 7.420 . . 1 . . . . . . . . 6976 1 292 . 1 1 23 23 PHE HE1 H 1 7.621 . . 1 . . . . . . . . 6976 1 293 . 1 1 23 23 PHE HE2 H 1 7.621 . . 1 . . . . . . . . 6976 1 294 . 1 1 23 23 PHE HZ H 1 7.483 . . 1 . . . . . . . . 6976 1 295 . 1 1 23 23 PHE C C 13 176.249 . . 1 . . . . . . . . 6976 1 296 . 1 1 23 23 PHE CA C 13 59.640 . . 1 . . . . . . . . 6976 1 297 . 1 1 23 23 PHE CB C 13 39.453 . . 1 . . . . . . . . 6976 1 298 . 1 1 23 23 PHE CD1 C 13 132.112 . . 1 . . . . . . . . 6976 1 299 . 1 1 23 23 PHE CD2 C 13 132.112 . . 1 . . . . . . . . 6976 1 300 . 1 1 23 23 PHE CE1 C 13 130.444 . . 1 . . . . . . . . 6976 1 301 . 1 1 23 23 PHE CE2 C 13 130.444 . . 1 . . . . . . . . 6976 1 302 . 1 1 23 23 PHE CZ C 13 128.353 . . 1 . . . . . . . . 6976 1 303 . 1 1 23 23 PHE N N 15 121.512 . . 1 . . . . . . . . 6976 1 304 . 1 1 24 24 ALA H H 1 8.716 . . 1 . . . . . . . . 6976 1 305 . 1 1 24 24 ALA HA H 1 3.552 . . 1 . . . . . . . . 6976 1 306 . 1 1 24 24 ALA HB1 H 1 1.299 . . 1 . . . . . . . . 6976 1 307 . 1 1 24 24 ALA HB2 H 1 1.299 . . 1 . . . . . . . . 6976 1 308 . 1 1 24 24 ALA HB3 H 1 1.299 . . 1 . . . . . . . . 6976 1 309 . 1 1 24 24 ALA C C 13 179.008 . . 1 . . . . . . . . 6976 1 310 . 1 1 24 24 ALA CA C 13 55.285 . . 1 . . . . . . . . 6976 1 311 . 1 1 24 24 ALA CB C 13 19.350 . . 1 . . . . . . . . 6976 1 312 . 1 1 24 24 ALA N N 15 122.129 . . 1 . . . . . . . . 6976 1 313 . 1 1 25 25 ASN H H 1 8.117 . . 1 . . . . . . . . 6976 1 314 . 1 1 25 25 ASN HA H 1 4.230 . . 1 . . . . . . . . 6976 1 315 . 1 1 25 25 ASN HB2 H 1 3.056 . . 2 . . . . . . . . 6976 1 316 . 1 1 25 25 ASN HB3 H 1 2.838 . . 2 . . . . . . . . 6976 1 317 . 1 1 25 25 ASN HD21 H 1 7.656 . . 1 . . . . . . . . 6976 1 318 . 1 1 25 25 ASN HD22 H 1 7.476 . . 1 . . . . . . . . 6976 1 319 . 1 1 25 25 ASN C C 13 177.678 . . 1 . . . . . . . . 6976 1 320 . 1 1 25 25 ASN CA C 13 55.772 . . 1 . . . . . . . . 6976 1 321 . 1 1 25 25 ASN CB C 13 37.466 . . 1 . . . . . . . . 6976 1 322 . 1 1 25 25 ASN N N 15 115.705 . . 1 . . . . . . . . 6976 1 323 . 1 1 25 25 ASN ND2 N 15 109.162 . . 1 . . . . . . . . 6976 1 324 . 1 1 26 26 GLN H H 1 8.007 . . 1 . . . . . . . . 6976 1 325 . 1 1 26 26 GLN HA H 1 3.906 . . 1 . . . . . . . . 6976 1 326 . 1 1 26 26 GLN HB2 H 1 2.179 . . 2 . . . . . . . . 6976 1 327 . 1 1 26 26 GLN HB3 H 1 2.165 . . 2 . . . . . . . . 6976 1 328 . 1 1 26 26 GLN HG2 H 1 2.373 . . 2 . . . . . . . . 6976 1 329 . 1 1 26 26 GLN HG3 H 1 2.261 . . 2 . . . . . . . . 6976 1 330 . 1 1 26 26 GLN HE21 H 1 6.743 . . 1 . . . . . . . . 6976 1 331 . 1 1 26 26 GLN HE22 H 1 5.602 . . 1 . . . . . . . . 6976 1 332 . 1 1 26 26 GLN C C 13 178.941 . . 1 . . . . . . . . 6976 1 333 . 1 1 26 26 GLN CA C 13 59.365 . . 1 . . . . . . . . 6976 1 334 . 1 1 26 26 GLN CB C 13 28.250 . . 1 . . . . . . . . 6976 1 335 . 1 1 26 26 GLN CG C 13 33.260 . . 1 . . . . . . . . 6976 1 336 . 1 1 26 26 GLN N N 15 121.240 . . 1 . . . . . . . . 6976 1 337 . 1 1 26 26 GLN NE2 N 15 107.728 . . 1 . . . . . . . . 6976 1 338 . 1 1 27 27 ALA H H 1 8.700 . . 1 . . . . . . . . 6976 1 339 . 1 1 27 27 ALA HA H 1 4.088 . . 1 . . . . . . . . 6976 1 340 . 1 1 27 27 ALA HB1 H 1 0.428 . . 1 . . . . . . . . 6976 1 341 . 1 1 27 27 ALA HB2 H 1 0.428 . . 1 . . . . . . . . 6976 1 342 . 1 1 27 27 ALA HB3 H 1 0.428 . . 1 . . . . . . . . 6976 1 343 . 1 1 27 27 ALA C C 13 179.373 . . 1 . . . . . . . . 6976 1 344 . 1 1 27 27 ALA CA C 13 55.111 . . 1 . . . . . . . . 6976 1 345 . 1 1 27 27 ALA CB C 13 17.261 . . 1 . . . . . . . . 6976 1 346 . 1 1 27 27 ALA N N 15 122.503 . . 1 . . . . . . . . 6976 1 347 . 1 1 28 28 TYR H H 1 7.876 . . 1 . . . . . . . . 6976 1 348 . 1 1 28 28 TYR HA H 1 4.243 . . 1 . . . . . . . . 6976 1 349 . 1 1 28 28 TYR HB2 H 1 2.969 . . 2 . . . . . . . . 6976 1 350 . 1 1 28 28 TYR HB3 H 1 2.986 . . 2 . . . . . . . . 6976 1 351 . 1 1 28 28 TYR HD1 H 1 7.016 . . 1 . . . . . . . . 6976 1 352 . 1 1 28 28 TYR HD2 H 1 7.016 . . 1 . . . . . . . . 6976 1 353 . 1 1 28 28 TYR HE1 H 1 6.569 . . 2 . . . . . . . . 6976 1 354 . 1 1 28 28 TYR HE2 H 1 6.564 . . 2 . . . . . . . . 6976 1 355 . 1 1 28 28 TYR C C 13 177.954 . . 1 . . . . . . . . 6976 1 356 . 1 1 28 28 TYR CA C 13 60.804 . . 1 . . . . . . . . 6976 1 357 . 1 1 28 28 TYR CB C 13 38.515 . . 1 . . . . . . . . 6976 1 358 . 1 1 28 28 TYR CD1 C 13 132.912 . . 1 . . . . . . . . 6976 1 359 . 1 1 28 28 TYR CD2 C 13 132.912 . . 1 . . . . . . . . 6976 1 360 . 1 1 28 28 TYR CE1 C 13 117.894 . . 2 . . . . . . . . 6976 1 361 . 1 1 28 28 TYR CE2 C 13 117.875 . . 2 . . . . . . . . 6976 1 362 . 1 1 28 28 TYR N N 15 115.001 . . 1 . . . . . . . . 6976 1 363 . 1 1 29 29 GLU H H 1 7.450 . . 1 . . . . . . . . 6976 1 364 . 1 1 29 29 GLU HA H 1 4.088 . . 1 . . . . . . . . 6976 1 365 . 1 1 29 29 GLU HB2 H 1 2.219 . . 2 . . . . . . . . 6976 1 366 . 1 1 29 29 GLU HB3 H 1 1.893 . . 2 . . . . . . . . 6976 1 367 . 1 1 29 29 GLU HG2 H 1 2.537 . . 2 . . . . . . . . 6976 1 368 . 1 1 29 29 GLU HG3 H 1 2.401 . . 2 . . . . . . . . 6976 1 369 . 1 1 29 29 GLU C C 13 175.313 . . 1 . . . . . . . . 6976 1 370 . 1 1 29 29 GLU CA C 13 56.409 . . 1 . . . . . . . . 6976 1 371 . 1 1 29 29 GLU CB C 13 29.943 . . 1 . . . . . . . . 6976 1 372 . 1 1 29 29 GLU CG C 13 36.199 . . 1 . . . . . . . . 6976 1 373 . 1 1 29 29 GLU N N 15 116.696 . . 1 . . . . . . . . 6976 1 374 . 1 1 30 30 ASP H H 1 7.378 . . 1 . . . . . . . . 6976 1 375 . 1 1 30 30 ASP HA H 1 4.715 . . 1 . . . . . . . . 6976 1 376 . 1 1 30 30 ASP HB2 H 1 3.595 . . 2 . . . . . . . . 6976 1 377 . 1 1 30 30 ASP HB3 H 1 2.949 . . 2 . . . . . . . . 6976 1 378 . 1 1 30 30 ASP C C 13 177.743 . . 1 . . . . . . . . 6976 1 379 . 1 1 30 30 ASP CA C 13 52.809 . . 1 . . . . . . . . 6976 1 380 . 1 1 30 30 ASP CB C 13 40.951 . . 1 . . . . . . . . 6976 1 381 . 1 1 30 30 ASP N N 15 119.143 . . 1 . . . . . . . . 6976 1 382 . 1 1 31 31 HIS H H 1 9.048 . . 1 . . . . . . . . 6976 1 383 . 1 1 31 31 HIS HA H 1 4.454 . . 1 . . . . . . . . 6976 1 384 . 1 1 31 31 HIS HB2 H 1 3.377 . . 2 . . . . . . . . 6976 1 385 . 1 1 31 31 HIS HB3 H 1 3.319 . . 2 . . . . . . . . 6976 1 386 . 1 1 31 31 HIS C C 13 175.932 . . 1 . . . . . . . . 6976 1 387 . 1 1 31 31 HIS CA C 13 57.532 . . 1 . . . . . . . . 6976 1 388 . 1 1 31 31 HIS CB C 13 28.335 . . 1 . . . . . . . . 6976 1 389 . 1 1 31 31 HIS N N 15 125.228 . . 1 . . . . . . . . 6976 1 390 . 1 1 32 32 SER H H 1 8.494 . . 1 . . . . . . . . 6976 1 391 . 1 1 32 32 SER HA H 1 4.532 . . 1 . . . . . . . . 6976 1 392 . 1 1 32 32 SER HB2 H 1 4.278 . . 2 . . . . . . . . 6976 1 393 . 1 1 32 32 SER HB3 H 1 3.936 . . 2 . . . . . . . . 6976 1 394 . 1 1 32 32 SER C C 13 172.204 . . 1 . . . . . . . . 6976 1 395 . 1 1 32 32 SER CA C 13 57.627 . . 1 . . . . . . . . 6976 1 396 . 1 1 32 32 SER CB C 13 63.999 . . 1 . . . . . . . . 6976 1 397 . 1 1 32 32 SER N N 15 114.018 . . 1 . . . . . . . . 6976 1 398 . 1 1 33 33 PHE H H 1 7.069 . . 1 . . . . . . . . 6976 1 399 . 1 1 33 33 PHE HA H 1 3.474 . . 1 . . . . . . . . 6976 1 400 . 1 1 33 33 PHE HB2 H 1 3.275 . . 2 . . . . . . . . 6976 1 401 . 1 1 33 33 PHE HB3 H 1 2.590 . . 2 . . . . . . . . 6976 1 402 . 1 1 33 33 PHE CA C 13 57.599 . . 1 . . . . . . . . 6976 1 403 . 1 1 33 33 PHE CB C 13 39.924 . . 1 . . . . . . . . 6976 1 404 . 1 1 33 33 PHE N N 15 124.230 . . 1 . . . . . . . . 6976 1 405 . 1 1 33 33 PHE HD1 H 1 7.118 . . 1 . . . . . . . . 6976 1 406 . 1 1 33 33 PHE HD2 H 1 7.118 . . 1 . . . . . . . . 6976 1 407 . 1 1 33 33 PHE HE1 H 1 7.250 . . 1 . . . . . . . . 6976 1 408 . 1 1 33 33 PHE HE2 H 1 7.250 . . 1 . . . . . . . . 6976 1 409 . 1 1 33 33 PHE HZ H 1 7.252 . . 1 . . . . . . . . 6976 1 410 . 1 1 33 33 PHE CD1 C 13 133.163 . . 1 . . . . . . . . 6976 1 411 . 1 1 33 33 PHE CD2 C 13 133.163 . . 1 . . . . . . . . 6976 1 412 . 1 1 33 33 PHE CE1 C 13 130.446 . . 1 . . . . . . . . 6976 1 413 . 1 1 33 33 PHE CE2 C 13 130.446 . . 1 . . . . . . . . 6976 1 414 . 1 1 33 33 PHE CZ C 13 128.418 . . 1 . . . . . . . . 6976 1 415 . 1 1 34 34 PRO HA H 1 4.364 . . 1 . . . . . . . . 6976 1 416 . 1 1 34 34 PRO HB2 H 1 1.904 . . 2 . . . . . . . . 6976 1 417 . 1 1 34 34 PRO HB3 H 1 1.833 . . 2 . . . . . . . . 6976 1 418 . 1 1 34 34 PRO HG2 H 1 1.296 . . 2 . . . . . . . . 6976 1 419 . 1 1 34 34 PRO HG3 H 1 1.174 . . 2 . . . . . . . . 6976 1 420 . 1 1 34 34 PRO HD2 H 1 1.696 . . 2 . . . . . . . . 6976 1 421 . 1 1 34 34 PRO HD3 H 1 1.140 . . 2 . . . . . . . . 6976 1 422 . 1 1 34 34 PRO C C 13 176.297 . . 1 . . . . . . . . 6976 1 423 . 1 1 34 34 PRO CA C 13 62.393 . . 1 . . . . . . . . 6976 1 424 . 1 1 34 34 PRO CB C 13 29.217 . . 1 . . . . . . . . 6976 1 425 . 1 1 34 34 PRO CG C 13 27.449 . . 1 . . . . . . . . 6976 1 426 . 1 1 34 34 PRO CD C 13 49.756 . . 1 . . . . . . . . 6976 1 427 . 1 1 35 35 LYS H H 1 8.175 . . 1 . . . . . . . . 6976 1 428 . 1 1 35 35 LYS HA H 1 3.516 . . 1 . . . . . . . . 6976 1 429 . 1 1 35 35 LYS HB2 H 1 1.553 . . 2 . . . . . . . . 6976 1 430 . 1 1 35 35 LYS HB3 H 1 1.409 . . 2 . . . . . . . . 6976 1 431 . 1 1 35 35 LYS HG2 H 1 1.305 . . 2 . . . . . . . . 6976 1 432 . 1 1 35 35 LYS HG3 H 1 -0.210 . . 2 . . . . . . . . 6976 1 433 . 1 1 35 35 LYS HD2 H 1 1.307 . . 2 . . . . . . . . 6976 1 434 . 1 1 35 35 LYS HD3 H 1 1.217 . . 2 . . . . . . . . 6976 1 435 . 1 1 35 35 LYS HE2 H 1 2.793 . . 1 . . . . . . . . 6976 1 436 . 1 1 35 35 LYS HE3 H 1 2.793 . . 1 . . . . . . . . 6976 1 437 . 1 1 35 35 LYS C C 13 176.989 . . 1 . . . . . . . . 6976 1 438 . 1 1 35 35 LYS CA C 13 59.236 . . 1 . . . . . . . . 6976 1 439 . 1 1 35 35 LYS CB C 13 33.872 . . 1 . . . . . . . . 6976 1 440 . 1 1 35 35 LYS CG C 13 25.119 . . 1 . . . . . . . . 6976 1 441 . 1 1 35 35 LYS CD C 13 29.238 . . 1 . . . . . . . . 6976 1 442 . 1 1 35 35 LYS CE C 13 42.146 . . 1 . . . . . . . . 6976 1 443 . 1 1 35 35 LYS N N 15 127.734 . . 1 . . . . . . . . 6976 1 444 . 1 1 36 36 THR H H 1 8.198 . . 1 . . . . . . . . 6976 1 445 . 1 1 36 36 THR HA H 1 4.732 . . 1 . . . . . . . . 6976 1 446 . 1 1 36 36 THR HB H 1 4.573 . . 1 . . . . . . . . 6976 1 447 . 1 1 36 36 THR HG21 H 1 1.202 . . 1 . . . . . . . . 6976 1 448 . 1 1 36 36 THR HG22 H 1 1.202 . . 1 . . . . . . . . 6976 1 449 . 1 1 36 36 THR HG23 H 1 1.202 . . 1 . . . . . . . . 6976 1 450 . 1 1 36 36 THR C C 13 175.404 . . 1 . . . . . . . . 6976 1 451 . 1 1 36 36 THR CA C 13 61.009 . . 1 . . . . . . . . 6976 1 452 . 1 1 36 36 THR CB C 13 69.717 . . 1 . . . . . . . . 6976 1 453 . 1 1 36 36 THR CG2 C 13 21.582 . . 1 . . . . . . . . 6976 1 454 . 1 1 36 36 THR N N 15 106.107 . . 1 . . . . . . . . 6976 1 455 . 1 1 37 37 SER H H 1 6.758 . . 1 . . . . . . . . 6976 1 456 . 1 1 37 37 SER HA H 1 4.539 . . 1 . . . . . . . . 6976 1 457 . 1 1 37 37 SER HB2 H 1 3.997 . . 2 . . . . . . . . 6976 1 458 . 1 1 37 37 SER HB3 H 1 3.674 . . 2 . . . . . . . . 6976 1 459 . 1 1 37 37 SER C C 13 176.813 . . 1 . . . . . . . . 6976 1 460 . 1 1 37 37 SER CA C 13 59.599 . . 1 . . . . . . . . 6976 1 461 . 1 1 37 37 SER CB C 13 63.589 . . 1 . . . . . . . . 6976 1 462 . 1 1 37 37 SER N N 15 114.417 . . 1 . . . . . . . . 6976 1 463 . 1 1 38 38 THR H H 1 9.346 . . 1 . . . . . . . . 6976 1 464 . 1 1 38 38 THR HA H 1 4.952 . . 1 . . . . . . . . 6976 1 465 . 1 1 38 38 THR HB H 1 5.035 . . 1 . . . . . . . . 6976 1 466 . 1 1 38 38 THR HG21 H 1 1.341 . . 1 . . . . . . . . 6976 1 467 . 1 1 38 38 THR HG22 H 1 1.341 . . 1 . . . . . . . . 6976 1 468 . 1 1 38 38 THR HG23 H 1 1.341 . . 1 . . . . . . . . 6976 1 469 . 1 1 38 38 THR C C 13 172.835 . . 1 . . . . . . . . 6976 1 470 . 1 1 38 38 THR CA C 13 60.722 . . 1 . . . . . . . . 6976 1 471 . 1 1 38 38 THR CB C 13 69.748 . . 1 . . . . . . . . 6976 1 472 . 1 1 38 38 THR CG2 C 13 21.543 . . 1 . . . . . . . . 6976 1 473 . 1 1 38 38 THR N N 15 119.653 . . 1 . . . . . . . . 6976 1 474 . 1 1 39 39 ASP H H 1 8.438 . . 1 . . . . . . . . 6976 1 475 . 1 1 39 39 ASP HA H 1 5.211 . . 1 . . . . . . . . 6976 1 476 . 1 1 39 39 ASP HB2 H 1 2.821 . . 2 . . . . . . . . 6976 1 477 . 1 1 39 39 ASP HB3 H 1 2.645 . . 2 . . . . . . . . 6976 1 478 . 1 1 39 39 ASP C C 13 174.077 . . 1 . . . . . . . . 6976 1 479 . 1 1 39 39 ASP CA C 13 53.831 . . 1 . . . . . . . . 6976 1 480 . 1 1 39 39 ASP CB C 13 45.625 . . 1 . . . . . . . . 6976 1 481 . 1 1 39 39 ASP N N 15 124.254 . . 1 . . . . . . . . 6976 1 482 . 1 1 40 40 TYR H H 1 8.838 . . 1 . . . . . . . . 6976 1 483 . 1 1 40 40 TYR HA H 1 2.406 . . 1 . . . . . . . . 6976 1 484 . 1 1 40 40 TYR HB2 H 1 2.221 . . 2 . . . . . . . . 6976 1 485 . 1 1 40 40 TYR HB3 H 1 2.173 . . 2 . . . . . . . . 6976 1 486 . 1 1 40 40 TYR HD1 H 1 5.124 . . 1 . . . . . . . . 6976 1 487 . 1 1 40 40 TYR HD2 H 1 5.124 . . 1 . . . . . . . . 6976 1 488 . 1 1 40 40 TYR HE1 H 1 6.204 . . 1 . . . . . . . . 6976 1 489 . 1 1 40 40 TYR HE2 H 1 6.204 . . 1 . . . . . . . . 6976 1 490 . 1 1 40 40 TYR C C 13 177.327 . . 1 . . . . . . . . 6976 1 491 . 1 1 40 40 TYR CA C 13 62.103 . . 1 . . . . . . . . 6976 1 492 . 1 1 40 40 TYR CB C 13 38.642 . . 1 . . . . . . . . 6976 1 493 . 1 1 40 40 TYR CD1 C 13 132.019 . . 1 . . . . . . . . 6976 1 494 . 1 1 40 40 TYR CD2 C 13 132.019 . . 1 . . . . . . . . 6976 1 495 . 1 1 40 40 TYR CE1 C 13 117.929 . . 1 . . . . . . . . 6976 1 496 . 1 1 40 40 TYR CE2 C 13 117.929 . . 1 . . . . . . . . 6976 1 497 . 1 1 40 40 TYR N N 15 127.942 . . 1 . . . . . . . . 6976 1 498 . 1 1 41 41 HIS H H 1 8.287 . . 1 . . . . . . . . 6976 1 499 . 1 1 41 41 HIS HA H 1 3.978 . . 1 . . . . . . . . 6976 1 500 . 1 1 41 41 HIS HB2 H 1 3.342 . . 2 . . . . . . . . 6976 1 501 . 1 1 41 41 HIS HB3 H 1 3.337 . . 2 . . . . . . . . 6976 1 502 . 1 1 41 41 HIS C C 13 177.471 . . 1 . . . . . . . . 6976 1 503 . 1 1 41 41 HIS CA C 13 59.558 . . 1 . . . . . . . . 6976 1 504 . 1 1 41 41 HIS CB C 13 28.071 . . 1 . . . . . . . . 6976 1 505 . 1 1 41 41 HIS N N 15 117.396 . . 1 . . . . . . . . 6976 1 506 . 1 1 42 42 GLU H H 1 8.610 . . 1 . . . . . . . . 6976 1 507 . 1 1 42 42 GLU HA H 1 3.772 . . 1 . . . . . . . . 6976 1 508 . 1 1 42 42 GLU HB2 H 1 2.186 . . 2 . . . . . . . . 6976 1 509 . 1 1 42 42 GLU HB3 H 1 2.114 . . 2 . . . . . . . . 6976 1 510 . 1 1 42 42 GLU HG2 H 1 2.534 . . 2 . . . . . . . . 6976 1 511 . 1 1 42 42 GLU HG3 H 1 2.402 . . 2 . . . . . . . . 6976 1 512 . 1 1 42 42 GLU C C 13 178.933 . . 1 . . . . . . . . 6976 1 513 . 1 1 42 42 GLU CA C 13 59.370 . . 1 . . . . . . . . 6976 1 514 . 1 1 42 42 GLU CB C 13 30.093 . . 1 . . . . . . . . 6976 1 515 . 1 1 42 42 GLU CG C 13 36.019 . . 1 . . . . . . . . 6976 1 516 . 1 1 42 42 GLU N N 15 122.751 . . 1 . . . . . . . . 6976 1 517 . 1 1 43 43 ILE H H 1 7.571 . . 1 . . . . . . . . 6976 1 518 . 1 1 43 43 ILE HA H 1 3.255 . . 1 . . . . . . . . 6976 1 519 . 1 1 43 43 ILE HB H 1 1.277 . . 1 . . . . . . . . 6976 1 520 . 1 1 43 43 ILE HG12 H 1 1.968 . . 2 . . . . . . . . 6976 1 521 . 1 1 43 43 ILE HG13 H 1 0.869 . . 2 . . . . . . . . 6976 1 522 . 1 1 43 43 ILE HG21 H 1 0.530 . . 1 . . . . . . . . 6976 1 523 . 1 1 43 43 ILE HG22 H 1 0.530 . . 1 . . . . . . . . 6976 1 524 . 1 1 43 43 ILE HG23 H 1 0.530 . . 1 . . . . . . . . 6976 1 525 . 1 1 43 43 ILE HD11 H 1 1.047 . . 1 . . . . . . . . 6976 1 526 . 1 1 43 43 ILE HD12 H 1 1.047 . . 1 . . . . . . . . 6976 1 527 . 1 1 43 43 ILE HD13 H 1 1.047 . . 1 . . . . . . . . 6976 1 528 . 1 1 43 43 ILE C C 13 176.695 . . 1 . . . . . . . . 6976 1 529 . 1 1 43 43 ILE CA C 13 64.994 . . 1 . . . . . . . . 6976 1 530 . 1 1 43 43 ILE CB C 13 37.876 . . 1 . . . . . . . . 6976 1 531 . 1 1 43 43 ILE CG1 C 13 28.521 . . 1 . . . . . . . . 6976 1 532 . 1 1 43 43 ILE CG2 C 13 19.066 . . 1 . . . . . . . . 6976 1 533 . 1 1 43 43 ILE CD1 C 13 14.498 . . 1 . . . . . . . . 6976 1 534 . 1 1 43 43 ILE N N 15 118.502 . . 1 . . . . . . . . 6976 1 535 . 1 1 44 44 SER H H 1 8.387 . . 1 . . . . . . . . 6976 1 536 . 1 1 44 44 SER HA H 1 3.088 . . 1 . . . . . . . . 6976 1 537 . 1 1 44 44 SER HB2 H 1 3.179 . . 2 . . . . . . . . 6976 1 538 . 1 1 44 44 SER HB3 H 1 3.186 . . 2 . . . . . . . . 6976 1 539 . 1 1 44 44 SER C C 13 176.441 . . 1 . . . . . . . . 6976 1 540 . 1 1 44 44 SER CA C 13 62.010 . . 1 . . . . . . . . 6976 1 541 . 1 1 44 44 SER CB C 13 62.298 . . 1 . . . . . . . . 6976 1 542 . 1 1 44 44 SER N N 15 114.164 . . 1 . . . . . . . . 6976 1 543 . 1 1 45 45 SER H H 1 7.715 . . 1 . . . . . . . . 6976 1 544 . 1 1 45 45 SER HA H 1 3.970 . . 1 . . . . . . . . 6976 1 545 . 1 1 45 45 SER HB2 H 1 3.727 . . 2 . . . . . . . . 6976 1 546 . 1 1 45 45 SER HB3 H 1 3.644 . . 2 . . . . . . . . 6976 1 547 . 1 1 45 45 SER C C 13 175.596 . . 1 . . . . . . . . 6976 1 548 . 1 1 45 45 SER CA C 13 61.730 . . 1 . . . . . . . . 6976 1 549 . 1 1 45 45 SER CB C 13 62.873 . . 1 . . . . . . . . 6976 1 550 . 1 1 45 45 SER N N 15 114.110 . . 1 . . . . . . . . 6976 1 551 . 1 1 46 46 TYR H H 1 6.979 . . 1 . . . . . . . . 6976 1 552 . 1 1 46 46 TYR HA H 1 3.908 . . 1 . . . . . . . . 6976 1 553 . 1 1 46 46 TYR HB2 H 1 2.936 . . 2 . . . . . . . . 6976 1 554 . 1 1 46 46 TYR HB3 H 1 2.841 . . 2 . . . . . . . . 6976 1 555 . 1 1 46 46 TYR HD1 H 1 6.549 . . 2 . . . . . . . . 6976 1 556 . 1 1 46 46 TYR HD2 H 1 6.550 . . 2 . . . . . . . . 6976 1 557 . 1 1 46 46 TYR HE1 H 1 6.520 . . 1 . . . . . . . . 6976 1 558 . 1 1 46 46 TYR HE2 H 1 6.520 . . 1 . . . . . . . . 6976 1 559 . 1 1 46 46 TYR C C 13 177.330 . . 1 . . . . . . . . 6976 1 560 . 1 1 46 46 TYR CA C 13 61.450 . . 1 . . . . . . . . 6976 1 561 . 1 1 46 46 TYR CB C 13 37.604 . . 1 . . . . . . . . 6976 1 562 . 1 1 46 46 TYR CD1 C 13 132.744 . . 2 . . . . . . . . 6976 1 563 . 1 1 46 46 TYR CD2 C 13 132.738 . . 2 . . . . . . . . 6976 1 564 . 1 1 46 46 TYR CE1 C 13 118.019 . . 1 . . . . . . . . 6976 1 565 . 1 1 46 46 TYR CE2 C 13 118.019 . . 1 . . . . . . . . 6976 1 566 . 1 1 46 46 TYR N N 15 121.195 . . 1 . . . . . . . . 6976 1 567 . 1 1 47 47 LEU H H 1 7.741 . . 1 . . . . . . . . 6976 1 568 . 1 1 47 47 LEU HA H 1 3.318 . . 1 . . . . . . . . 6976 1 569 . 1 1 47 47 LEU HB2 H 1 1.364 . . 2 . . . . . . . . 6976 1 570 . 1 1 47 47 LEU HB3 H 1 0.990 . . 2 . . . . . . . . 6976 1 571 . 1 1 47 47 LEU HG H 1 1.483 . . 1 . . . . . . . . 6976 1 572 . 1 1 47 47 LEU HD11 H 1 0.015 . . 1 . . . . . . . . 6976 1 573 . 1 1 47 47 LEU HD12 H 1 0.015 . . 1 . . . . . . . . 6976 1 574 . 1 1 47 47 LEU HD13 H 1 0.015 . . 1 . . . . . . . . 6976 1 575 . 1 1 47 47 LEU HD21 H 1 0.246 . . 1 . . . . . . . . 6976 1 576 . 1 1 47 47 LEU HD22 H 1 0.246 . . 1 . . . . . . . . 6976 1 577 . 1 1 47 47 LEU HD23 H 1 0.246 . . 1 . . . . . . . . 6976 1 578 . 1 1 47 47 LEU C C 13 178.834 . . 1 . . . . . . . . 6976 1 579 . 1 1 47 47 LEU CA C 13 57.525 . . 1 . . . . . . . . 6976 1 580 . 1 1 47 47 LEU CB C 13 41.261 . . 1 . . . . . . . . 6976 1 581 . 1 1 47 47 LEU CG C 13 25.846 . . 1 . . . . . . . . 6976 1 582 . 1 1 47 47 LEU CD1 C 13 26.482 . . 1 . . . . . . . . 6976 1 583 . 1 1 47 47 LEU CD2 C 13 22.130 . . 1 . . . . . . . . 6976 1 584 . 1 1 47 47 LEU N N 15 118.335 . . 1 . . . . . . . . 6976 1 585 . 1 1 48 48 GLU H H 1 8.017 . . 1 . . . . . . . . 6976 1 586 . 1 1 48 48 GLU HA H 1 3.754 . . 1 . . . . . . . . 6976 1 587 . 1 1 48 48 GLU HB2 H 1 1.958 . . 2 . . . . . . . . 6976 1 588 . 1 1 48 48 GLU HB3 H 1 1.886 . . 2 . . . . . . . . 6976 1 589 . 1 1 48 48 GLU HG2 H 1 2.361 . . 2 . . . . . . . . 6976 1 590 . 1 1 48 48 GLU HG3 H 1 2.212 . . 2 . . . . . . . . 6976 1 591 . 1 1 48 48 GLU C C 13 178.246 . . 1 . . . . . . . . 6976 1 592 . 1 1 48 48 GLU CA C 13 58.376 . . 1 . . . . . . . . 6976 1 593 . 1 1 48 48 GLU CB C 13 29.673 . . 1 . . . . . . . . 6976 1 594 . 1 1 48 48 GLU CG C 13 36.507 . . 1 . . . . . . . . 6976 1 595 . 1 1 48 48 GLU N N 15 115.102 . . 1 . . . . . . . . 6976 1 596 . 1 1 49 49 LEU H H 1 7.114 . . 1 . . . . . . . . 6976 1 597 . 1 1 49 49 LEU HA H 1 4.198 . . 1 . . . . . . . . 6976 1 598 . 1 1 49 49 LEU HB2 H 1 1.580 . . 2 . . . . . . . . 6976 1 599 . 1 1 49 49 LEU HB3 H 1 1.543 . . 2 . . . . . . . . 6976 1 600 . 1 1 49 49 LEU HG H 1 1.675 . . 1 . . . . . . . . 6976 1 601 . 1 1 49 49 LEU HD11 H 1 0.804 . . 1 . . . . . . . . 6976 1 602 . 1 1 49 49 LEU HD12 H 1 0.804 . . 1 . . . . . . . . 6976 1 603 . 1 1 49 49 LEU HD13 H 1 0.804 . . 1 . . . . . . . . 6976 1 604 . 1 1 49 49 LEU HD21 H 1 0.798 . . 1 . . . . . . . . 6976 1 605 . 1 1 49 49 LEU HD22 H 1 0.798 . . 1 . . . . . . . . 6976 1 606 . 1 1 49 49 LEU HD23 H 1 0.798 . . 1 . . . . . . . . 6976 1 607 . 1 1 49 49 LEU C C 13 176.594 . . 1 . . . . . . . . 6976 1 608 . 1 1 49 49 LEU CA C 13 55.182 . . 1 . . . . . . . . 6976 1 609 . 1 1 49 49 LEU CB C 13 42.634 . . 1 . . . . . . . . 6976 1 610 . 1 1 49 49 LEU CG C 13 26.792 . . 1 . . . . . . . . 6976 1 611 . 1 1 49 49 LEU CD1 C 13 24.886 . . 1 . . . . . . . . 6976 1 612 . 1 1 49 49 LEU CD2 C 13 22.979 . . 1 . . . . . . . . 6976 1 613 . 1 1 49 49 LEU N N 15 117.001 . . 1 . . . . . . . . 6976 1 614 . 1 1 50 50 ASN H H 1 7.283 . . 1 . . . . . . . . 6976 1 615 . 1 1 50 50 ASN HA H 1 4.737 . . 1 . . . . . . . . 6976 1 616 . 1 1 50 50 ASN HB2 H 1 2.845 . . 2 . . . . . . . . 6976 1 617 . 1 1 50 50 ASN HB3 H 1 2.172 . . 2 . . . . . . . . 6976 1 618 . 1 1 50 50 ASN HD21 H 1 6.530 . . 1 . . . . . . . . 6976 1 619 . 1 1 50 50 ASN HD22 H 1 7.407 . . 1 . . . . . . . . 6976 1 620 . 1 1 50 50 ASN CA C 13 52.388 . . 1 . . . . . . . . 6976 1 621 . 1 1 50 50 ASN CB C 13 39.772 . . 1 . . . . . . . . 6976 1 622 . 1 1 50 50 ASN N N 15 118.425 . . 1 . . . . . . . . 6976 1 623 . 1 1 50 50 ASN ND2 N 15 113.523 . . 1 . . . . . . . . 6976 1 624 . 1 1 51 51 ALA HA H 1 4.099 . . 1 . . . . . . . . 6976 1 625 . 1 1 51 51 ALA HB1 H 1 1.393 . . 1 . . . . . . . . 6976 1 626 . 1 1 51 51 ALA HB2 H 1 1.393 . . 1 . . . . . . . . 6976 1 627 . 1 1 51 51 ALA HB3 H 1 1.393 . . 1 . . . . . . . . 6976 1 628 . 1 1 51 51 ALA C C 13 178.720 . . 1 . . . . . . . . 6976 1 629 . 1 1 51 51 ALA CA C 13 54.276 . . 1 . . . . . . . . 6976 1 630 . 1 1 51 51 ALA CB C 13 18.498 . . 1 . . . . . . . . 6976 1 631 . 1 1 52 52 ASP H H 1 8.567 . . 1 . . . . . . . . 6976 1 632 . 1 1 52 52 ASP HA H 1 4.406 . . 1 . . . . . . . . 6976 1 633 . 1 1 52 52 ASP HB2 H 1 2.360 . . 2 . . . . . . . . 6976 1 634 . 1 1 52 52 ASP HB3 H 1 2.309 . . 2 . . . . . . . . 6976 1 635 . 1 1 52 52 ASP CA C 13 56.375 . . 1 . . . . . . . . 6976 1 636 . 1 1 52 52 ASP CB C 13 39.661 . . 1 . . . . . . . . 6976 1 637 . 1 1 52 52 ASP N N 15 118.456 . . 1 . . . . . . . . 6976 1 638 . 1 1 53 53 TYR HA H 1 4.589 . . 1 . . . . . . . . 6976 1 639 . 1 1 53 53 TYR HB2 H 1 3.176 . . 2 . . . . . . . . 6976 1 640 . 1 1 53 53 TYR HB3 H 1 3.001 . . 2 . . . . . . . . 6976 1 641 . 1 1 53 53 TYR HD1 H 1 7.037 . . 1 . . . . . . . . 6976 1 642 . 1 1 53 53 TYR HD2 H 1 7.037 . . 1 . . . . . . . . 6976 1 643 . 1 1 53 53 TYR HE1 H 1 6.772 . . 1 . . . . . . . . 6976 1 644 . 1 1 53 53 TYR HE2 H 1 6.772 . . 1 . . . . . . . . 6976 1 645 . 1 1 53 53 TYR C C 13 176.673 . . 1 . . . . . . . . 6976 1 646 . 1 1 53 53 TYR CA C 13 58.161 . . 1 . . . . . . . . 6976 1 647 . 1 1 53 53 TYR CB C 13 38.040 . . 1 . . . . . . . . 6976 1 648 . 1 1 53 53 TYR CD1 C 13 133.605 . . 2 . . . . . . . . 6976 1 649 . 1 1 53 53 TYR CD2 C 13 133.629 . . 2 . . . . . . . . 6976 1 650 . 1 1 53 53 TYR CE1 C 13 117.724 . . 1 . . . . . . . . 6976 1 651 . 1 1 53 53 TYR CE2 C 13 117.724 . . 1 . . . . . . . . 6976 1 652 . 1 1 54 54 LEU H H 1 7.333 . . 1 . . . . . . . . 6976 1 653 . 1 1 54 54 LEU HA H 1 4.100 . . 1 . . . . . . . . 6976 1 654 . 1 1 54 54 LEU HB2 H 1 1.622 . . 2 . . . . . . . . 6976 1 655 . 1 1 54 54 LEU HB3 H 1 1.420 . . 2 . . . . . . . . 6976 1 656 . 1 1 54 54 LEU HG H 1 1.343 . . 1 . . . . . . . . 6976 1 657 . 1 1 54 54 LEU HD11 H 1 0.886 . . 1 . . . . . . . . 6976 1 658 . 1 1 54 54 LEU HD12 H 1 0.886 . . 1 . . . . . . . . 6976 1 659 . 1 1 54 54 LEU HD13 H 1 0.886 . . 1 . . . . . . . . 6976 1 660 . 1 1 54 54 LEU HD21 H 1 0.815 . . 1 . . . . . . . . 6976 1 661 . 1 1 54 54 LEU HD22 H 1 0.815 . . 1 . . . . . . . . 6976 1 662 . 1 1 54 54 LEU HD23 H 1 0.815 . . 1 . . . . . . . . 6976 1 663 . 1 1 54 54 LEU CA C 13 58.278 . . 1 . . . . . . . . 6976 1 664 . 1 1 54 54 LEU CB C 13 42.509 . . 1 . . . . . . . . 6976 1 665 . 1 1 54 54 LEU CG C 13 26.927 . . 1 . . . . . . . . 6976 1 666 . 1 1 54 54 LEU CD1 C 13 24.152 . . 1 . . . . . . . . 6976 1 667 . 1 1 54 54 LEU CD2 C 13 24.955 . . 1 . . . . . . . . 6976 1 668 . 1 1 54 54 LEU N N 15 123.067 . . 1 . . . . . . . . 6976 1 669 . 1 1 55 55 HIS HA H 1 4.858 . . 1 . . . . . . . . 6976 1 670 . 1 1 55 55 HIS HB2 H 1 3.468 . . 2 . . . . . . . . 6976 1 671 . 1 1 55 55 HIS HB3 H 1 3.283 . . 2 . . . . . . . . 6976 1 672 . 1 1 55 55 HIS C C 13 175.718 . . 1 . . . . . . . . 6976 1 673 . 1 1 55 55 HIS CA C 13 56.105 . . 1 . . . . . . . . 6976 1 674 . 1 1 55 55 HIS CB C 13 28.392 . . 1 . . . . . . . . 6976 1 675 . 1 1 56 56 THR H H 1 7.894 . . 1 . . . . . . . . 6976 1 676 . 1 1 56 56 THR HA H 1 4.668 . . 1 . . . . . . . . 6976 1 677 . 1 1 56 56 THR HB H 1 4.356 . . 1 . . . . . . . . 6976 1 678 . 1 1 56 56 THR HG21 H 1 1.241 . . 1 . . . . . . . . 6976 1 679 . 1 1 56 56 THR HG22 H 1 1.241 . . 1 . . . . . . . . 6976 1 680 . 1 1 56 56 THR HG23 H 1 1.241 . . 1 . . . . . . . . 6976 1 681 . 1 1 56 56 THR CA C 13 61.819 . . 1 . . . . . . . . 6976 1 682 . 1 1 56 56 THR CB C 13 70.201 . . 1 . . . . . . . . 6976 1 683 . 1 1 56 56 THR CG2 C 13 22.397 . . 1 . . . . . . . . 6976 1 684 . 1 1 56 56 THR N N 15 111.970 . . 1 . . . . . . . . 6976 1 685 . 1 1 57 57 MET HA H 1 4.353 . . 1 . . . . . . . . 6976 1 686 . 1 1 57 57 MET HB2 H 1 2.104 . . 2 . . . . . . . . 6976 1 687 . 1 1 57 57 MET HB3 H 1 1.863 . . 2 . . . . . . . . 6976 1 688 . 1 1 57 57 MET HG2 H 1 2.617 . . 2 . . . . . . . . 6976 1 689 . 1 1 57 57 MET HG3 H 1 2.619 . . 2 . . . . . . . . 6976 1 690 . 1 1 57 57 MET HE1 H 1 1.678 . . 1 . . . . . . . . 6976 1 691 . 1 1 57 57 MET HE2 H 1 1.678 . . 1 . . . . . . . . 6976 1 692 . 1 1 57 57 MET HE3 H 1 1.678 . . 1 . . . . . . . . 6976 1 693 . 1 1 57 57 MET C C 13 177.855 . . 1 . . . . . . . . 6976 1 694 . 1 1 57 57 MET CA C 13 57.464 . . 1 . . . . . . . . 6976 1 695 . 1 1 57 57 MET CB C 13 30.124 . . 1 . . . . . . . . 6976 1 696 . 1 1 57 57 MET CG C 13 31.971 . . 1 . . . . . . . . 6976 1 697 . 1 1 57 57 MET CE C 13 16.017 . . 1 . . . . . . . . 6976 1 698 . 1 1 58 58 ALA H H 1 8.471 . . 1 . . . . . . . . 6976 1 699 . 1 1 58 58 ALA HA H 1 4.325 . . 1 . . . . . . . . 6976 1 700 . 1 1 58 58 ALA HB1 H 1 1.486 . . 1 . . . . . . . . 6976 1 701 . 1 1 58 58 ALA HB2 H 1 1.486 . . 1 . . . . . . . . 6976 1 702 . 1 1 58 58 ALA HB3 H 1 1.486 . . 1 . . . . . . . . 6976 1 703 . 1 1 58 58 ALA C C 13 180.580 . . 1 . . . . . . . . 6976 1 704 . 1 1 58 58 ALA CA C 13 55.296 . . 1 . . . . . . . . 6976 1 705 . 1 1 58 58 ALA CB C 13 17.876 . . 1 . . . . . . . . 6976 1 706 . 1 1 58 58 ALA N N 15 121.196 . . 1 . . . . . . . . 6976 1 707 . 1 1 59 59 THR H H 1 7.679 . . 1 . . . . . . . . 6976 1 708 . 1 1 59 59 THR HA H 1 4.005 . . 1 . . . . . . . . 6976 1 709 . 1 1 59 59 THR HB H 1 4.151 . . 1 . . . . . . . . 6976 1 710 . 1 1 59 59 THR HG21 H 1 1.185 . . 1 . . . . . . . . 6976 1 711 . 1 1 59 59 THR HG22 H 1 1.185 . . 1 . . . . . . . . 6976 1 712 . 1 1 59 59 THR HG23 H 1 1.185 . . 1 . . . . . . . . 6976 1 713 . 1 1 59 59 THR CA C 13 65.645 . . 1 . . . . . . . . 6976 1 714 . 1 1 59 59 THR CB C 13 68.304 . . 1 . . . . . . . . 6976 1 715 . 1 1 59 59 THR CG2 C 13 22.168 . . 1 . . . . . . . . 6976 1 716 . 1 1 59 59 THR N N 15 116.330 . . 1 . . . . . . . . 6976 1 717 . 1 1 60 60 PHE HD1 H 1 7.087 . . 1 . . . . . . . . 6976 1 718 . 1 1 60 60 PHE HD2 H 1 7.087 . . 1 . . . . . . . . 6976 1 719 . 1 1 60 60 PHE HE1 H 1 6.460 . . 2 . . . . . . . . 6976 1 720 . 1 1 60 60 PHE HE2 H 1 6.453 . . 2 . . . . . . . . 6976 1 721 . 1 1 60 60 PHE HZ H 1 6.060 . . 1 . . . . . . . . 6976 1 722 . 1 1 60 60 PHE CD1 C 13 131.930 . . 1 . . . . . . . . 6976 1 723 . 1 1 60 60 PHE CD2 C 13 131.930 . . 1 . . . . . . . . 6976 1 724 . 1 1 60 60 PHE CE1 C 13 131.002 . . 2 . . . . . . . . 6976 1 725 . 1 1 60 60 PHE CE2 C 13 130.997 . . 2 . . . . . . . . 6976 1 726 . 1 1 60 60 PHE CZ C 13 128.708 . . 1 . . . . . . . . 6976 1 727 . 1 1 60 60 PHE H H 1 8.053 . . 1 . . . . . . . . 6976 1 728 . 1 1 60 60 PHE HA H 1 4.041 . . 1 . . . . . . . . 6976 1 729 . 1 1 60 60 PHE HB2 H 1 3.109 . . 2 . . . . . . . . 6976 1 730 . 1 1 60 60 PHE HB3 H 1 2.886 . . 2 . . . . . . . . 6976 1 731 . 1 1 60 60 PHE C C 13 175.744 . . 1 . . . . . . . . 6976 1 732 . 1 1 60 60 PHE CA C 13 60.816 . . 1 . . . . . . . . 6976 1 733 . 1 1 60 60 PHE CB C 13 37.671 . . 1 . . . . . . . . 6976 1 734 . 1 1 60 60 PHE N N 15 122.262 . . 1 . . . . . . . . 6976 1 735 . 1 1 61 61 ASP H H 1 8.075 . . 1 . . . . . . . . 6976 1 736 . 1 1 61 61 ASP HA H 1 4.028 . . 1 . . . . . . . . 6976 1 737 . 1 1 61 61 ASP HB2 H 1 2.675 . . 2 . . . . . . . . 6976 1 738 . 1 1 61 61 ASP HB3 H 1 2.351 . . 2 . . . . . . . . 6976 1 739 . 1 1 61 61 ASP C C 13 178.231 . . 1 . . . . . . . . 6976 1 740 . 1 1 61 61 ASP CA C 13 58.105 . . 1 . . . . . . . . 6976 1 741 . 1 1 61 61 ASP CB C 13 40.094 . . 1 . . . . . . . . 6976 1 742 . 1 1 61 61 ASP N N 15 119.186 . . 1 . . . . . . . . 6976 1 743 . 1 1 62 62 GLU H H 1 7.536 . . 1 . . . . . . . . 6976 1 744 . 1 1 62 62 GLU HA H 1 4.147 . . 1 . . . . . . . . 6976 1 745 . 1 1 62 62 GLU HB2 H 1 2.198 . . 2 . . . . . . . . 6976 1 746 . 1 1 62 62 GLU HB3 H 1 2.163 . . 2 . . . . . . . . 6976 1 747 . 1 1 62 62 GLU HG2 H 1 2.464 . . 2 . . . . . . . . 6976 1 748 . 1 1 62 62 GLU HG3 H 1 2.306 . . 2 . . . . . . . . 6976 1 749 . 1 1 62 62 GLU C C 13 179.306 . . 1 . . . . . . . . 6976 1 750 . 1 1 62 62 GLU CA C 13 59.294 . . 1 . . . . . . . . 6976 1 751 . 1 1 62 62 GLU CB C 13 29.536 . . 1 . . . . . . . . 6976 1 752 . 1 1 62 62 GLU CG C 13 36.050 . . 1 . . . . . . . . 6976 1 753 . 1 1 62 62 GLU N N 15 118.634 . . 1 . . . . . . . . 6976 1 754 . 1 1 63 63 ALA H H 1 8.479 . . 1 . . . . . . . . 6976 1 755 . 1 1 63 63 ALA HA H 1 4.175 . . 1 . . . . . . . . 6976 1 756 . 1 1 63 63 ALA HB1 H 1 1.805 . . 1 . . . . . . . . 6976 1 757 . 1 1 63 63 ALA HB2 H 1 1.805 . . 1 . . . . . . . . 6976 1 758 . 1 1 63 63 ALA HB3 H 1 1.805 . . 1 . . . . . . . . 6976 1 759 . 1 1 63 63 ALA C C 13 179.483 . . 1 . . . . . . . . 6976 1 760 . 1 1 63 63 ALA CA C 13 55.358 . . 1 . . . . . . . . 6976 1 761 . 1 1 63 63 ALA CB C 13 18.625 . . 1 . . . . . . . . 6976 1 762 . 1 1 63 63 ALA N N 15 122.737 . . 1 . . . . . . . . 6976 1 763 . 1 1 64 64 TRP H H 1 9.646 . . 1 . . . . . . . . 6976 1 764 . 1 1 64 64 TRP HA H 1 3.983 . . 1 . . . . . . . . 6976 1 765 . 1 1 64 64 TRP HB2 H 1 2.940 . . 2 . . . . . . . . 6976 1 766 . 1 1 64 64 TRP HB3 H 1 2.460 . . 2 . . . . . . . . 6976 1 767 . 1 1 64 64 TRP HD1 H 1 6.970 . . 1 . . . . . . . . 6976 1 768 . 1 1 64 64 TRP HE1 H 1 10.073 . . 1 . . . . . . . . 6976 1 769 . 1 1 64 64 TRP HE3 H 1 6.381 . . 1 . . . . . . . . 6976 1 770 . 1 1 64 64 TRP HZ2 H 1 7.574 . . 1 . . . . . . . . 6976 1 771 . 1 1 64 64 TRP HZ3 H 1 6.432 . . 1 . . . . . . . . 6976 1 772 . 1 1 64 64 TRP HH2 H 1 7.146 . . 1 . . . . . . . . 6976 1 773 . 1 1 64 64 TRP C C 13 177.389 . . 1 . . . . . . . . 6976 1 774 . 1 1 64 64 TRP CA C 13 60.957 . . 1 . . . . . . . . 6976 1 775 . 1 1 64 64 TRP CB C 13 27.625 . . 1 . . . . . . . . 6976 1 776 . 1 1 64 64 TRP CD1 C 13 127.190 . . 1 . . . . . . . . 6976 1 777 . 1 1 64 64 TRP CE3 C 13 120.077 . . 1 . . . . . . . . 6976 1 778 . 1 1 64 64 TRP CZ2 C 13 114.411 . . 1 . . . . . . . . 6976 1 779 . 1 1 64 64 TRP CZ3 C 13 121.751 . . 1 . . . . . . . . 6976 1 780 . 1 1 64 64 TRP CH2 C 13 124.180 . . 1 . . . . . . . . 6976 1 781 . 1 1 64 64 TRP N N 15 120.455 . . 1 . . . . . . . . 6976 1 782 . 1 1 64 64 TRP NE1 N 15 129.272 . . 1 . . . . . . . . 6976 1 783 . 1 1 65 65 ASP H H 1 8.071 . . 1 . . . . . . . . 6976 1 784 . 1 1 65 65 ASP HA H 1 4.270 . . 1 . . . . . . . . 6976 1 785 . 1 1 65 65 ASP HB2 H 1 2.889 . . 2 . . . . . . . . 6976 1 786 . 1 1 65 65 ASP HB3 H 1 2.477 . . 2 . . . . . . . . 6976 1 787 . 1 1 65 65 ASP C C 13 179.404 . . 1 . . . . . . . . 6976 1 788 . 1 1 65 65 ASP CA C 13 57.781 . . 1 . . . . . . . . 6976 1 789 . 1 1 65 65 ASP CB C 13 39.781 . . 1 . . . . . . . . 6976 1 790 . 1 1 65 65 ASP N N 15 118.832 . . 1 . . . . . . . . 6976 1 791 . 1 1 66 66 GLN H H 1 7.535 . . 1 . . . . . . . . 6976 1 792 . 1 1 66 66 GLN HA H 1 4.094 . . 1 . . . . . . . . 6976 1 793 . 1 1 66 66 GLN HB2 H 1 2.503 . . 2 . . . . . . . . 6976 1 794 . 1 1 66 66 GLN HB3 H 1 2.361 . . 2 . . . . . . . . 6976 1 795 . 1 1 66 66 GLN HG2 H 1 2.658 . . 2 . . . . . . . . 6976 1 796 . 1 1 66 66 GLN HG3 H 1 2.584 . . 2 . . . . . . . . 6976 1 797 . 1 1 66 66 GLN HE21 H 1 7.528 . . 1 . . . . . . . . 6976 1 798 . 1 1 66 66 GLN HE22 H 1 6.705 . . 1 . . . . . . . . 6976 1 799 . 1 1 66 66 GLN C C 13 177.648 . . 1 . . . . . . . . 6976 1 800 . 1 1 66 66 GLN CA C 13 59.177 . . 1 . . . . . . . . 6976 1 801 . 1 1 66 66 GLN CB C 13 28.489 . . 1 . . . . . . . . 6976 1 802 . 1 1 66 66 GLN CG C 13 34.089 . . 1 . . . . . . . . 6976 1 803 . 1 1 66 66 GLN N N 15 119.507 . . 1 . . . . . . . . 6976 1 804 . 1 1 66 66 GLN NE2 N 15 111.420 . . 1 . . . . . . . . 6976 1 805 . 1 1 67 67 TYR H H 1 8.290 . . 1 . . . . . . . . 6976 1 806 . 1 1 67 67 TYR HA H 1 3.086 . . 1 . . . . . . . . 6976 1 807 . 1 1 67 67 TYR HB2 H 1 2.867 . . 2 . . . . . . . . 6976 1 808 . 1 1 67 67 TYR HB3 H 1 2.732 . . 2 . . . . . . . . 6976 1 809 . 1 1 67 67 TYR HD1 H 1 6.952 . . 2 . . . . . . . . 6976 1 810 . 1 1 67 67 TYR HD2 H 1 6.955 . . 2 . . . . . . . . 6976 1 811 . 1 1 67 67 TYR HE1 H 1 6.427 . . 1 . . . . . . . . 6976 1 812 . 1 1 67 67 TYR HE2 H 1 6.427 . . 1 . . . . . . . . 6976 1 813 . 1 1 67 67 TYR C C 13 177.095 . . 1 . . . . . . . . 6976 1 814 . 1 1 67 67 TYR CA C 13 59.981 . . 1 . . . . . . . . 6976 1 815 . 1 1 67 67 TYR CB C 13 38.094 . . 1 . . . . . . . . 6976 1 816 . 1 1 67 67 TYR CD1 C 13 132.854 . . 2 . . . . . . . . 6976 1 817 . 1 1 67 67 TYR CD2 C 13 132.817 . . 2 . . . . . . . . 6976 1 818 . 1 1 67 67 TYR CE1 C 13 117.648 . . 2 . . . . . . . . 6976 1 819 . 1 1 67 67 TYR CE2 C 13 117.650 . . 2 . . . . . . . . 6976 1 820 . 1 1 67 67 TYR N N 15 122.813 . . 1 . . . . . . . . 6976 1 821 . 1 1 68 68 GLU H H 1 8.915 . . 1 . . . . . . . . 6976 1 822 . 1 1 68 68 GLU HA H 1 3.355 . . 1 . . . . . . . . 6976 1 823 . 1 1 68 68 GLU HB2 H 1 1.871 . . 2 . . . . . . . . 6976 1 824 . 1 1 68 68 GLU HB3 H 1 1.873 . . 2 . . . . . . . . 6976 1 825 . 1 1 68 68 GLU HG2 H 1 2.220 . . 2 . . . . . . . . 6976 1 826 . 1 1 68 68 GLU HG3 H 1 2.111 . . 2 . . . . . . . . 6976 1 827 . 1 1 68 68 GLU C C 13 179.015 . . 1 . . . . . . . . 6976 1 828 . 1 1 68 68 GLU CA C 13 59.419 . . 1 . . . . . . . . 6976 1 829 . 1 1 68 68 GLU CB C 13 29.101 . . 1 . . . . . . . . 6976 1 830 . 1 1 68 68 GLU CG C 13 36.374 . . 1 . . . . . . . . 6976 1 831 . 1 1 68 68 GLU N N 15 119.185 . . 1 . . . . . . . . 6976 1 832 . 1 1 69 69 SER H H 1 7.703 . . 1 . . . . . . . . 6976 1 833 . 1 1 69 69 SER HA H 1 4.151 . . 1 . . . . . . . . 6976 1 834 . 1 1 69 69 SER HB2 H 1 3.979 . . 2 . . . . . . . . 6976 1 835 . 1 1 69 69 SER HB3 H 1 3.942 . . 2 . . . . . . . . 6976 1 836 . 1 1 69 69 SER C C 13 176.133 . . 1 . . . . . . . . 6976 1 837 . 1 1 69 69 SER CA C 13 61.478 . . 1 . . . . . . . . 6976 1 838 . 1 1 69 69 SER CB C 13 63.123 . . 1 . . . . . . . . 6976 1 839 . 1 1 69 69 SER N N 15 114.012 . . 1 . . . . . . . . 6976 1 840 . 1 1 70 70 GLU H H 1 8.131 . . 1 . . . . . . . . 6976 1 841 . 1 1 70 70 GLU HA H 1 4.100 . . 1 . . . . . . . . 6976 1 842 . 1 1 70 70 GLU HB2 H 1 2.141 . . 2 . . . . . . . . 6976 1 843 . 1 1 70 70 GLU HB3 H 1 2.028 . . 2 . . . . . . . . 6976 1 844 . 1 1 70 70 GLU HG2 H 1 2.519 . . 2 . . . . . . . . 6976 1 845 . 1 1 70 70 GLU HG3 H 1 2.169 . . 2 . . . . . . . . 6976 1 846 . 1 1 70 70 GLU C C 13 178.057 . . 1 . . . . . . . . 6976 1 847 . 1 1 70 70 GLU CA C 13 59.422 . . 1 . . . . . . . . 6976 1 848 . 1 1 70 70 GLU CB C 13 30.509 . . 1 . . . . . . . . 6976 1 849 . 1 1 70 70 GLU CG C 13 37.126 . . 1 . . . . . . . . 6976 1 850 . 1 1 70 70 GLU N N 15 119.525 . . 1 . . . . . . . . 6976 1 851 . 1 1 71 71 VAL H H 1 8.258 . . 1 . . . . . . . . 6976 1 852 . 1 1 71 71 VAL HA H 1 3.878 . . 1 . . . . . . . . 6976 1 853 . 1 1 71 71 VAL HB H 1 1.381 . . 1 . . . . . . . . 6976 1 854 . 1 1 71 71 VAL HG21 H 1 0.658 . . 1 . . . . . . . . 6976 1 855 . 1 1 71 71 VAL HG22 H 1 0.658 . . 1 . . . . . . . . 6976 1 856 . 1 1 71 71 VAL HG23 H 1 0.658 . . 1 . . . . . . . . 6976 1 857 . 1 1 71 71 VAL HG11 H 1 0.657 . . 1 . . . . . . . . 6976 1 858 . 1 1 71 71 VAL HG12 H 1 0.657 . . 1 . . . . . . . . 6976 1 859 . 1 1 71 71 VAL HG13 H 1 0.657 . . 1 . . . . . . . . 6976 1 860 . 1 1 71 71 VAL C C 13 176.874 . . 1 . . . . . . . . 6976 1 861 . 1 1 71 71 VAL CA C 13 64.182 . . 1 . . . . . . . . 6976 1 862 . 1 1 71 71 VAL CB C 13 31.900 . . 1 . . . . . . . . 6976 1 863 . 1 1 71 71 VAL CG2 C 13 22.064 . . 1 . . . . . . . . 6976 1 864 . 1 1 71 71 VAL CG1 C 13 21.325 . . 1 . . . . . . . . 6976 1 865 . 1 1 71 71 VAL N N 15 116.139 . . 1 . . . . . . . . 6976 1 866 . 1 1 72 72 HIS H H 1 7.175 . . 1 . . . . . . . . 6976 1 867 . 1 1 72 72 HIS HA H 1 4.617 . . 1 . . . . . . . . 6976 1 868 . 1 1 72 72 HIS HB2 H 1 3.183 . . 2 . . . . . . . . 6976 1 869 . 1 1 72 72 HIS HB3 H 1 3.176 . . 2 . . . . . . . . 6976 1 870 . 1 1 72 72 HIS C C 13 175.804 . . 1 . . . . . . . . 6976 1 871 . 1 1 72 72 HIS CA C 13 56.460 . . 1 . . . . . . . . 6976 1 872 . 1 1 72 72 HIS CB C 13 30.421 . . 1 . . . . . . . . 6976 1 873 . 1 1 72 72 HIS N N 15 115.590 . . 1 . . . . . . . . 6976 1 874 . 1 1 73 73 GLY H H 1 7.584 . . 1 . . . . . . . . 6976 1 875 . 1 1 73 73 GLY HA2 H 1 3.942 . . 1 . . . . . . . . 6976 1 876 . 1 1 73 73 GLY HA3 H 1 3.942 . . 1 . . . . . . . . 6976 1 877 . 1 1 73 73 GLY C C 13 174.077 . . 1 . . . . . . . . 6976 1 878 . 1 1 73 73 GLY CA C 13 46.279 . . 1 . . . . . . . . 6976 1 879 . 1 1 73 73 GLY N N 15 108.529 . . 1 . . . . . . . . 6976 1 880 . 1 1 74 74 ARG H H 1 7.855 . . 1 . . . . . . . . 6976 1 881 . 1 1 74 74 ARG HA H 1 4.372 . . 1 . . . . . . . . 6976 1 882 . 1 1 74 74 ARG HB2 H 1 1.786 . . 2 . . . . . . . . 6976 1 883 . 1 1 74 74 ARG HB3 H 1 1.626 . . 2 . . . . . . . . 6976 1 884 . 1 1 74 74 ARG HG2 H 1 1.528 . . 2 . . . . . . . . 6976 1 885 . 1 1 74 74 ARG HG3 H 1 1.523 . . 2 . . . . . . . . 6976 1 886 . 1 1 74 74 ARG HD2 H 1 3.184 . . 2 . . . . . . . . 6976 1 887 . 1 1 74 74 ARG HD3 H 1 3.157 . . 2 . . . . . . . . 6976 1 888 . 1 1 74 74 ARG HE H 1 7.298 . . 1 . . . . . . . . 6976 1 889 . 1 1 74 74 ARG C C 13 175.052 . . 1 . . . . . . . . 6976 1 890 . 1 1 74 74 ARG CA C 13 55.697 . . 1 . . . . . . . . 6976 1 891 . 1 1 74 74 ARG CB C 13 31.181 . . 1 . . . . . . . . 6976 1 892 . 1 1 74 74 ARG CG C 13 27.023 . . 1 . . . . . . . . 6976 1 893 . 1 1 74 74 ARG CD C 13 43.370 . . 1 . . . . . . . . 6976 1 894 . 1 1 74 74 ARG N N 15 119.453 . . 1 . . . . . . . . 6976 1 895 . 1 1 74 74 ARG NE N 15 84.668 . . 1 . . . . . . . . 6976 1 896 . 1 1 75 75 LEU H H 1 8.273 . . 1 . . . . . . . . 6976 1 897 . 1 1 75 75 LEU HA H 1 4.276 . . 1 . . . . . . . . 6976 1 898 . 1 1 75 75 LEU HB2 H 1 1.535 . . 2 . . . . . . . . 6976 1 899 . 1 1 75 75 LEU HB3 H 1 1.522 . . 2 . . . . . . . . 6976 1 900 . 1 1 75 75 LEU HG H 1 1.527 . . 1 . . . . . . . . 6976 1 901 . 1 1 75 75 LEU HD11 H 1 0.878 . . 1 . . . . . . . . 6976 1 902 . 1 1 75 75 LEU HD12 H 1 0.878 . . 1 . . . . . . . . 6976 1 903 . 1 1 75 75 LEU HD13 H 1 0.878 . . 1 . . . . . . . . 6976 1 904 . 1 1 75 75 LEU HD21 H 1 0.810 . . 1 . . . . . . . . 6976 1 905 . 1 1 75 75 LEU HD22 H 1 0.810 . . 1 . . . . . . . . 6976 1 906 . 1 1 75 75 LEU HD23 H 1 0.810 . . 1 . . . . . . . . 6976 1 907 . 1 1 75 75 LEU C C 13 176.782 . . 1 . . . . . . . . 6976 1 908 . 1 1 75 75 LEU CA C 13 55.065 . . 1 . . . . . . . . 6976 1 909 . 1 1 75 75 LEU CB C 13 42.296 . . 1 . . . . . . . . 6976 1 910 . 1 1 75 75 LEU CG C 13 27.121 . . 1 . . . . . . . . 6976 1 911 . 1 1 75 75 LEU CD1 C 13 24.784 . . 1 . . . . . . . . 6976 1 912 . 1 1 75 75 LEU CD2 C 13 23.540 . . 1 . . . . . . . . 6976 1 913 . 1 1 75 75 LEU N N 15 123.023 . . 1 . . . . . . . . 6976 1 914 . 1 1 76 76 GLU H H 1 8.094 . . 1 . . . . . . . . 6976 1 915 . 1 1 76 76 GLU HA H 1 4.163 . . 1 . . . . . . . . 6976 1 916 . 1 1 76 76 GLU HB2 H 1 1.831 . . 2 . . . . . . . . 6976 1 917 . 1 1 76 76 GLU HB3 H 1 1.795 . . 2 . . . . . . . . 6976 1 918 . 1 1 76 76 GLU HG2 H 1 2.120 . . 2 . . . . . . . . 6976 1 919 . 1 1 76 76 GLU HG3 H 1 2.080 . . 2 . . . . . . . . 6976 1 920 . 1 1 76 76 GLU C C 13 175.414 . . 1 . . . . . . . . 6976 1 921 . 1 1 76 76 GLU CA C 13 55.740 . . 1 . . . . . . . . 6976 1 922 . 1 1 76 76 GLU CB C 13 30.676 . . 1 . . . . . . . . 6976 1 923 . 1 1 76 76 GLU CG C 13 35.912 . . 1 . . . . . . . . 6976 1 924 . 1 1 76 76 GLU N N 15 120.999 . . 1 . . . . . . . . 6976 1 925 . 1 1 77 77 HIS H H 1 8.371 . . 1 . . . . . . . . 6976 1 926 . 1 1 77 77 HIS C C 13 174.361 . . 1 . . . . . . . . 6976 1 927 . 1 1 77 77 HIS CA C 13 54.944 . . 1 . . . . . . . . 6976 1 928 . 1 1 77 77 HIS CB C 13 29.364 . . 1 . . . . . . . . 6976 1 929 . 1 1 77 77 HIS N N 15 119.373 . . 1 . . . . . . . . 6976 1 930 . 1 1 78 78 HIS H H 1 8.854 . . 1 . . . . . . . . 6976 1 931 . 1 1 78 78 HIS C C 13 174.312 . . 1 . . . . . . . . 6976 1 932 . 1 1 78 78 HIS CA C 13 55.326 . . 1 . . . . . . . . 6976 1 933 . 1 1 78 78 HIS CB C 13 29.547 . . 1 . . . . . . . . 6976 1 934 . 1 1 78 78 HIS N N 15 120.612 . . 1 . . . . . . . . 6976 1 935 . 1 1 79 79 HIS H H 1 8.777 . . 1 . . . . . . . . 6976 1 936 . 1 1 79 79 HIS C C 13 174.225 . . 1 . . . . . . . . 6976 1 937 . 1 1 79 79 HIS CA C 13 55.549 . . 1 . . . . . . . . 6976 1 938 . 1 1 79 79 HIS CB C 13 29.447 . . 1 . . . . . . . . 6976 1 939 . 1 1 79 79 HIS N N 15 120.815 . . 1 . . . . . . . . 6976 1 940 . 1 1 80 80 HIS H H 1 8.602 . . 1 . . . . . . . . 6976 1 941 . 1 1 80 80 HIS C C 13 174.328 . . 1 . . . . . . . . 6976 1 942 . 1 1 80 80 HIS CA C 13 55.445 . . 1 . . . . . . . . 6976 1 943 . 1 1 80 80 HIS CB C 13 29.322 . . 1 . . . . . . . . 6976 1 944 . 1 1 80 80 HIS N N 15 120.055 . . 1 . . . . . . . . 6976 1 945 . 1 1 81 81 HIS H H 1 8.642 . . 1 . . . . . . . . 6976 1 946 . 1 1 81 81 HIS CA C 13 55.506 . . 1 . . . . . . . . 6976 1 947 . 1 1 81 81 HIS CB C 13 29.605 . . 1 . . . . . . . . 6976 1 948 . 1 1 81 81 HIS N N 15 120.985 . . 1 . . . . . . . . 6976 1 stop_ save_