data_7225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7225 _Entry.Title ; Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384. (CASP Target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-14 _Entry.Accession_date 2006-07-26 _Entry.Last_release_date . _Entry.Original_release_date . _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 J. Aramini . M. . 7225 2 G. Swapna . V.T. . 7225 3 C. Ho . K. . 7225 4 K. Shetty . . . 7225 5 K. Cunningham . . . 7225 6 L.-C. Ma . . . 7225 7 R. Xiao . . . 7225 8 J. Liu . . . 7225 9 M. Baran . . . 7225 10 T. Acton . B. . 7225 11 B. Rost . . . 7225 12 G. Montelione . T. . 7225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 7225 '15N chemical shifts' 75 7225 '1H chemical shifts' 489 7225 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-07-14 . original author 'original release' 7225 1 . . 2008-07-16 . update BMRB 'update entry citation' 7225 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HEP 'BMRB Entry Tracking System' 7225 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7225 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18431750 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 72 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 526 _Citation.Page_last 530 _Citation.Year 2008 _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 J. Aramini . M. . 7225 1 2 S. Sharma . . . 7225 1 3 Y. Huang . J. . 7225 1 4 G. Swapna . V.T. . 7225 1 5 C. Ho . K. . 7225 1 6 K. Shetty . . . 7225 1 7 K. Cunningham . . . 7225 1 8 L.-C. Ma . . . 7225 1 9 L. Zhao . . . 7225 1 10 L. Owens . A. . 7225 1 11 M. Jiang . . . 7225 1 12 R. Xiao . . . 7225 1 13 J. Liu . . . 7225 1 14 M. Baran . C. . 7225 1 15 T. Acton . B. . 7225 1 16 B. Rost . . . 7225 1 17 G. Montelione . T. . 7225 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AUTOSTRUCTURE 7225 1 NESG 7225 1 'NMR structure' 7225 1 'Northeast Structural Genomics Consortium' 7225 1 'Protein Structure Initiative' 7225 1 PSI-1 7225 1 SR384 7225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7225 _Assembly.ID 1 _Assembly.Name 'UPF0291 protein ynzC' _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 7225 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 'UPF0291 protein ynzC' 1 $ynzC . . . native . . . . . 7225 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 yes PDB 2HEP . . . . . . 7225 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'UPF0291 protein ynzC' abbreviation 7225 1 'UPF0291 protein ynzC' system 7225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ynzC _Entity.Sf_category entity _Entity.Sf_framecode ynzC _Entity.Entry_ID 7225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UPF0291 protein ynzC' _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 ; MISNAKIARINELAAKAKAG VITEEEKAEQQKLRQEYLKG FRSSMKNTLKSVKIIDPEGN DVTPEKLKREQRNNKLHLEH HHHHH ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 BMRB 15476 . SR384-1-46 . . . . . 54.12 54 100.00 100.00 5.26e-22 . . . . 7225 1 2 no PDB 2HEP . "Solution Nmr Structure Of The Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural Genomics Target Sr384" . . . . . 100.00 85 100.00 100.00 6.80e-53 . . . . 7225 1 3 no PDB 2JVD . "Solution Nmr Structure Of The Folded N-Terminal Fragment Of Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural G" . . . . . 54.12 54 100.00 100.00 5.26e-22 . . . . 7225 1 4 no PDB 3BHP . "Crystal Structure Of Upf0291 Protein Ynzc From Bacillus Subtilis At Resolution 2.0 A. Northeast Structural Genomics Consortium " . . . . . 60.00 60 98.04 98.04 2.53e-24 . . . . 7225 1 5 no DBJ BAI85472 . "hypothetical protein BSNT_08369 [Bacillus subtilis subsp. natto BEST195]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 6 no DBJ BAM52440 . "hypothetical protein BEST7613_3509 [Synechocystis sp. PCC 6803]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 7 no DBJ BAM58016 . "hypothetical protein BEST7003_1815 [Bacillus subtilis BEST7003]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 8 no DBJ GAK81555 . "hypothetical protein BSMD_034710 [Bacillus subtilis Miyagi-4]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 9 no EMBL CAB13672 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 10 no EMBL CCU58402 . "hypothetical protein BSUBE1_1771 [Bacillus subtilis E1]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 11 no EMBL CEI56979 . "hypothetical protein BS49_19830 [Bacillus subtilis]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 12 no EMBL CEJ77403 . "hypothetical protein BS34A_19820 [Bacillus sp.]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 13 no GB ADV92690 . "hypothetical protein BSn5_00270 [Bacillus subtilis BSn5]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 14 no GB AEP90959 . "hypothetical protein I33_2000 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 15 no GB AFI28488 . "hypothetical protein MY9_1953 [Bacillus sp. JS]" . . . . . 90.59 77 98.70 100.00 4.40e-46 . . . . 7225 1 16 no GB AFQ57722 . "YnzC [Bacillus subtilis QB928]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 17 no GB AGE63629 . "hypothetical protein C663_1841 [Bacillus subtilis XF-1]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 18 no REF NP_389671 . "hypothetical protein BSU17880 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 19 no REF WP_003231595 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 20 no REF WP_014664125 . "hypothetical protein [Bacillus sp. JS]" . . . . . 90.59 77 98.70 100.00 4.40e-46 . . . . 7225 1 21 no REF WP_019714523 . "hypothetical protein [Bacillus subtilis]" . . . . . 90.59 77 98.70 100.00 5.24e-46 . . . . 7225 1 22 no REF WP_024573193 . "hypothetical protein [Bacillus subtilis]" . . . . . 90.59 77 98.70 100.00 7.75e-46 . . . . 7225 1 23 no SP O31818 . "RecName: Full=UPF0291 protein YnzC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.59 77 100.00 100.00 1.56e-46 . . . . 7225 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UPF0291 protein ynzC' abbreviation 7225 1 'UPF0291 protein ynzC' common 7225 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 . 7225 1 2 . ILE . 7225 1 3 . SER . 7225 1 4 . ASN . 7225 1 5 . ALA . 7225 1 6 . LYS . 7225 1 7 . ILE . 7225 1 8 . ALA . 7225 1 9 . ARG . 7225 1 10 . ILE . 7225 1 11 . ASN . 7225 1 12 . GLU . 7225 1 13 . LEU . 7225 1 14 . ALA . 7225 1 15 . ALA . 7225 1 16 . LYS . 7225 1 17 . ALA . 7225 1 18 . LYS . 7225 1 19 . ALA . 7225 1 20 . GLY . 7225 1 21 . VAL . 7225 1 22 . ILE . 7225 1 23 . THR . 7225 1 24 . GLU . 7225 1 25 . GLU . 7225 1 26 . GLU . 7225 1 27 . LYS . 7225 1 28 . ALA . 7225 1 29 . GLU . 7225 1 30 . GLN . 7225 1 31 . GLN . 7225 1 32 . LYS . 7225 1 33 . LEU . 7225 1 34 . ARG . 7225 1 35 . GLN . 7225 1 36 . GLU . 7225 1 37 . TYR . 7225 1 38 . LEU . 7225 1 39 . LYS . 7225 1 40 . GLY . 7225 1 41 . PHE . 7225 1 42 . ARG . 7225 1 43 . SER . 7225 1 44 . SER . 7225 1 45 . MET . 7225 1 46 . LYS . 7225 1 47 . ASN . 7225 1 48 . THR . 7225 1 49 . LEU . 7225 1 50 . LYS . 7225 1 51 . SER . 7225 1 52 . VAL . 7225 1 53 . LYS . 7225 1 54 . ILE . 7225 1 55 . ILE . 7225 1 56 . ASP . 7225 1 57 . PRO . 7225 1 58 . GLU . 7225 1 59 . GLY . 7225 1 60 . ASN . 7225 1 61 . ASP . 7225 1 62 . VAL . 7225 1 63 . THR . 7225 1 64 . PRO . 7225 1 65 . GLU . 7225 1 66 . LYS . 7225 1 67 . LEU . 7225 1 68 . LYS . 7225 1 69 . ARG . 7225 1 70 . GLU . 7225 1 71 . GLN . 7225 1 72 . ARG . 7225 1 73 . ASN . 7225 1 74 . ASN . 7225 1 75 . LYS . 7225 1 76 . LEU . 7225 1 77 . HIS . 7225 1 78 . LEU . 7225 1 79 . GLU . 7225 1 80 . HIS . 7225 1 81 . HIS . 7225 1 82 . HIS . 7225 1 83 . HIS . 7225 1 84 . HIS . 7225 1 85 . HIS . 7225 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 7225 1 . ILE 2 2 7225 1 . SER 3 3 7225 1 . ASN 4 4 7225 1 . ALA 5 5 7225 1 . LYS 6 6 7225 1 . ILE 7 7 7225 1 . ALA 8 8 7225 1 . ARG 9 9 7225 1 . ILE 10 10 7225 1 . ASN 11 11 7225 1 . GLU 12 12 7225 1 . LEU 13 13 7225 1 . ALA 14 14 7225 1 . ALA 15 15 7225 1 . LYS 16 16 7225 1 . ALA 17 17 7225 1 . LYS 18 18 7225 1 . ALA 19 19 7225 1 . GLY 20 20 7225 1 . VAL 21 21 7225 1 . ILE 22 22 7225 1 . THR 23 23 7225 1 . GLU 24 24 7225 1 . GLU 25 25 7225 1 . GLU 26 26 7225 1 . LYS 27 27 7225 1 . ALA 28 28 7225 1 . GLU 29 29 7225 1 . GLN 30 30 7225 1 . GLN 31 31 7225 1 . LYS 32 32 7225 1 . LEU 33 33 7225 1 . ARG 34 34 7225 1 . GLN 35 35 7225 1 . GLU 36 36 7225 1 . TYR 37 37 7225 1 . LEU 38 38 7225 1 . LYS 39 39 7225 1 . GLY 40 40 7225 1 . PHE 41 41 7225 1 . ARG 42 42 7225 1 . SER 43 43 7225 1 . SER 44 44 7225 1 . MET 45 45 7225 1 . LYS 46 46 7225 1 . ASN 47 47 7225 1 . THR 48 48 7225 1 . LEU 49 49 7225 1 . LYS 50 50 7225 1 . SER 51 51 7225 1 . VAL 52 52 7225 1 . LYS 53 53 7225 1 . ILE 54 54 7225 1 . ILE 55 55 7225 1 . ASP 56 56 7225 1 . PRO 57 57 7225 1 . GLU 58 58 7225 1 . GLY 59 59 7225 1 . ASN 60 60 7225 1 . ASP 61 61 7225 1 . VAL 62 62 7225 1 . THR 63 63 7225 1 . PRO 64 64 7225 1 . GLU 65 65 7225 1 . LYS 66 66 7225 1 . LEU 67 67 7225 1 . LYS 68 68 7225 1 . ARG 69 69 7225 1 . GLU 70 70 7225 1 . GLN 71 71 7225 1 . ARG 72 72 7225 1 . ASN 73 73 7225 1 . ASN 74 74 7225 1 . LYS 75 75 7225 1 . LEU 76 76 7225 1 . HIS 77 77 7225 1 . LEU 78 78 7225 1 . GLU 79 79 7225 1 . HIS 80 80 7225 1 . HIS 81 81 7225 1 . HIS 82 82 7225 1 . HIS 83 83 7225 1 . HIS 84 84 7225 1 . HIS 85 85 7225 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 7225 _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 $ynzC . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7225 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 7225 _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 $ynzC . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7225 _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 'UPF0291 protein ynzC' '[U-13C; U-15N]' . . 1 $ynzC . . 1.12 . . mM . . . . 7225 1 2 MES . . . . . . . 20 . . mM . . . . 7225 1 3 NaCl . . . . . . . 100 . . mM . . . . 7225 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 7225 1 5 DTT . . . . . . . 10 . . mM . . . . 7225 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 7225 1 7 D2O . . . . . . . 5 . . % . . . . 7225 1 8 H2O . . . . . . . 95 . . % . . . . 7225 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7225 _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 'UPF0291 protein ynzC' '[U-5% 13C; U-15N]' . . 1 $ynzC . . 1.12 . . mM . . . . 7225 2 2 MES . . . . . . . 20 . . mM . . . . 7225 2 3 NaCl . . . . . . . 100 . . mM . . . . 7225 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 7225 2 5 DTT . . . . . . . 10 . . mM . . . . 7225 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 7225 2 7 D2O . . . . . . . 5 . . % . . . . 7225 2 8 H2O . . . . . . . 95 . . % . . . . 7225 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 7225 _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 7225 1 pH 6.5 . pH 7225 1 pressure 1 . atm 7225 1 temperature 293 . K 7225 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7225 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7225 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7225 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5pl6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7225 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7225 _Software.ID 3 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7225 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7225 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7225 4 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 7225 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7225 5 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7225 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details 'Clore et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7225 6 stop_ save_ save_AGNUS _Software.Sf_category software _Software.Sf_framecode AGNUS _Software.Entry_ID 7225 _Software.ID 7 _Software.Name AGNUS _Software.Version 2.0 _Software.Details 'Moseley & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7225 7 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 7225 _Software.ID 8 _Software.Name PDBStat _Software.Version 4.01 _Software.Details 'Tejero & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7225 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7225 _Software.ID 9 _Software.Name PSVS _Software.Version 1.2 _Software.Details 'Bhattacharya & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7225 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 7225 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 7225 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 7225 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 4 '3D GFT-CBCACAcoNHN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 5 GFT-HNNCACBCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 6 GFT-HABCABcoNHN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 7 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 8 'CCcoNH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 9 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 10 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 11 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 12 HNcaCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 13 '2D 15N1H-heteronuclear NOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7225 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D GFT-CBCACAcoNHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name GFT-HNNCACBCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name GFT-HABCABcoNHN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'CCcoNH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNcaCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 7225 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 15N1H-heteronuclear NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 7225 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7225 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7225 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7225 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 7225 _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 . 7225 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 2 2 ILE HA H 1 4.344 . . 1 . . . . . . . . 7225 1 2 . 1 1 2 2 ILE HB H 1 1.913 . . 1 . . . . . . . . 7225 1 3 . 1 1 2 2 ILE HG12 H 1 1.574 . . 2 . . . . . . . . 7225 1 4 . 1 1 2 2 ILE HG13 H 1 1.341 . . 2 . . . . . . . . 7225 1 5 . 1 1 2 2 ILE HG21 H 1 0.968 . . 1 . . . . . . . . 7225 1 6 . 1 1 2 2 ILE HG22 H 1 0.968 . . 1 . . . . . . . . 7225 1 7 . 1 1 2 2 ILE HG23 H 1 0.968 . . 1 . . . . . . . . 7225 1 8 . 1 1 2 2 ILE HD11 H 1 0.860 . . 1 . . . . . . . . 7225 1 9 . 1 1 2 2 ILE HD12 H 1 0.860 . . 1 . . . . . . . . 7225 1 10 . 1 1 2 2 ILE HD13 H 1 0.860 . . 1 . . . . . . . . 7225 1 11 . 1 1 2 2 ILE C C 13 174.425 . . 1 . . . . . . . . 7225 1 12 . 1 1 2 2 ILE CA C 13 61.108 . . 1 . . . . . . . . 7225 1 13 . 1 1 2 2 ILE CB C 13 39.238 . . 1 . . . . . . . . 7225 1 14 . 1 1 2 2 ILE CG1 C 13 27.258 . . 1 . . . . . . . . 7225 1 15 . 1 1 2 2 ILE CG2 C 13 17.523 . . 1 . . . . . . . . 7225 1 16 . 1 1 2 2 ILE CD1 C 13 13.978 . . 1 . . . . . . . . 7225 1 17 . 1 1 3 3 SER H H 1 8.095 . . 1 . . . . . . . . 7225 1 18 . 1 1 3 3 SER HA H 1 4.409 . . 1 . . . . . . . . 7225 1 19 . 1 1 3 3 SER HB2 H 1 4.224 . . 2 . . . . . . . . 7225 1 20 . 1 1 3 3 SER HB3 H 1 3.971 . . 2 . . . . . . . . 7225 1 21 . 1 1 3 3 SER C C 13 174.634 . . 1 . . . . . . . . 7225 1 22 . 1 1 3 3 SER CA C 13 57.727 . . 1 . . . . . . . . 7225 1 23 . 1 1 3 3 SER CB C 13 64.797 . . 1 . . . . . . . . 7225 1 24 . 1 1 3 3 SER N N 15 119.131 . . 1 . . . . . . . . 7225 1 25 . 1 1 4 4 ASN HA H 1 4.501 . . 1 . . . . . . . . 7225 1 26 . 1 1 4 4 ASN HB2 H 1 2.831 . . 1 . . . . . . . . 7225 1 27 . 1 1 4 4 ASN HB3 H 1 2.831 . . 1 . . . . . . . . 7225 1 28 . 1 1 4 4 ASN C C 13 177.71 . . 1 . . . . . . . . 7225 1 29 . 1 1 4 4 ASN CA C 13 55.66 . . 1 . . . . . . . . 7225 1 30 . 1 1 4 4 ASN CB C 13 37.92 . . 1 . . . . . . . . 7225 1 31 . 1 1 4 4 ASN ND2 N 15 112.93 . . 1 . . . . . . . . 7225 1 32 . 1 1 4 4 ASN HD21 H 1 7.733 . . 1 . . . . . . . . 7225 1 33 . 1 1 4 4 ASN HD22 H 1 7.014 . . 1 . . . . . . . . 7225 1 34 . 1 1 5 5 ALA HA H 1 4.186 . . 1 . . . . . . . . 7225 1 35 . 1 1 5 5 ALA HB1 H 1 1.426 . . 1 . . . . . . . . 7225 1 36 . 1 1 5 5 ALA HB2 H 1 1.426 . . 1 . . . . . . . . 7225 1 37 . 1 1 5 5 ALA HB3 H 1 1.426 . . 1 . . . . . . . . 7225 1 38 . 1 1 5 5 ALA C C 13 180.561 . . 1 . . . . . . . . 7225 1 39 . 1 1 5 5 ALA CA C 13 54.955 . . 1 . . . . . . . . 7225 1 40 . 1 1 5 5 ALA CB C 13 18.394 . . 1 . . . . . . . . 7225 1 41 . 1 1 6 6 LYS H H 1 7.836 . . 1 . . . . . . . . 7225 1 42 . 1 1 6 6 LYS HA H 1 4.109 . . 1 . . . . . . . . 7225 1 43 . 1 1 6 6 LYS HB2 H 1 2.004 . . 2 . . . . . . . . 7225 1 44 . 1 1 6 6 LYS HB3 H 1 1.717 . . 2 . . . . . . . . 7225 1 45 . 1 1 6 6 LYS HG2 H 1 1.511 . . 2 . . . . . . . . 7225 1 46 . 1 1 6 6 LYS HG3 H 1 1.381 . . 2 . . . . . . . . 7225 1 47 . 1 1 6 6 LYS HD2 H 1 1.718 . . 2 . . . . . . . . 7225 1 48 . 1 1 6 6 LYS HD3 H 1 1.666 . . 2 . . . . . . . . 7225 1 49 . 1 1 6 6 LYS HE2 H 1 2.953 . . 1 . . . . . . . . 7225 1 50 . 1 1 6 6 LYS HE3 H 1 2.953 . . 1 . . . . . . . . 7225 1 51 . 1 1 6 6 LYS C C 13 178.345 . . 1 . . . . . . . . 7225 1 52 . 1 1 6 6 LYS CA C 13 59.567 . . 1 . . . . . . . . 7225 1 53 . 1 1 6 6 LYS CB C 13 32.772 . . 1 . . . . . . . . 7225 1 54 . 1 1 6 6 LYS CG C 13 26.818 . . 1 . . . . . . . . 7225 1 55 . 1 1 6 6 LYS CD C 13 29.448 . . 1 . . . . . . . . 7225 1 56 . 1 1 6 6 LYS CE C 13 42.237 . . 1 . . . . . . . . 7225 1 57 . 1 1 6 6 LYS N N 15 119.974 . . 1 . . . . . . . . 7225 1 58 . 1 1 7 7 ILE H H 1 7.905 . . 1 . . . . . . . . 7225 1 59 . 1 1 7 7 ILE HA H 1 3.593 . . 1 . . . . . . . . 7225 1 60 . 1 1 7 7 ILE HB H 1 1.923 . . 1 . . . . . . . . 7225 1 61 . 1 1 7 7 ILE HG12 H 1 1.658 . . 2 . . . . . . . . 7225 1 62 . 1 1 7 7 ILE HG13 H 1 1.082 . . 2 . . . . . . . . 7225 1 63 . 1 1 7 7 ILE HG21 H 1 0.878 . . 1 . . . . . . . . 7225 1 64 . 1 1 7 7 ILE HG22 H 1 0.878 . . 1 . . . . . . . . 7225 1 65 . 1 1 7 7 ILE HG23 H 1 0.878 . . 1 . . . . . . . . 7225 1 66 . 1 1 7 7 ILE HD11 H 1 0.856 . . 1 . . . . . . . . 7225 1 67 . 1 1 7 7 ILE HD12 H 1 0.856 . . 1 . . . . . . . . 7225 1 68 . 1 1 7 7 ILE HD13 H 1 0.856 . . 1 . . . . . . . . 7225 1 69 . 1 1 7 7 ILE C C 13 177.768 . . 1 . . . . . . . . 7225 1 70 . 1 1 7 7 ILE CA C 13 64.532 . . 1 . . . . . . . . 7225 1 71 . 1 1 7 7 ILE CB C 13 37.655 . . 1 . . . . . . . . 7225 1 72 . 1 1 7 7 ILE CG1 C 13 29.078 . . 1 . . . . . . . . 7225 1 73 . 1 1 7 7 ILE CG2 C 13 17.282 . . 1 . . . . . . . . 7225 1 74 . 1 1 7 7 ILE CD1 C 13 12.632 . . 1 . . . . . . . . 7225 1 75 . 1 1 7 7 ILE N N 15 120.562 . . 1 . . . . . . . . 7225 1 76 . 1 1 8 8 ALA H H 1 8.072 . . 1 . . . . . . . . 7225 1 77 . 1 1 8 8 ALA HA H 1 4.158 . . 1 . . . . . . . . 7225 1 78 . 1 1 8 8 ALA HB1 H 1 1.467 . . 1 . . . . . . . . 7225 1 79 . 1 1 8 8 ALA HB2 H 1 1.467 . . 1 . . . . . . . . 7225 1 80 . 1 1 8 8 ALA HB3 H 1 1.467 . . 1 . . . . . . . . 7225 1 81 . 1 1 8 8 ALA C C 13 180.639 . . 1 . . . . . . . . 7225 1 82 . 1 1 8 8 ALA CA C 13 55.098 . . 1 . . . . . . . . 7225 1 83 . 1 1 8 8 ALA CB C 13 17.539 . . 1 . . . . . . . . 7225 1 84 . 1 1 8 8 ALA N N 15 121.450 . . 1 . . . . . . . . 7225 1 85 . 1 1 9 9 ARG H H 1 7.771 . . 1 . . . . . . . . 7225 1 86 . 1 1 9 9 ARG HA H 1 4.219 . . 1 . . . . . . . . 7225 1 87 . 1 1 9 9 ARG HB2 H 1 2.242 . . 2 . . . . . . . . 7225 1 88 . 1 1 9 9 ARG HB3 H 1 1.963 . . 2 . . . . . . . . 7225 1 89 . 1 1 9 9 ARG HG2 H 1 1.832 . . 2 . . . . . . . . 7225 1 90 . 1 1 9 9 ARG HG3 H 1 1.443 . . 2 . . . . . . . . 7225 1 91 . 1 1 9 9 ARG HD2 H 1 3.450 . . 2 . . . . . . . . 7225 1 92 . 1 1 9 9 ARG HD3 H 1 2.975 . . 2 . . . . . . . . 7225 1 93 . 1 1 9 9 ARG C C 13 178.081 . . 1 . . . . . . . . 7225 1 94 . 1 1 9 9 ARG CA C 13 57.453 . . 1 . . . . . . . . 7225 1 95 . 1 1 9 9 ARG CB C 13 29.659 . . 1 . . . . . . . . 7225 1 96 . 1 1 9 9 ARG CG C 13 26.140 . . 1 . . . . . . . . 7225 1 97 . 1 1 9 9 ARG CD C 13 43.182 . . 1 . . . . . . . . 7225 1 98 . 1 1 9 9 ARG N N 15 120.748 . . 1 . . . . . . . . 7225 1 99 . 1 1 10 10 ILE H H 1 8.472 . . 1 . . . . . . . . 7225 1 100 . 1 1 10 10 ILE HA H 1 3.564 . . 1 . . . . . . . . 7225 1 101 . 1 1 10 10 ILE HB H 1 2.034 . . 1 . . . . . . . . 7225 1 102 . 1 1 10 10 ILE HG12 H 1 1.900 . . 2 . . . . . . . . 7225 1 103 . 1 1 10 10 ILE HG13 H 1 0.903 . . 2 . . . . . . . . 7225 1 104 . 1 1 10 10 ILE HG21 H 1 0.780 . . 1 . . . . . . . . 7225 1 105 . 1 1 10 10 ILE HG22 H 1 0.780 . . 1 . . . . . . . . 7225 1 106 . 1 1 10 10 ILE HG23 H 1 0.780 . . 1 . . . . . . . . 7225 1 107 . 1 1 10 10 ILE HD11 H 1 0.667 . . 1 . . . . . . . . 7225 1 108 . 1 1 10 10 ILE HD12 H 1 0.667 . . 1 . . . . . . . . 7225 1 109 . 1 1 10 10 ILE HD13 H 1 0.667 . . 1 . . . . . . . . 7225 1 110 . 1 1 10 10 ILE C C 13 179.273 . . 1 . . . . . . . . 7225 1 111 . 1 1 10 10 ILE CA C 13 66.444 . . 1 . . . . . . . . 7225 1 112 . 1 1 10 10 ILE CB C 13 37.853 . . 1 . . . . . . . . 7225 1 113 . 1 1 10 10 ILE CG1 C 13 31.298 . . 1 . . . . . . . . 7225 1 114 . 1 1 10 10 ILE CG2 C 13 16.622 . . 1 . . . . . . . . 7225 1 115 . 1 1 10 10 ILE CD1 C 13 13.412 . . 1 . . . . . . . . 7225 1 116 . 1 1 10 10 ILE N N 15 121.536 . . 1 . . . . . . . . 7225 1 117 . 1 1 11 11 ASN H H 1 8.159 . . 1 . . . . . . . . 7225 1 118 . 1 1 11 11 ASN HA H 1 4.487 . . 1 . . . . . . . . 7225 1 119 . 1 1 11 11 ASN HB2 H 1 2.885 . . 2 . . . . . . . . 7225 1 120 . 1 1 11 11 ASN HB3 H 1 2.788 . . 2 . . . . . . . . 7225 1 121 . 1 1 11 11 ASN C C 13 178.141 . . 1 . . . . . . . . 7225 1 122 . 1 1 11 11 ASN CA C 13 55.996 . . 1 . . . . . . . . 7225 1 123 . 1 1 11 11 ASN CB C 13 37.818 . . 1 . . . . . . . . 7225 1 124 . 1 1 11 11 ASN N N 15 119.327 . . 1 . . . . . . . . 7225 1 125 . 1 1 11 11 ASN ND2 N 15 112.12 . . 1 . . . . . . . . 7225 1 126 . 1 1 11 11 ASN HD21 H 1 7.549 . . 1 . . . . . . . . 7225 1 127 . 1 1 11 11 ASN HD22 H 1 6.890 . . 1 . . . . . . . . 7225 1 128 . 1 1 12 12 GLU H H 1 8.541 . . 1 . . . . . . . . 7225 1 129 . 1 1 12 12 GLU HA H 1 4.108 . . 1 . . . . . . . . 7225 1 130 . 1 1 12 12 GLU HB2 H 1 2.251 . . 2 . . . . . . . . 7225 1 131 . 1 1 12 12 GLU HB3 H 1 2.180 . . 2 . . . . . . . . 7225 1 132 . 1 1 12 12 GLU HG2 H 1 2.366 . . 2 . . . . . . . . 7225 1 133 . 1 1 12 12 GLU HG3 H 1 1.988 . . 2 . . . . . . . . 7225 1 134 . 1 1 12 12 GLU C C 13 179.656 . . 1 . . . . . . . . 7225 1 135 . 1 1 12 12 GLU CA C 13 59.314 . . 1 . . . . . . . . 7225 1 136 . 1 1 12 12 GLU CB C 13 30.116 . . 1 . . . . . . . . 7225 1 137 . 1 1 12 12 GLU CG C 13 35.992 . . 1 . . . . . . . . 7225 1 138 . 1 1 12 12 GLU N N 15 124.737 . . 1 . . . . . . . . 7225 1 139 . 1 1 13 13 LEU H H 1 8.679 . . 1 . . . . . . . . 7225 1 140 . 1 1 13 13 LEU HA H 1 3.936 . . 1 . . . . . . . . 7225 1 141 . 1 1 13 13 LEU HB2 H 1 1.929 . . 2 . . . . . . . . 7225 1 142 . 1 1 13 13 LEU HB3 H 1 1.186 . . 2 . . . . . . . . 7225 1 143 . 1 1 13 13 LEU HG H 1 1.759 . . 1 . . . . . . . . 7225 1 144 . 1 1 13 13 LEU HD11 H 1 0.759 . . 1 . . . . . . . . 7225 1 145 . 1 1 13 13 LEU HD12 H 1 0.759 . . 1 . . . . . . . . 7225 1 146 . 1 1 13 13 LEU HD13 H 1 0.759 . . 1 . . . . . . . . 7225 1 147 . 1 1 13 13 LEU HD21 H 1 0.734 . . 1 . . . . . . . . 7225 1 148 . 1 1 13 13 LEU HD22 H 1 0.734 . . 1 . . . . . . . . 7225 1 149 . 1 1 13 13 LEU HD23 H 1 0.734 . . 1 . . . . . . . . 7225 1 150 . 1 1 13 13 LEU C C 13 178.464 . . 1 . . . . . . . . 7225 1 151 . 1 1 13 13 LEU CA C 13 57.889 . . 1 . . . . . . . . 7225 1 152 . 1 1 13 13 LEU CB C 13 41.183 . . 1 . . . . . . . . 7225 1 153 . 1 1 13 13 LEU CG C 13 26.772 . . 1 . . . . . . . . 7225 1 154 . 1 1 13 13 LEU CD1 C 13 25.621 . . 1 . . . . . . . . 7225 1 155 . 1 1 13 13 LEU CD2 C 13 21.621 . . 1 . . . . . . . . 7225 1 156 . 1 1 13 13 LEU N N 15 119.465 . . 1 . . . . . . . . 7225 1 157 . 1 1 14 14 ALA H H 1 8.332 . . 1 . . . . . . . . 7225 1 158 . 1 1 14 14 ALA HA H 1 4.067 . . 1 . . . . . . . . 7225 1 159 . 1 1 14 14 ALA HB1 H 1 1.519 . . 1 . . . . . . . . 7225 1 160 . 1 1 14 14 ALA HB2 H 1 1.519 . . 1 . . . . . . . . 7225 1 161 . 1 1 14 14 ALA HB3 H 1 1.519 . . 1 . . . . . . . . 7225 1 162 . 1 1 14 14 ALA C C 13 180.884 . . 1 . . . . . . . . 7225 1 163 . 1 1 14 14 ALA CA C 13 55.077 . . 1 . . . . . . . . 7225 1 164 . 1 1 14 14 ALA CB C 13 17.864 . . 1 . . . . . . . . 7225 1 165 . 1 1 14 14 ALA N N 15 122.268 . . 1 . . . . . . . . 7225 1 166 . 1 1 15 15 ALA H H 1 7.788 . . 1 . . . . . . . . 7225 1 167 . 1 1 15 15 ALA HA H 1 4.176 . . 1 . . . . . . . . 7225 1 168 . 1 1 15 15 ALA HB1 H 1 1.532 . . 1 . . . . . . . . 7225 1 169 . 1 1 15 15 ALA HB2 H 1 1.532 . . 1 . . . . . . . . 7225 1 170 . 1 1 15 15 ALA HB3 H 1 1.532 . . 1 . . . . . . . . 7225 1 171 . 1 1 15 15 ALA C C 13 181.250 . . 1 . . . . . . . . 7225 1 172 . 1 1 15 15 ALA CA C 13 55.126 . . 1 . . . . . . . . 7225 1 173 . 1 1 15 15 ALA CB C 13 17.754 . . 1 . . . . . . . . 7225 1 174 . 1 1 15 15 ALA N N 15 121.815 . . 1 . . . . . . . . 7225 1 175 . 1 1 16 16 LYS H H 1 7.970 . . 1 . . . . . . . . 7225 1 176 . 1 1 16 16 LYS HA H 1 4.023 . . 1 . . . . . . . . 7225 1 177 . 1 1 16 16 LYS HB2 H 1 1.890 . . 2 . . . . . . . . 7225 1 178 . 1 1 16 16 LYS HB3 H 1 1.499 . . 2 . . . . . . . . 7225 1 179 . 1 1 16 16 LYS HG2 H 1 1.763 . . 2 . . . . . . . . 7225 1 180 . 1 1 16 16 LYS HG3 H 1 1.310 . . 2 . . . . . . . . 7225 1 181 . 1 1 16 16 LYS HD2 H 1 1.677 . . 2 . . . . . . . . 7225 1 182 . 1 1 16 16 LYS HD3 H 1 1.535 . . 2 . . . . . . . . 7225 1 183 . 1 1 16 16 LYS HE2 H 1 2.919 . . 1 . . . . . . . . 7225 1 184 . 1 1 16 16 LYS HE3 H 1 2.833 . . 2 . . . . . . . . 7225 1 185 . 1 1 16 16 LYS C C 13 179.098 . . 1 . . . . . . . . 7225 1 186 . 1 1 16 16 LYS CA C 13 59.792 . . 1 . . . . . . . . 7225 1 187 . 1 1 16 16 LYS CB C 13 32.799 . . 1 . . . . . . . . 7225 1 188 . 1 1 16 16 LYS CG C 13 26.126 . . 1 . . . . . . . . 7225 1 189 . 1 1 16 16 LYS CD C 13 29.890 . . 1 . . . . . . . . 7225 1 190 . 1 1 16 16 LYS CE C 13 42.040 . . 1 . . . . . . . . 7225 1 191 . 1 1 16 16 LYS N N 15 120.063 . . 1 . . . . . . . . 7225 1 192 . 1 1 17 17 ALA H H 1 8.528 . . 1 . . . . . . . . 7225 1 193 . 1 1 17 17 ALA HA H 1 4.011 . . 1 . . . . . . . . 7225 1 194 . 1 1 17 17 ALA HB1 H 1 1.563 . . 1 . . . . . . . . 7225 1 195 . 1 1 17 17 ALA HB2 H 1 1.563 . . 1 . . . . . . . . 7225 1 196 . 1 1 17 17 ALA HB3 H 1 1.563 . . 1 . . . . . . . . 7225 1 197 . 1 1 17 17 ALA C C 13 181.133 . . 1 . . . . . . . . 7225 1 198 . 1 1 17 17 ALA CA C 13 55.018 . . 1 . . . . . . . . 7225 1 199 . 1 1 17 17 ALA CB C 13 17.902 . . 1 . . . . . . . . 7225 1 200 . 1 1 17 17 ALA N N 15 123.107 . . 1 . . . . . . . . 7225 1 201 . 1 1 18 18 LYS H H 1 8.127 . . 1 . . . . . . . . 7225 1 202 . 1 1 18 18 LYS HA H 1 4.047 . . 1 . . . . . . . . 7225 1 203 . 1 1 18 18 LYS HB2 H 1 1.925 . . 1 . . . . . . . . 7225 1 204 . 1 1 18 18 LYS HB3 H 1 1.925 . . 1 . . . . . . . . 7225 1 205 . 1 1 18 18 LYS HG2 H 1 1.533 . . 2 . . . . . . . . 7225 1 206 . 1 1 18 18 LYS HG3 H 1 1.454 . . 2 . . . . . . . . 7225 1 207 . 1 1 18 18 LYS HD2 H 1 1.675 . . 1 . . . . . . . . 7225 1 208 . 1 1 18 18 LYS HD3 H 1 1.675 . . 1 . . . . . . . . 7225 1 209 . 1 1 18 18 LYS HE2 H 1 2.957 . . 1 . . . . . . . . 7225 1 210 . 1 1 18 18 LYS HE3 H 1 2.957 . . 1 . . . . . . . . 7225 1 211 . 1 1 18 18 LYS C C 13 177.977 . . 1 . . . . . . . . 7225 1 212 . 1 1 18 18 LYS CA C 13 59.041 . . 1 . . . . . . . . 7225 1 213 . 1 1 18 18 LYS CB C 13 32.452 . . 1 . . . . . . . . 7225 1 214 . 1 1 18 18 LYS CG C 13 25.057 . . 1 . . . . . . . . 7225 1 215 . 1 1 18 18 LYS CD C 13 29.272 . . 1 . . . . . . . . 7225 1 216 . 1 1 18 18 LYS CE C 13 42.155 . . 1 . . . . . . . . 7225 1 217 . 1 1 18 18 LYS N N 15 120.940 . . 1 . . . . . . . . 7225 1 218 . 1 1 19 19 ALA H H 1 7.658 . . 1 . . . . . . . . 7225 1 219 . 1 1 19 19 ALA HA H 1 4.346 . . 1 . . . . . . . . 7225 1 220 . 1 1 19 19 ALA HB1 H 1 1.532 . . 1 . . . . . . . . 7225 1 221 . 1 1 19 19 ALA HB2 H 1 1.532 . . 1 . . . . . . . . 7225 1 222 . 1 1 19 19 ALA HB3 H 1 1.532 . . 1 . . . . . . . . 7225 1 223 . 1 1 19 19 ALA C C 13 177.743 . . 1 . . . . . . . . 7225 1 224 . 1 1 19 19 ALA CA C 13 52.497 . . 1 . . . . . . . . 7225 1 225 . 1 1 19 19 ALA CB C 13 19.521 . . 1 . . . . . . . . 7225 1 226 . 1 1 19 19 ALA N N 15 118.220 . . 1 . . . . . . . . 7225 1 227 . 1 1 20 20 GLY H H 1 7.753 . . 1 . . . . . . . . 7225 1 228 . 1 1 20 20 GLY HA2 H 1 4.167 . . 2 . . . . . . . . 7225 1 229 . 1 1 20 20 GLY HA3 H 1 3.941 . . 2 . . . . . . . . 7225 1 230 . 1 1 20 20 GLY C C 13 175.025 . . 1 . . . . . . . . 7225 1 231 . 1 1 20 20 GLY CA C 13 45.938 . . 1 . . . . . . . . 7225 1 232 . 1 1 20 20 GLY N N 15 106.044 . . 1 . . . . . . . . 7225 1 233 . 1 1 21 21 VAL H H 1 7.674 . . 1 . . . . . . . . 7225 1 234 . 1 1 21 21 VAL HA H 1 4.604 . . 1 . . . . . . . . 7225 1 235 . 1 1 21 21 VAL HB H 1 2.414 . . 1 . . . . . . . . 7225 1 236 . 1 1 21 21 VAL HG11 H 1 0.845 . . 1 . . . . . . . . 7225 1 237 . 1 1 21 21 VAL HG12 H 1 0.845 . . 1 . . . . . . . . 7225 1 238 . 1 1 21 21 VAL HG13 H 1 0.845 . . 1 . . . . . . . . 7225 1 239 . 1 1 21 21 VAL HG21 H 1 0.847 . . 1 . . . . . . . . 7225 1 240 . 1 1 21 21 VAL HG22 H 1 0.847 . . 1 . . . . . . . . 7225 1 241 . 1 1 21 21 VAL HG23 H 1 0.847 . . 1 . . . . . . . . 7225 1 242 . 1 1 21 21 VAL C C 13 175.851 . . 1 . . . . . . . . 7225 1 243 . 1 1 21 21 VAL CA C 13 60.306 . . 1 . . . . . . . . 7225 1 244 . 1 1 21 21 VAL CB C 13 32.552 . . 1 . . . . . . . . 7225 1 245 . 1 1 21 21 VAL CG1 C 13 20.967 . . 1 . . . . . . . . 7225 1 246 . 1 1 21 21 VAL CG2 C 13 18.760 . . 1 . . . . . . . . 7225 1 247 . 1 1 21 21 VAL N N 15 109.667 . . 1 . . . . . . . . 7225 1 248 . 1 1 22 22 ILE H H 1 6.836 . . 1 . . . . . . . . 7225 1 249 . 1 1 22 22 ILE HA H 1 4.344 . . 1 . . . . . . . . 7225 1 250 . 1 1 22 22 ILE HB H 1 1.273 . . 1 . . . . . . . . 7225 1 251 . 1 1 22 22 ILE HG12 H 1 1.783 . . 2 . . . . . . . . 7225 1 252 . 1 1 22 22 ILE HG13 H 1 1.614 . . 2 . . . . . . . . 7225 1 253 . 1 1 22 22 ILE HG21 H 1 0.857 . . 1 . . . . . . . . 7225 1 254 . 1 1 22 22 ILE HG22 H 1 0.857 . . 1 . . . . . . . . 7225 1 255 . 1 1 22 22 ILE HG23 H 1 0.857 . . 1 . . . . . . . . 7225 1 256 . 1 1 22 22 ILE HD11 H 1 0.795 . . 1 . . . . . . . . 7225 1 257 . 1 1 22 22 ILE HD12 H 1 0.795 . . 1 . . . . . . . . 7225 1 258 . 1 1 22 22 ILE HD13 H 1 0.795 . . 1 . . . . . . . . 7225 1 259 . 1 1 22 22 ILE C C 13 174.149 . . 1 . . . . . . . . 7225 1 260 . 1 1 22 22 ILE CA C 13 61.241 . . 1 . . . . . . . . 7225 1 261 . 1 1 22 22 ILE CB C 13 40.159 . . 1 . . . . . . . . 7225 1 262 . 1 1 22 22 ILE CG1 C 13 30.569 . . 1 . . . . . . . . 7225 1 263 . 1 1 22 22 ILE CG2 C 13 15.687 . . 1 . . . . . . . . 7225 1 264 . 1 1 22 22 ILE CD1 C 13 13.816 . . 1 . . . . . . . . 7225 1 265 . 1 1 22 22 ILE N N 15 124.006 . . 1 . . . . . . . . 7225 1 266 . 1 1 23 23 THR H H 1 9.113 . . 1 . . . . . . . . 7225 1 267 . 1 1 23 23 THR HA H 1 4.591 . . 1 . . . . . . . . 7225 1 268 . 1 1 23 23 THR HB H 1 4.796 . . 1 . . . . . . . . 7225 1 269 . 1 1 23 23 THR HG21 H 1 1.310 . . 1 . . . . . . . . 7225 1 270 . 1 1 23 23 THR HG22 H 1 1.310 . . 1 . . . . . . . . 7225 1 271 . 1 1 23 23 THR HG23 H 1 1.310 . . 1 . . . . . . . . 7225 1 272 . 1 1 23 23 THR C C 13 175.807 . . 1 . . . . . . . . 7225 1 273 . 1 1 23 23 THR CA C 13 60.983 . . 1 . . . . . . . . 7225 1 274 . 1 1 23 23 THR CB C 13 71.518 . . 1 . . . . . . . . 7225 1 275 . 1 1 23 23 THR CG2 C 13 21.630 . . 1 . . . . . . . . 7225 1 276 . 1 1 23 23 THR N N 15 120.169 . . 1 . . . . . . . . 7225 1 277 . 1 1 24 24 GLU H H 1 9.020 . . 1 . . . . . . . . 7225 1 278 . 1 1 24 24 GLU HA H 1 3.958 . . 1 . . . . . . . . 7225 1 279 . 1 1 24 24 GLU HB2 H 1 2.080 . . 2 . . . . . . . . 7225 1 280 . 1 1 24 24 GLU HB3 H 1 2.049 . . 2 . . . . . . . . 7225 1 281 . 1 1 24 24 GLU HG2 H 1 2.399 . . 1 . . . . . . . . 7225 1 282 . 1 1 24 24 GLU HG3 H 1 2.399 . . 1 . . . . . . . . 7225 1 283 . 1 1 24 24 GLU C C 13 179.997 . . 1 . . . . . . . . 7225 1 284 . 1 1 24 24 GLU CA C 13 59.991 . . 1 . . . . . . . . 7225 1 285 . 1 1 24 24 GLU CB C 13 29.159 . . 1 . . . . . . . . 7225 1 286 . 1 1 24 24 GLU CG C 13 36.327 . . 1 . . . . . . . . 7225 1 287 . 1 1 24 24 GLU N N 15 120.248 . . 1 . . . . . . . . 7225 1 288 . 1 1 25 25 GLU H H 1 8.925 . . 1 . . . . . . . . 7225 1 289 . 1 1 25 25 GLU HA H 1 4.106 . . 1 . . . . . . . . 7225 1 290 . 1 1 25 25 GLU HB2 H 1 2.043 . . 2 . . . . . . . . 7225 1 291 . 1 1 25 25 GLU HB3 H 1 1.952 . . 2 . . . . . . . . 7225 1 292 . 1 1 25 25 GLU HG2 H 1 2.396 . . 2 . . . . . . . . 7225 1 293 . 1 1 25 25 GLU HG3 H 1 2.302 . . 2 . . . . . . . . 7225 1 294 . 1 1 25 25 GLU C C 13 180.177 . . 1 . . . . . . . . 7225 1 295 . 1 1 25 25 GLU CA C 13 60.072 . . 1 . . . . . . . . 7225 1 296 . 1 1 25 25 GLU CB C 13 29.181 . . 1 . . . . . . . . 7225 1 297 . 1 1 25 25 GLU CG C 13 36.800 . . 1 . . . . . . . . 7225 1 298 . 1 1 25 25 GLU N N 15 120.722 . . 1 . . . . . . . . 7225 1 299 . 1 1 26 26 GLU H H 1 7.842 . . 1 . . . . . . . . 7225 1 300 . 1 1 26 26 GLU HA H 1 4.070 . . 1 . . . . . . . . 7225 1 301 . 1 1 26 26 GLU HB2 H 1 2.449 . . 2 . . . . . . . . 7225 1 302 . 1 1 26 26 GLU HB3 H 1 1.727 . . 2 . . . . . . . . 7225 1 303 . 1 1 26 26 GLU HG2 H 1 2.343 . . 2 . . . . . . . . 7225 1 304 . 1 1 26 26 GLU HG3 H 1 2.055 . . 2 . . . . . . . . 7225 1 305 . 1 1 26 26 GLU C C 13 179.118 . . 1 . . . . . . . . 7225 1 306 . 1 1 26 26 GLU CA C 13 58.695 . . 1 . . . . . . . . 7225 1 307 . 1 1 26 26 GLU CB C 13 30.552 . . 1 . . . . . . . . 7225 1 308 . 1 1 26 26 GLU CG C 13 37.561 . . 1 . . . . . . . . 7225 1 309 . 1 1 26 26 GLU N N 15 121.997 . . 1 . . . . . . . . 7225 1 310 . 1 1 27 27 LYS H H 1 8.662 . . 1 . . . . . . . . 7225 1 311 . 1 1 27 27 LYS HA H 1 3.959 . . 1 . . . . . . . . 7225 1 312 . 1 1 27 27 LYS HB2 H 1 1.933 . . 2 . . . . . . . . 7225 1 313 . 1 1 27 27 LYS HB3 H 1 1.897 . . 2 . . . . . . . . 7225 1 314 . 1 1 27 27 LYS HG2 H 1 1.656 . . 2 . . . . . . . . 7225 1 315 . 1 1 27 27 LYS HG3 H 1 1.375 . . 2 . . . . . . . . 7225 1 316 . 1 1 27 27 LYS HD2 H 1 1.637 . . 1 . . . . . . . . 7225 1 317 . 1 1 27 27 LYS HD3 H 1 1.637 . . 1 . . . . . . . . 7225 1 318 . 1 1 27 27 LYS HE2 H 1 2.849 . . 2 . . . . . . . . 7225 1 319 . 1 1 27 27 LYS HE3 H 1 2.780 . . 2 . . . . . . . . 7225 1 320 . 1 1 27 27 LYS C C 13 179.764 . . 1 . . . . . . . . 7225 1 321 . 1 1 27 27 LYS CA C 13 60.249 . . 1 . . . . . . . . 7225 1 322 . 1 1 27 27 LYS CB C 13 32.602 . . 1 . . . . . . . . 7225 1 323 . 1 1 27 27 LYS CG C 13 26.023 . . 1 . . . . . . . . 7225 1 324 . 1 1 27 27 LYS CD C 13 29.838 . . 1 . . . . . . . . 7225 1 325 . 1 1 27 27 LYS CE C 13 42.025 . . 1 . . . . . . . . 7225 1 326 . 1 1 27 27 LYS N N 15 121.341 . . 1 . . . . . . . . 7225 1 327 . 1 1 28 28 ALA H H 1 7.643 . . 1 . . . . . . . . 7225 1 328 . 1 1 28 28 ALA HA H 1 4.215 . . 1 . . . . . . . . 7225 1 329 . 1 1 28 28 ALA HB1 H 1 1.525 . . 1 . . . . . . . . 7225 1 330 . 1 1 28 28 ALA HB2 H 1 1.525 . . 1 . . . . . . . . 7225 1 331 . 1 1 28 28 ALA HB3 H 1 1.525 . . 1 . . . . . . . . 7225 1 332 . 1 1 28 28 ALA C C 13 180.519 . . 1 . . . . . . . . 7225 1 333 . 1 1 28 28 ALA CA C 13 55.043 . . 1 . . . . . . . . 7225 1 334 . 1 1 28 28 ALA CB C 13 17.715 . . 1 . . . . . . . . 7225 1 335 . 1 1 28 28 ALA N N 15 122.708 . . 1 . . . . . . . . 7225 1 336 . 1 1 29 29 GLU H H 1 7.912 . . 1 . . . . . . . . 7225 1 337 . 1 1 29 29 GLU HA H 1 3.958 . . 1 . . . . . . . . 7225 1 338 . 1 1 29 29 GLU HB2 H 1 2.251 . . 2 . . . . . . . . 7225 1 339 . 1 1 29 29 GLU HB3 H 1 2.035 . . 2 . . . . . . . . 7225 1 340 . 1 1 29 29 GLU HG2 H 1 2.372 . . 2 . . . . . . . . 7225 1 341 . 1 1 29 29 GLU HG3 H 1 2.025 . . 2 . . . . . . . . 7225 1 342 . 1 1 29 29 GLU C C 13 178.152 . . 1 . . . . . . . . 7225 1 343 . 1 1 29 29 GLU CA C 13 59.304 . . 1 . . . . . . . . 7225 1 344 . 1 1 29 29 GLU CB C 13 29.504 . . 1 . . . . . . . . 7225 1 345 . 1 1 29 29 GLU CG C 13 35.136 . . 1 . . . . . . . . 7225 1 346 . 1 1 29 29 GLU N N 15 122.762 . . 1 . . . . . . . . 7225 1 347 . 1 1 30 30 GLN H H 1 8.901 . . 1 . . . . . . . . 7225 1 348 . 1 1 30 30 GLN HA H 1 3.797 . . 1 . . . . . . . . 7225 1 349 . 1 1 30 30 GLN HB2 H 1 2.384 . . 2 . . . . . . . . 7225 1 350 . 1 1 30 30 GLN HB3 H 1 2.084 . . 2 . . . . . . . . 7225 1 351 . 1 1 30 30 GLN HG2 H 1 2.339 . . 2 . . . . . . . . 7225 1 352 . 1 1 30 30 GLN HG3 H 1 2.179 . . 2 . . . . . . . . 7225 1 353 . 1 1 30 30 GLN HE21 H 1 7.672 . . 1 . . . . . . . . 7225 1 354 . 1 1 30 30 GLN HE22 H 1 6.153 . . 1 . . . . . . . . 7225 1 355 . 1 1 30 30 GLN C C 13 177.801 . . 1 . . . . . . . . 7225 1 356 . 1 1 30 30 GLN CA C 13 59.680 . . 1 . . . . . . . . 7225 1 357 . 1 1 30 30 GLN CB C 13 29.431 . . 1 . . . . . . . . 7225 1 358 . 1 1 30 30 GLN CG C 13 33.710 . . 1 . . . . . . . . 7225 1 359 . 1 1 30 30 GLN N N 15 119.305 . . 1 . . . . . . . . 7225 1 360 . 1 1 30 30 GLN NE2 N 15 108.468 . . 1 . . . . . . . . 7225 1 361 . 1 1 31 31 GLN H H 1 7.872 . . 1 . . . . . . . . 7225 1 362 . 1 1 31 31 GLN HA H 1 4.079 . . 1 . . . . . . . . 7225 1 363 . 1 1 31 31 GLN HB2 H 1 2.197 . . 2 . . . . . . . . 7225 1 364 . 1 1 31 31 GLN HB3 H 1 2.193 . . 2 . . . . . . . . 7225 1 365 . 1 1 31 31 GLN HG2 H 1 2.486 . . 1 . . . . . . . . 7225 1 366 . 1 1 31 31 GLN HG3 H 1 2.486 . . 1 . . . . . . . . 7225 1 367 . 1 1 31 31 GLN C C 13 178.365 . . 1 . . . . . . . . 7225 1 368 . 1 1 31 31 GLN CA C 13 58.903 . . 1 . . . . . . . . 7225 1 369 . 1 1 31 31 GLN CB C 13 28.339 . . 1 . . . . . . . . 7225 1 370 . 1 1 31 31 GLN CG C 13 33.658 . . 1 . . . . . . . . 7225 1 371 . 1 1 31 31 GLN N N 15 118.003 . . 1 . . . . . . . . 7225 1 372 . 1 1 32 32 LYS H H 1 7.737 . . 1 . . . . . . . . 7225 1 373 . 1 1 32 32 LYS HA H 1 4.085 . . 1 . . . . . . . . 7225 1 374 . 1 1 32 32 LYS HB2 H 1 1.993 . . 2 . . . . . . . . 7225 1 375 . 1 1 32 32 LYS HB3 H 1 1.987 . . 2 . . . . . . . . 7225 1 376 . 1 1 32 32 LYS HG2 H 1 1.586 . . 2 . . . . . . . . 7225 1 377 . 1 1 32 32 LYS HG3 H 1 1.417 . . 2 . . . . . . . . 7225 1 378 . 1 1 32 32 LYS HD2 H 1 1.687 . . 1 . . . . . . . . 7225 1 379 . 1 1 32 32 LYS HD3 H 1 1.687 . . 1 . . . . . . . . 7225 1 380 . 1 1 32 32 LYS HE2 H 1 2.963 . . 1 . . . . . . . . 7225 1 381 . 1 1 32 32 LYS HE3 H 1 2.963 . . 1 . . . . . . . . 7225 1 382 . 1 1 32 32 LYS C C 13 179.952 . . 1 . . . . . . . . 7225 1 383 . 1 1 32 32 LYS CA C 13 59.646 . . 1 . . . . . . . . 7225 1 384 . 1 1 32 32 LYS CB C 13 32.446 . . 1 . . . . . . . . 7225 1 385 . 1 1 32 32 LYS CG C 13 25.084 . . 1 . . . . . . . . 7225 1 386 . 1 1 32 32 LYS CD C 13 29.360 . . 1 . . . . . . . . 7225 1 387 . 1 1 32 32 LYS CE C 13 42.162 . . 1 . . . . . . . . 7225 1 388 . 1 1 32 32 LYS N N 15 120.855 . . 1 . . . . . . . . 7225 1 389 . 1 1 33 33 LEU H H 1 8.628 . . 1 . . . . . . . . 7225 1 390 . 1 1 33 33 LEU HA H 1 4.144 . . 1 . . . . . . . . 7225 1 391 . 1 1 33 33 LEU HB2 H 1 1.907 . . 2 . . . . . . . . 7225 1 392 . 1 1 33 33 LEU HB3 H 1 1.336 . . 2 . . . . . . . . 7225 1 393 . 1 1 33 33 LEU HG H 1 1.892 . . 1 . . . . . . . . 7225 1 394 . 1 1 33 33 LEU HD11 H 1 0.910 . . 1 . . . . . . . . 7225 1 395 . 1 1 33 33 LEU HD12 H 1 0.910 . . 1 . . . . . . . . 7225 1 396 . 1 1 33 33 LEU HD13 H 1 0.910 . . 1 . . . . . . . . 7225 1 397 . 1 1 33 33 LEU HD21 H 1 0.950 . . 1 . . . . . . . . 7225 1 398 . 1 1 33 33 LEU HD22 H 1 0.950 . . 1 . . . . . . . . 7225 1 399 . 1 1 33 33 LEU HD23 H 1 0.950 . . 1 . . . . . . . . 7225 1 400 . 1 1 33 33 LEU C C 13 179.429 . . 1 . . . . . . . . 7225 1 401 . 1 1 33 33 LEU CA C 13 57.860 . . 1 . . . . . . . . 7225 1 402 . 1 1 33 33 LEU CB C 13 42.595 . . 1 . . . . . . . . 7225 1 403 . 1 1 33 33 LEU CG C 13 26.880 . . 1 . . . . . . . . 7225 1 404 . 1 1 33 33 LEU CD1 C 13 26.606 . . 1 . . . . . . . . 7225 1 405 . 1 1 33 33 LEU CD2 C 13 22.717 . . 1 . . . . . . . . 7225 1 406 . 1 1 33 33 LEU N N 15 120.102 . . 1 . . . . . . . . 7225 1 407 . 1 1 34 34 ARG H H 1 8.428 . . 1 . . . . . . . . 7225 1 408 . 1 1 34 34 ARG HA H 1 3.997 . . 1 . . . . . . . . 7225 1 409 . 1 1 34 34 ARG HB2 H 1 1.956 . . 1 . . . . . . . . 7225 1 410 . 1 1 34 34 ARG HB3 H 1 1.956 . . 1 . . . . . . . . 7225 1 411 . 1 1 34 34 ARG HG2 H 1 1.811 . . 2 . . . . . . . . 7225 1 412 . 1 1 34 34 ARG HG3 H 1 1.592 . . 2 . . . . . . . . 7225 1 413 . 1 1 34 34 ARG HD2 H 1 3.196 . . 2 . . . . . . . . 7225 1 414 . 1 1 34 34 ARG HD3 H 1 3.145 . . 2 . . . . . . . . 7225 1 415 . 1 1 34 34 ARG C C 13 178.612 . . 1 . . . . . . . . 7225 1 416 . 1 1 34 34 ARG CA C 13 59.762 . . 1 . . . . . . . . 7225 1 417 . 1 1 34 34 ARG CB C 13 29.878 . . 1 . . . . . . . . 7225 1 418 . 1 1 34 34 ARG CG C 13 28.005 . . 1 . . . . . . . . 7225 1 419 . 1 1 34 34 ARG CD C 13 43.485 . . 1 . . . . . . . . 7225 1 420 . 1 1 34 34 ARG N N 15 119.213 . . 1 . . . . . . . . 7225 1 421 . 1 1 35 35 GLN H H 1 7.859 . . 1 . . . . . . . . 7225 1 422 . 1 1 35 35 GLN HA H 1 4.080 . . 1 . . . . . . . . 7225 1 423 . 1 1 35 35 GLN HB2 H 1 2.267 . . 2 . . . . . . . . 7225 1 424 . 1 1 35 35 GLN HB3 H 1 2.188 . . 2 . . . . . . . . 7225 1 425 . 1 1 35 35 GLN HG2 H 1 2.557 . . 2 . . . . . . . . 7225 1 426 . 1 1 35 35 GLN HG3 H 1 2.479 . . 2 . . . . . . . . 7225 1 427 . 1 1 35 35 GLN C C 13 178.660 . . 1 . . . . . . . . 7225 1 428 . 1 1 35 35 GLN CA C 13 58.834 . . 1 . . . . . . . . 7225 1 429 . 1 1 35 35 GLN CB C 13 28.420 . . 1 . . . . . . . . 7225 1 430 . 1 1 35 35 GLN CG C 13 34.104 . . 1 . . . . . . . . 7225 1 431 . 1 1 35 35 GLN N N 15 117.428 . . 1 . . . . . . . . 7225 1 432 . 1 1 36 36 GLU H H 1 7.954 . . 1 . . . . . . . . 7225 1 433 . 1 1 36 36 GLU HA H 1 4.001 . . 1 . . . . . . . . 7225 1 434 . 1 1 36 36 GLU HB2 H 1 2.177 . . 2 . . . . . . . . 7225 1 435 . 1 1 36 36 GLU HB3 H 1 2.095 . . 2 . . . . . . . . 7225 1 436 . 1 1 36 36 GLU HG2 H 1 2.443 . . 2 . . . . . . . . 7225 1 437 . 1 1 36 36 GLU HG3 H 1 2.176 . . 2 . . . . . . . . 7225 1 438 . 1 1 36 36 GLU C C 13 179.087 . . 1 . . . . . . . . 7225 1 439 . 1 1 36 36 GLU CA C 13 59.463 . . 1 . . . . . . . . 7225 1 440 . 1 1 36 36 GLU CB C 13 29.862 . . 1 . . . . . . . . 7225 1 441 . 1 1 36 36 GLU CG C 13 36.486 . . 1 . . . . . . . . 7225 1 442 . 1 1 36 36 GLU N N 15 119.701 . . 1 . . . . . . . . 7225 1 443 . 1 1 37 37 TYR H H 1 8.617 . . 1 . . . . . . . . 7225 1 444 . 1 1 37 37 TYR HA H 1 4.148 . . 1 . . . . . . . . 7225 1 445 . 1 1 37 37 TYR HB2 H 1 3.245 . . 2 . . . . . . . . 7225 1 446 . 1 1 37 37 TYR HB3 H 1 3.016 . . 2 . . . . . . . . 7225 1 447 . 1 1 37 37 TYR HD1 H 1 7.026 . . 1 . . . . . . . . 7225 1 448 . 1 1 37 37 TYR HD2 H 1 7.024 . . 1 . . . . . . . . 7225 1 449 . 1 1 37 37 TYR HE1 H 1 6.768 . . 1 . . . . . . . . 7225 1 450 . 1 1 37 37 TYR HE2 H 1 6.768 . . 1 . . . . . . . . 7225 1 451 . 1 1 37 37 TYR C C 13 177.587 . . 1 . . . . . . . . 7225 1 452 . 1 1 37 37 TYR CA C 13 60.699 . . 1 . . . . . . . . 7225 1 453 . 1 1 37 37 TYR CB C 13 38.637 . . 1 . . . . . . . . 7225 1 454 . 1 1 37 37 TYR CD1 C 13 132.846 . . 1 . . . . . . . . 7225 1 455 . 1 1 37 37 TYR CD2 C 13 132.856 . . 1 . . . . . . . . 7225 1 456 . 1 1 37 37 TYR CE1 C 13 118.310 . . 1 . . . . . . . . 7225 1 457 . 1 1 37 37 TYR CE2 C 13 118.309 . . 1 . . . . . . . . 7225 1 458 . 1 1 37 37 TYR N N 15 120.934 . . 1 . . . . . . . . 7225 1 459 . 1 1 38 38 LEU H H 1 8.264 . . 1 . . . . . . . . 7225 1 460 . 1 1 38 38 LEU HA H 1 4.050 . . 1 . . . . . . . . 7225 1 461 . 1 1 38 38 LEU HB2 H 1 1.865 . . 2 . . . . . . . . 7225 1 462 . 1 1 38 38 LEU HB3 H 1 1.576 . . 2 . . . . . . . . 7225 1 463 . 1 1 38 38 LEU HG H 1 1.862 . . 1 . . . . . . . . 7225 1 464 . 1 1 38 38 LEU HD11 H 1 0.912 . . 1 . . . . . . . . 7225 1 465 . 1 1 38 38 LEU HD12 H 1 0.912 . . 1 . . . . . . . . 7225 1 466 . 1 1 38 38 LEU HD13 H 1 0.912 . . 1 . . . . . . . . 7225 1 467 . 1 1 38 38 LEU HD21 H 1 0.881 . . 1 . . . . . . . . 7225 1 468 . 1 1 38 38 LEU HD22 H 1 0.881 . . 1 . . . . . . . . 7225 1 469 . 1 1 38 38 LEU HD23 H 1 0.881 . . 1 . . . . . . . . 7225 1 470 . 1 1 38 38 LEU C C 13 179.078 . . 1 . . . . . . . . 7225 1 471 . 1 1 38 38 LEU CA C 13 57.120 . . 1 . . . . . . . . 7225 1 472 . 1 1 38 38 LEU CB C 13 42.036 . . 1 . . . . . . . . 7225 1 473 . 1 1 38 38 LEU CG C 13 26.990 . . 1 . . . . . . . . 7225 1 474 . 1 1 38 38 LEU CD1 C 13 25.318 . . 1 . . . . . . . . 7225 1 475 . 1 1 38 38 LEU CD2 C 13 22.968 . . 1 . . . . . . . . 7225 1 476 . 1 1 38 38 LEU N N 15 119.196 . . 1 . . . . . . . . 7225 1 477 . 1 1 39 39 LYS H H 1 7.812 . . 1 . . . . . . . . 7225 1 478 . 1 1 39 39 LYS HA H 1 4.130 . . 1 . . . . . . . . 7225 1 479 . 1 1 39 39 LYS HB2 H 1 1.886 . . 1 . . . . . . . . 7225 1 480 . 1 1 39 39 LYS HB3 H 1 1.885 . . 1 . . . . . . . . 7225 1 481 . 1 1 39 39 LYS HG2 H 1 1.556 . . 2 . . . . . . . . 7225 1 482 . 1 1 39 39 LYS HG3 H 1 1.432 . . 2 . . . . . . . . 7225 1 483 . 1 1 39 39 LYS HD2 H 1 1.673 . . 1 . . . . . . . . 7225 1 484 . 1 1 39 39 LYS HD3 H 1 1.673 . . 1 . . . . . . . . 7225 1 485 . 1 1 39 39 LYS HE2 H 1 2.961 . . 1 . . . . . . . . 7225 1 486 . 1 1 39 39 LYS HE3 H 1 2.961 . . 1 . . . . . . . . 7225 1 487 . 1 1 39 39 LYS C C 13 178.255 . . 1 . . . . . . . . 7225 1 488 . 1 1 39 39 LYS CA C 13 58.273 . . 1 . . . . . . . . 7225 1 489 . 1 1 39 39 LYS CB C 13 32.543 . . 1 . . . . . . . . 7225 1 490 . 1 1 39 39 LYS CG C 13 25.140 . . 1 . . . . . . . . 7225 1 491 . 1 1 39 39 LYS CD C 13 29.294 . . 1 . . . . . . . . 7225 1 492 . 1 1 39 39 LYS CE C 13 42.191 . . 1 . . . . . . . . 7225 1 493 . 1 1 39 39 LYS N N 15 118.888 . . 1 . . . . . . . . 7225 1 494 . 1 1 40 40 GLY H H 1 7.871 . . 1 . . . . . . . . 7225 1 495 . 1 1 40 40 GLY HA2 H 1 3.961 . . 2 . . . . . . . . 7225 1 496 . 1 1 40 40 GLY HA3 H 1 3.757 . . 2 . . . . . . . . 7225 1 497 . 1 1 40 40 GLY C C 13 174.429 . . 1 . . . . . . . . 7225 1 498 . 1 1 40 40 GLY CA C 13 45.771 . . 1 . . . . . . . . 7225 1 499 . 1 1 40 40 GLY N N 15 106.704 . . 1 . . . . . . . . 7225 1 500 . 1 1 41 41 PHE H H 1 7.866 . . 1 . . . . . . . . 7225 1 501 . 1 1 41 41 PHE HA H 1 4.415 . . 1 . . . . . . . . 7225 1 502 . 1 1 41 41 PHE HB2 H 1 3.031 . . 2 . . . . . . . . 7225 1 503 . 1 1 41 41 PHE HB3 H 1 2.873 . . 2 . . . . . . . . 7225 1 504 . 1 1 41 41 PHE HD1 H 1 7.199 . . 1 . . . . . . . . 7225 1 505 . 1 1 41 41 PHE HD2 H 1 7.199 . . 1 . . . . . . . . 7225 1 506 . 1 1 41 41 PHE HE1 H 1 7.181 . . 1 . . . . . . . . 7225 1 507 . 1 1 41 41 PHE HE2 H 1 7.180 . . 1 . . . . . . . . 7225 1 508 . 1 1 41 41 PHE HZ H 1 7.258 . . 1 . . . . . . . . 7225 1 509 . 1 1 41 41 PHE C C 13 176.128 . . 1 . . . . . . . . 7225 1 510 . 1 1 41 41 PHE CA C 13 58.900 . . 1 . . . . . . . . 7225 1 511 . 1 1 41 41 PHE CB C 13 39.475 . . 1 . . . . . . . . 7225 1 512 . 1 1 41 41 PHE CD1 C 13 131.635 . . 1 . . . . . . . . 7225 1 513 . 1 1 41 41 PHE CD2 C 13 131.605 . . 1 . . . . . . . . 7225 1 514 . 1 1 41 41 PHE CE1 C 13 131.590 . . 1 . . . . . . . . 7225 1 515 . 1 1 41 41 PHE CE2 C 13 131.527 . . 1 . . . . . . . . 7225 1 516 . 1 1 41 41 PHE CZ C 13 129.680 . . 1 . . . . . . . . 7225 1 517 . 1 1 41 41 PHE N N 15 120.496 . . 1 . . . . . . . . 7225 1 518 . 1 1 42 42 ARG H H 1 8.043 . . 1 . . . . . . . . 7225 1 519 . 1 1 42 42 ARG C C 13 176.577 . . 1 . . . . . . . . 7225 1 520 . 1 1 42 42 ARG CB C 13 30.762 . . 1 . . . . . . . . 7225 1 521 . 1 1 42 42 ARG CG C 13 27.226 . . 1 . . . . . . . . 7225 1 522 . 1 1 42 42 ARG CD C 13 43.463 . . 1 . . . . . . . . 7225 1 523 . 1 1 42 42 ARG N N 15 121.502 . . 1 . . . . . . . . 7225 1 524 . 1 1 43 43 SER H H 1 8.204 . . 1 . . . . . . . . 7225 1 525 . 1 1 43 43 SER N N 15 116.205 . . 1 . . . . . . . . 7225 1 526 . 1 1 47 47 ASN HA H 1 4.737 . . 1 . . . . . . . . 7225 1 527 . 1 1 47 47 ASN HB2 H 1 2.812 . . 1 . . . . . . . . 7225 1 528 . 1 1 47 47 ASN HB3 H 1 2.812 . . 1 . . . . . . . . 7225 1 529 . 1 1 47 47 ASN C C 13 175.477 . . 1 . . . . . . . . 7225 1 530 . 1 1 47 47 ASN CA C 13 53.466 . . 1 . . . . . . . . 7225 1 531 . 1 1 47 47 ASN CB C 13 38.855 . . 1 . . . . . . . . 7225 1 532 . 1 1 48 48 THR H H 1 8.107 . . 1 . . . . . . . . 7225 1 533 . 1 1 48 48 THR HA H 1 4.299 . . 1 . . . . . . . . 7225 1 534 . 1 1 48 48 THR HB H 1 4.242 . . 1 . . . . . . . . 7225 1 535 . 1 1 48 48 THR HG21 H 1 1.183 . . 1 . . . . . . . . 7225 1 536 . 1 1 48 48 THR HG22 H 1 1.183 . . 1 . . . . . . . . 7225 1 537 . 1 1 48 48 THR HG23 H 1 1.183 . . 1 . . . . . . . . 7225 1 538 . 1 1 48 48 THR C C 13 174.645 . . 1 . . . . . . . . 7225 1 539 . 1 1 48 48 THR CA C 13 62.147 . . 1 . . . . . . . . 7225 1 540 . 1 1 48 48 THR CB C 13 69.712 . . 1 . . . . . . . . 7225 1 541 . 1 1 48 48 THR CG2 C 13 21.742 . . 1 . . . . . . . . 7225 1 542 . 1 1 48 48 THR N N 15 114.442 . . 1 . . . . . . . . 7225 1 543 . 1 1 49 49 LEU H H 1 8.196 . . 1 . . . . . . . . 7225 1 544 . 1 1 49 49 LEU HA H 1 4.335 . . 1 . . . . . . . . 7225 1 545 . 1 1 49 49 LEU HB2 H 1 1.645 . . 2 . . . . . . . . 7225 1 546 . 1 1 49 49 LEU HB3 H 1 1.575 . . 2 . . . . . . . . 7225 1 547 . 1 1 49 49 LEU HG H 1 1.596 . . 1 . . . . . . . . 7225 1 548 . 1 1 49 49 LEU HD11 H 1 0.892 . . 1 . . . . . . . . 7225 1 549 . 1 1 49 49 LEU HD12 H 1 0.892 . . 1 . . . . . . . . 7225 1 550 . 1 1 49 49 LEU HD13 H 1 0.892 . . 1 . . . . . . . . 7225 1 551 . 1 1 49 49 LEU HD21 H 1 0.841 . . 1 . . . . . . . . 7225 1 552 . 1 1 49 49 LEU HD22 H 1 0.841 . . 1 . . . . . . . . 7225 1 553 . 1 1 49 49 LEU HD23 H 1 0.841 . . 1 . . . . . . . . 7225 1 554 . 1 1 49 49 LEU C C 13 177.359 . . 1 . . . . . . . . 7225 1 555 . 1 1 49 49 LEU CA C 13 55.515 . . 1 . . . . . . . . 7225 1 556 . 1 1 49 49 LEU CB C 13 42.259 . . 1 . . . . . . . . 7225 1 557 . 1 1 49 49 LEU CG C 13 27.020 . . 1 . . . . . . . . 7225 1 558 . 1 1 49 49 LEU CD1 C 13 24.932 . . 1 . . . . . . . . 7225 1 559 . 1 1 49 49 LEU CD2 C 13 23.553 . . 1 . . . . . . . . 7225 1 560 . 1 1 49 49 LEU N N 15 124.165 . . 1 . . . . . . . . 7225 1 561 . 1 1 50 50 LYS H H 1 8.247 . . 1 . . . . . . . . 7225 1 562 . 1 1 50 50 LYS HA H 1 4.304 . . 1 . . . . . . . . 7225 1 563 . 1 1 50 50 LYS HB2 H 1 1.820 . . 2 . . . . . . . . 7225 1 564 . 1 1 50 50 LYS HB3 H 1 1.749 . . 2 . . . . . . . . 7225 1 565 . 1 1 50 50 LYS HG2 H 1 1.423 . . 2 . . . . . . . . 7225 1 566 . 1 1 50 50 LYS HG3 H 1 1.383 . . 2 . . . . . . . . 7225 1 567 . 1 1 50 50 LYS HD2 H 1 1.651 . . 1 . . . . . . . . 7225 1 568 . 1 1 50 50 LYS HD3 H 1 1.651 . . 1 . . . . . . . . 7225 1 569 . 1 1 50 50 LYS HE2 H 1 2.966 . . 1 . . . . . . . . 7225 1 570 . 1 1 50 50 LYS HE3 H 1 2.966 . . 1 . . . . . . . . 7225 1 571 . 1 1 50 50 LYS C C 13 176.471 . . 1 . . . . . . . . 7225 1 572 . 1 1 50 50 LYS CA C 13 56.396 . . 1 . . . . . . . . 7225 1 573 . 1 1 50 50 LYS CB C 13 33.009 . . 1 . . . . . . . . 7225 1 574 . 1 1 50 50 LYS CG C 13 24.802 . . 1 . . . . . . . . 7225 1 575 . 1 1 50 50 LYS CD C 13 29.059 . . 1 . . . . . . . . 7225 1 576 . 1 1 50 50 LYS CE C 13 42.184 . . 1 . . . . . . . . 7225 1 577 . 1 1 50 50 LYS N N 15 121.915 . . 1 . . . . . . . . 7225 1 578 . 1 1 51 51 SER H H 1 8.216 . . 1 . . . . . . . . 7225 1 579 . 1 1 51 51 SER HA H 1 4.443 . . 1 . . . . . . . . 7225 1 580 . 1 1 51 51 SER HB2 H 1 3.837 . . 1 . . . . . . . . 7225 1 581 . 1 1 51 51 SER HB3 H 1 3.837 . . 1 . . . . . . . . 7225 1 582 . 1 1 51 51 SER C C 13 174.372 . . 1 . . . . . . . . 7225 1 583 . 1 1 51 51 SER CA C 13 58.234 . . 1 . . . . . . . . 7225 1 584 . 1 1 51 51 SER CB C 13 63.843 . . 1 . . . . . . . . 7225 1 585 . 1 1 51 51 SER N N 15 116.707 . . 1 . . . . . . . . 7225 1 586 . 1 1 52 52 VAL H H 1 8.095 . . 1 . . . . . . . . 7225 1 587 . 1 1 52 52 VAL HA H 1 4.132 . . 1 . . . . . . . . 7225 1 588 . 1 1 52 52 VAL HB H 1 2.059 . . 1 . . . . . . . . 7225 1 589 . 1 1 52 52 VAL HG11 H 1 0.890 . . 1 . . . . . . . . 7225 1 590 . 1 1 52 52 VAL HG12 H 1 0.890 . . 1 . . . . . . . . 7225 1 591 . 1 1 52 52 VAL HG13 H 1 0.890 . . 1 . . . . . . . . 7225 1 592 . 1 1 52 52 VAL HG21 H 1 0.899 . . 1 . . . . . . . . 7225 1 593 . 1 1 52 52 VAL HG22 H 1 0.899 . . 1 . . . . . . . . 7225 1 594 . 1 1 52 52 VAL HG23 H 1 0.899 . . 1 . . . . . . . . 7225 1 595 . 1 1 52 52 VAL C C 13 175.653 . . 1 . . . . . . . . 7225 1 596 . 1 1 52 52 VAL CA C 13 62.175 . . 1 . . . . . . . . 7225 1 597 . 1 1 52 52 VAL CB C 13 32.884 . . 1 . . . . . . . . 7225 1 598 . 1 1 52 52 VAL CG1 C 13 21.161 . . 1 . . . . . . . . 7225 1 599 . 1 1 52 52 VAL CG2 C 13 20.545 . . 1 . . . . . . . . 7225 1 600 . 1 1 52 52 VAL N N 15 121.876 . . 1 . . . . . . . . 7225 1 601 . 1 1 53 53 LYS H H 1 8.287 . . 1 . . . . . . . . 7225 1 602 . 1 1 53 53 LYS HA H 1 4.337 . . 1 . . . . . . . . 7225 1 603 . 1 1 53 53 LYS HB2 H 1 1.732 . . 2 . . . . . . . . 7225 1 604 . 1 1 53 53 LYS HB3 H 1 1.692 . . 2 . . . . . . . . 7225 1 605 . 1 1 53 53 LYS HG2 H 1 1.385 . . 2 . . . . . . . . 7225 1 606 . 1 1 53 53 LYS HG3 H 1 1.320 . . 2 . . . . . . . . 7225 1 607 . 1 1 53 53 LYS HD2 H 1 1.650 . . 1 . . . . . . . . 7225 1 608 . 1 1 53 53 LYS HD3 H 1 1.650 . . 1 . . . . . . . . 7225 1 609 . 1 1 53 53 LYS HE2 H 1 2.949 . . 1 . . . . . . . . 7225 1 610 . 1 1 53 53 LYS HE3 H 1 2.949 . . 1 . . . . . . . . 7225 1 611 . 1 1 53 53 LYS C C 13 175.977 . . 1 . . . . . . . . 7225 1 612 . 1 1 53 53 LYS CA C 13 56.104 . . 1 . . . . . . . . 7225 1 613 . 1 1 53 53 LYS CB C 13 33.249 . . 1 . . . . . . . . 7225 1 614 . 1 1 53 53 LYS CG C 13 24.663 . . 1 . . . . . . . . 7225 1 615 . 1 1 53 53 LYS CD C 13 29.124 . . 1 . . . . . . . . 7225 1 616 . 1 1 53 53 LYS CE C 13 42.159 . . 1 . . . . . . . . 7225 1 617 . 1 1 53 53 LYS N N 15 125.221 . . 1 . . . . . . . . 7225 1 618 . 1 1 54 54 ILE H H 1 8.276 . . 1 . . . . . . . . 7225 1 619 . 1 1 54 54 ILE HA H 1 4.131 . . 1 . . . . . . . . 7225 1 620 . 1 1 54 54 ILE HB H 1 1.785 . . 1 . . . . . . . . 7225 1 621 . 1 1 54 54 ILE HG12 H 1 1.427 . . 2 . . . . . . . . 7225 1 622 . 1 1 54 54 ILE HG13 H 1 1.135 . . 2 . . . . . . . . 7225 1 623 . 1 1 54 54 ILE HG21 H 1 0.824 . . 1 . . . . . . . . 7225 1 624 . 1 1 54 54 ILE HG22 H 1 0.824 . . 1 . . . . . . . . 7225 1 625 . 1 1 54 54 ILE HG23 H 1 0.824 . . 1 . . . . . . . . 7225 1 626 . 1 1 54 54 ILE HD11 H 1 0.796 . . 1 . . . . . . . . 7225 1 627 . 1 1 54 54 ILE HD12 H 1 0.796 . . 1 . . . . . . . . 7225 1 628 . 1 1 54 54 ILE HD13 H 1 0.796 . . 1 . . . . . . . . 7225 1 629 . 1 1 54 54 ILE C C 13 175.664 . . 1 . . . . . . . . 7225 1 630 . 1 1 54 54 ILE CA C 13 60.813 . . 1 . . . . . . . . 7225 1 631 . 1 1 54 54 ILE CB C 13 38.654 . . 1 . . . . . . . . 7225 1 632 . 1 1 54 54 ILE CG1 C 13 27.208 . . 1 . . . . . . . . 7225 1 633 . 1 1 54 54 ILE CG2 C 13 17.536 . . 1 . . . . . . . . 7225 1 634 . 1 1 54 54 ILE CD1 C 13 12.675 . . 1 . . . . . . . . 7225 1 635 . 1 1 54 54 ILE N N 15 124.065 . . 1 . . . . . . . . 7225 1 636 . 1 1 55 55 ILE H H 1 8.202 . . 1 . . . . . . . . 7225 1 637 . 1 1 55 55 ILE HA H 1 4.238 . . 1 . . . . . . . . 7225 1 638 . 1 1 55 55 ILE HB H 1 1.776 . . 1 . . . . . . . . 7225 1 639 . 1 1 55 55 ILE HG12 H 1 1.413 . . 2 . . . . . . . . 7225 1 640 . 1 1 55 55 ILE HG13 H 1 1.128 . . 2 . . . . . . . . 7225 1 641 . 1 1 55 55 ILE HG21 H 1 0.827 . . 1 . . . . . . . . 7225 1 642 . 1 1 55 55 ILE HG22 H 1 0.827 . . 1 . . . . . . . . 7225 1 643 . 1 1 55 55 ILE HG23 H 1 0.827 . . 1 . . . . . . . . 7225 1 644 . 1 1 55 55 ILE HD11 H 1 0.796 . . 1 . . . . . . . . 7225 1 645 . 1 1 55 55 ILE HD12 H 1 0.796 . . 1 . . . . . . . . 7225 1 646 . 1 1 55 55 ILE HD13 H 1 0.796 . . 1 . . . . . . . . 7225 1 647 . 1 1 55 55 ILE C C 13 175.528 . . 1 . . . . . . . . 7225 1 648 . 1 1 55 55 ILE CA C 13 60.372 . . 1 . . . . . . . . 7225 1 649 . 1 1 55 55 ILE CB C 13 38.887 . . 1 . . . . . . . . 7225 1 650 . 1 1 55 55 ILE CG1 C 13 27.170 . . 1 . . . . . . . . 7225 1 651 . 1 1 55 55 ILE CG2 C 13 17.534 . . 1 . . . . . . . . 7225 1 652 . 1 1 55 55 ILE CD1 C 13 12.678 . . 1 . . . . . . . . 7225 1 653 . 1 1 55 55 ILE N N 15 125.467 . . 1 . . . . . . . . 7225 1 654 . 1 1 56 56 ASP H H 1 8.512 . . 1 . . . . . . . . 7225 1 655 . 1 1 56 56 ASP HA H 1 4.833 . . 1 . . . . . . . . 7225 1 656 . 1 1 56 56 ASP HB2 H 1 2.715 . . 2 . . . . . . . . 7225 1 657 . 1 1 56 56 ASP HB3 H 1 2.612 . . 2 . . . . . . . . 7225 1 658 . 1 1 56 56 ASP C C 13 174.945 . . 1 . . . . . . . . 7225 1 659 . 1 1 56 56 ASP CA C 13 52.337 . . 1 . . . . . . . . 7225 1 660 . 1 1 56 56 ASP CB C 13 41.125 . . 1 . . . . . . . . 7225 1 661 . 1 1 56 56 ASP N N 15 126.262 . . 1 . . . . . . . . 7225 1 662 . 1 1 57 57 PRO HA H 1 4.348 . . 1 . . . . . . . . 7225 1 663 . 1 1 57 57 PRO HB2 H 1 2.279 . . 2 . . . . . . . . 7225 1 664 . 1 1 57 57 PRO HB3 H 1 1.938 . . 2 . . . . . . . . 7225 1 665 . 1 1 57 57 PRO HD2 H 1 3.821 . . 2 . . . . . . . . 7225 1 666 . 1 1 57 57 PRO HD3 H 1 3.791 . . 2 . . . . . . . . 7225 1 667 . 1 1 57 57 PRO HG2 H 1 1.996 . . 1 . . . . . . . . 7225 1 668 . 1 1 57 57 PRO HG3 H 1 1.996 . . 1 . . . . . . . . 7225 1 669 . 1 1 57 57 PRO C C 13 177.327 . . 1 . . . . . . . . 7225 1 670 . 1 1 57 57 PRO CA C 13 63.983 . . 1 . . . . . . . . 7225 1 671 . 1 1 57 57 PRO CB C 13 32.163 . . 1 . . . . . . . . 7225 1 672 . 1 1 57 57 PRO CG C 13 27.440 . . 1 . . . . . . . . 7225 1 673 . 1 1 57 57 PRO CD C 13 50.933 . . 1 . . . . . . . . 7225 1 674 . 1 1 58 58 GLU H H 1 8.360 . . 1 . . . . . . . . 7225 1 675 . 1 1 58 58 GLU HA H 1 4.268 . . 1 . . . . . . . . 7225 1 676 . 1 1 58 58 GLU HB2 H 1 2.094 . . 2 . . . . . . . . 7225 1 677 . 1 1 58 58 GLU HB3 H 1 1.938 . . 2 . . . . . . . . 7225 1 678 . 1 1 58 58 GLU HG2 H 1 2.232 . . 1 . . . . . . . . 7225 1 679 . 1 1 58 58 GLU HG3 H 1 2.231 . . 1 . . . . . . . . 7225 1 680 . 1 1 58 58 GLU C C 13 177.078 . . 1 . . . . . . . . 7225 1 681 . 1 1 58 58 GLU CA C 13 56.604 . . 1 . . . . . . . . 7225 1 682 . 1 1 58 58 GLU CB C 13 30.128 . . 1 . . . . . . . . 7225 1 683 . 1 1 58 58 GLU CG C 13 36.641 . . 1 . . . . . . . . 7225 1 684 . 1 1 58 58 GLU N N 15 118.772 . . 1 . . . . . . . . 7225 1 685 . 1 1 59 59 GLY H H 1 8.198 . . 1 . . . . . . . . 7225 1 686 . 1 1 59 59 GLY HA2 H 1 3.925 . . 2 . . . . . . . . 7225 1 687 . 1 1 59 59 GLY HA3 H 1 3.898 . . 2 . . . . . . . . 7225 1 688 . 1 1 59 59 GLY C C 13 174.151 . . 1 . . . . . . . . 7225 1 689 . 1 1 59 59 GLY CA C 13 45.603 . . 1 . . . . . . . . 7225 1 690 . 1 1 59 59 GLY N N 15 108.779 . . 1 . . . . . . . . 7225 1 691 . 1 1 60 60 ASN H H 1 8.371 . . 1 . . . . . . . . 7225 1 692 . 1 1 60 60 ASN HA H 1 4.701 . . 1 . . . . . . . . 7225 1 693 . 1 1 60 60 ASN HB2 H 1 2.742 . . 1 . . . . . . . . 7225 1 694 . 1 1 60 60 ASN HB3 H 1 2.742 . . 1 . . . . . . . . 7225 1 695 . 1 1 60 60 ASN C C 13 174.852 . . 1 . . . . . . . . 7225 1 696 . 1 1 60 60 ASN CA C 13 53.342 . . 1 . . . . . . . . 7225 1 697 . 1 1 60 60 ASN CB C 13 39.264 . . 1 . . . . . . . . 7225 1 698 . 1 1 60 60 ASN N N 15 118.785 . . 1 . . . . . . . . 7225 1 699 . 1 1 60 60 ASN ND2 N 15 114.00 . . 1 . . . . . . . . 7225 1 700 . 1 1 60 60 ASN HD21 H 1 7.740 . . 1 . . . . . . . . 7225 1 701 . 1 1 60 60 ASN HD22 H 1 6.942 . . 1 . . . . . . . . 7225 1 702 . 1 1 61 61 ASP H H 1 8.497 . . 1 . . . . . . . . 7225 1 703 . 1 1 61 61 ASP HA H 1 4.625 . . 1 . . . . . . . . 7225 1 704 . 1 1 61 61 ASP HB2 H 1 2.695 . . 2 . . . . . . . . 7225 1 705 . 1 1 61 61 ASP HB3 H 1 2.585 . . 2 . . . . . . . . 7225 1 706 . 1 1 61 61 ASP C C 13 176.205 . . 1 . . . . . . . . 7225 1 707 . 1 1 61 61 ASP CA C 13 54.464 . . 1 . . . . . . . . 7225 1 708 . 1 1 61 61 ASP CB C 13 41.033 . . 1 . . . . . . . . 7225 1 709 . 1 1 61 61 ASP N N 15 120.744 . . 1 . . . . . . . . 7225 1 710 . 1 1 62 62 VAL H H 1 8.152 . . 1 . . . . . . . . 7225 1 711 . 1 1 62 62 VAL HA H 1 4.187 . . 1 . . . . . . . . 7225 1 712 . 1 1 62 62 VAL HB H 1 2.112 . . 1 . . . . . . . . 7225 1 713 . 1 1 62 62 VAL HG11 H 1 0.881 . . 1 . . . . . . . . 7225 1 714 . 1 1 62 62 VAL HG12 H 1 0.881 . . 1 . . . . . . . . 7225 1 715 . 1 1 62 62 VAL HG13 H 1 0.881 . . 1 . . . . . . . . 7225 1 716 . 1 1 62 62 VAL HG21 H 1 0.887 . . 1 . . . . . . . . 7225 1 717 . 1 1 62 62 VAL HG22 H 1 0.887 . . 1 . . . . . . . . 7225 1 718 . 1 1 62 62 VAL HG23 H 1 0.887 . . 1 . . . . . . . . 7225 1 719 . 1 1 62 62 VAL C C 13 176.036 . . 1 . . . . . . . . 7225 1 720 . 1 1 62 62 VAL CA C 13 62.008 . . 1 . . . . . . . . 7225 1 721 . 1 1 62 62 VAL CB C 13 32.472 . . 1 . . . . . . . . 7225 1 722 . 1 1 62 62 VAL CG1 C 13 21.322 . . 1 . . . . . . . . 7225 1 723 . 1 1 62 62 VAL CG2 C 13 20.361 . . 1 . . . . . . . . 7225 1 724 . 1 1 62 62 VAL N N 15 120.268 . . 1 . . . . . . . . 7225 1 725 . 1 1 63 63 THR H H 1 8.112 . . 1 . . . . . . . . 7225 1 726 . 1 1 63 63 THR HA H 1 4.529 . . 1 . . . . . . . . 7225 1 727 . 1 1 63 63 THR HB H 1 4.249 . . 1 . . . . . . . . 7225 1 728 . 1 1 63 63 THR HG21 H 1 1.246 . . 1 . . . . . . . . 7225 1 729 . 1 1 63 63 THR HG22 H 1 1.246 . . 1 . . . . . . . . 7225 1 730 . 1 1 63 63 THR HG23 H 1 1.246 . . 1 . . . . . . . . 7225 1 731 . 1 1 63 63 THR C C 13 173.122 . . 1 . . . . . . . . 7225 1 732 . 1 1 63 63 THR CA C 13 60.430 . . 1 . . . . . . . . 7225 1 733 . 1 1 63 63 THR CB C 13 69.420 . . 1 . . . . . . . . 7225 1 734 . 1 1 63 63 THR CG2 C 13 21.757 . . 1 . . . . . . . . 7225 1 735 . 1 1 63 63 THR N N 15 119.885 . . 1 . . . . . . . . 7225 1 736 . 1 1 64 64 PRO HA H 1 4.332 . . 1 . . . . . . . . 7225 1 737 . 1 1 64 64 PRO HB2 H 1 2.333 . . 2 . . . . . . . . 7225 1 738 . 1 1 64 64 PRO HB3 H 1 1.905 . . 2 . . . . . . . . 7225 1 739 . 1 1 64 64 PRO HG2 H 1 2.075 . . 2 . . . . . . . . 7225 1 740 . 1 1 64 64 PRO HG3 H 1 2.000 . . 2 . . . . . . . . 7225 1 741 . 1 1 64 64 PRO HD2 H 1 3.877 . . 2 . . . . . . . . 7225 1 742 . 1 1 64 64 PRO HD3 H 1 3.743 . . 2 . . . . . . . . 7225 1 743 . 1 1 64 64 PRO C C 13 177.770 . . 1 . . . . . . . . 7225 1 744 . 1 1 64 64 PRO CA C 13 64.125 . . 1 . . . . . . . . 7225 1 745 . 1 1 64 64 PRO CB C 13 32.118 . . 1 . . . . . . . . 7225 1 746 . 1 1 64 64 PRO CG C 13 27.642 . . 1 . . . . . . . . 7225 1 747 . 1 1 64 64 PRO CD C 13 51.021 . . 1 . . . . . . . . 7225 1 748 . 1 1 65 65 GLU H H 1 8.532 . . 1 . . . . . . . . 7225 1 749 . 1 1 65 65 GLU HA H 1 4.078 . . 1 . . . . . . . . 7225 1 750 . 1 1 65 65 GLU HB2 H 1 1.989 . . 1 . . . . . . . . 7225 1 751 . 1 1 65 65 GLU HB3 H 1 1.987 . . 1 . . . . . . . . 7225 1 752 . 1 1 65 65 GLU HG2 H 1 2.278 . . 1 . . . . . . . . 7225 1 753 . 1 1 65 65 GLU HG3 H 1 2.278 . . 1 . . . . . . . . 7225 1 754 . 1 1 65 65 GLU C C 13 177.505 . . 1 . . . . . . . . 7225 1 755 . 1 1 65 65 GLU CA C 13 58.128 . . 1 . . . . . . . . 7225 1 756 . 1 1 65 65 GLU CB C 13 29.710 . . 1 . . . . . . . . 7225 1 757 . 1 1 65 65 GLU CG C 13 36.317 . . 1 . . . . . . . . 7225 1 758 . 1 1 65 65 GLU N N 15 120.003 . . 1 . . . . . . . . 7225 1 759 . 1 1 66 66 LYS H H 1 8.153 . . 1 . . . . . . . . 7225 1 760 . 1 1 66 66 LYS HA H 1 4.135 . . 1 . . . . . . . . 7225 1 761 . 1 1 66 66 LYS HB2 H 1 1.820 . . 1 . . . . . . . . 7225 1 762 . 1 1 66 66 LYS HB3 H 1 1.821 . . 1 . . . . . . . . 7225 1 763 . 1 1 66 66 LYS C C 13 177.372 . . 1 . . . . . . . . 7225 1 764 . 1 1 66 66 LYS CA C 13 57.660 . . 1 . . . . . . . . 7225 1 765 . 1 1 66 66 LYS CB C 13 32.818 . . 1 . . . . . . . . 7225 1 766 . 1 1 66 66 LYS CG C 13 25.019 . . 1 . . . . . . . . 7225 1 767 . 1 1 66 66 LYS CD C 13 29.347 . . 1 . . . . . . . . 7225 1 768 . 1 1 66 66 LYS CE C 13 42.221 . . 1 . . . . . . . . 7225 1 769 . 1 1 66 66 LYS N N 15 120.951 . . 1 . . . . . . . . 7225 1 770 . 1 1 67 67 LEU H H 1 7.914 . . 1 . . . . . . . . 7225 1 771 . 1 1 67 67 LEU HA H 1 4.228 . . 1 . . . . . . . . 7225 1 772 . 1 1 67 67 LEU HB2 H 1 1.647 . . 2 . . . . . . . . 7225 1 773 . 1 1 67 67 LEU HB3 H 1 1.553 . . 2 . . . . . . . . 7225 1 774 . 1 1 67 67 LEU C C 13 178.066 . . 1 . . . . . . . . 7225 1 775 . 1 1 67 67 LEU CA C 13 55.956 . . 1 . . . . . . . . 7225 1 776 . 1 1 67 67 LEU CB C 13 42.187 . . 1 . . . . . . . . 7225 1 777 . 1 1 67 67 LEU CG C 13 27.008 . . 1 . . . . . . . . 7225 1 778 . 1 1 67 67 LEU CD1 C 13 24.858 . . 1 . . . . . . . . 7225 1 779 . 1 1 67 67 LEU CD2 C 13 23.468 . . 1 . . . . . . . . 7225 1 780 . 1 1 67 67 LEU N N 15 120.837 . . 1 . . . . . . . . 7225 1 781 . 1 1 68 68 LYS H H 1 8.065 . . 1 . . . . . . . . 7225 1 782 . 1 1 68 68 LYS HA H 1 4.177 . . 1 . . . . . . . . 7225 1 783 . 1 1 68 68 LYS HB2 H 1 1.807 . . 1 . . . . . . . . 7225 1 784 . 1 1 68 68 LYS HB3 H 1 1.807 . . 1 . . . . . . . . 7225 1 785 . 1 1 68 68 LYS C C 13 177.486 . . 1 . . . . . . . . 7225 1 786 . 1 1 68 68 LYS CA C 13 57.385 . . 1 . . . . . . . . 7225 1 787 . 1 1 68 68 LYS CB C 13 32.765 . . 1 . . . . . . . . 7225 1 788 . 1 1 68 68 LYS CG C 13 24.983 . . 1 . . . . . . . . 7225 1 789 . 1 1 68 68 LYS CD C 13 29.187 . . 1 . . . . . . . . 7225 1 790 . 1 1 68 68 LYS CE C 13 42.062 . . 1 . . . . . . . . 7225 1 791 . 1 1 68 68 LYS N N 15 120.978 . . 1 . . . . . . . . 7225 1 792 . 1 1 69 69 ARG H H 1 8.163 . . 1 . . . . . . . . 7225 1 793 . 1 1 69 69 ARG HA H 1 4.194 . . 1 . . . . . . . . 7225 1 794 . 1 1 69 69 ARG HB2 H 1 1.841 . . 1 . . . . . . . . 7225 1 795 . 1 1 69 69 ARG HB3 H 1 1.841 . . 1 . . . . . . . . 7225 1 796 . 1 1 69 69 ARG C C 13 177.021 . . 1 . . . . . . . . 7225 1 797 . 1 1 69 69 ARG CA C 13 57.168 . . 1 . . . . . . . . 7225 1 798 . 1 1 69 69 ARG CB C 13 30.674 . . 1 . . . . . . . . 7225 1 799 . 1 1 69 69 ARG CG C 13 27.248 . . 1 . . . . . . . . 7225 1 800 . 1 1 69 69 ARG CD C 13 43.487 . . 1 . . . . . . . . 7225 1 801 . 1 1 69 69 ARG N N 15 121.118 . . 1 . . . . . . . . 7225 1 802 . 1 1 70 70 GLU H H 1 8.321 . . 1 . . . . . . . . 7225 1 803 . 1 1 70 70 GLU HA H 1 4.216 . . 1 . . . . . . . . 7225 1 804 . 1 1 70 70 GLU HB2 H 1 2.042 . . 2 . . . . . . . . 7225 1 805 . 1 1 70 70 GLU HB3 H 1 1.981 . . 2 . . . . . . . . 7225 1 806 . 1 1 70 70 GLU HG2 H 1 2.297 . . 2 . . . . . . . . 7225 1 807 . 1 1 70 70 GLU HG3 H 1 2.231 . . 2 . . . . . . . . 7225 1 808 . 1 1 70 70 GLU C C 13 177.024 . . 1 . . . . . . . . 7225 1 809 . 1 1 70 70 GLU CA C 13 57.250 . . 1 . . . . . . . . 7225 1 810 . 1 1 70 70 GLU CB C 13 30.116 . . 1 . . . . . . . . 7225 1 811 . 1 1 70 70 GLU CG C 13 36.409 . . 1 . . . . . . . . 7225 1 812 . 1 1 70 70 GLU N N 15 120.849 . . 1 . . . . . . . . 7225 1 813 . 1 1 71 71 GLN H H 1 8.294 . . 1 . . . . . . . . 7225 1 814 . 1 1 71 71 GLN HA H 1 4.271 . . 1 . . . . . . . . 7225 1 815 . 1 1 71 71 GLN HB2 H 1 2.088 . . 2 . . . . . . . . 7225 1 816 . 1 1 71 71 GLN HB3 H 1 2.028 . . 2 . . . . . . . . 7225 1 817 . 1 1 71 71 GLN HG2 H 1 2.367 . . 1 . . . . . . . . 7225 1 818 . 1 1 71 71 GLN HG3 H 1 2.367 . . 1 . . . . . . . . 7225 1 819 . 1 1 71 71 GLN C C 13 176.555 . . 1 . . . . . . . . 7225 1 820 . 1 1 71 71 GLN CA C 13 56.438 . . 1 . . . . . . . . 7225 1 821 . 1 1 71 71 GLN CB C 13 29.244 . . 1 . . . . . . . . 7225 1 822 . 1 1 71 71 GLN CG C 13 33.977 . . 1 . . . . . . . . 7225 1 823 . 1 1 71 71 GLN N N 15 120.802 . . 1 . . . . . . . . 7225 1 824 . 1 1 72 72 ARG H H 1 8.255 . . 1 . . . . . . . . 7225 1 825 . 1 1 72 72 ARG HA H 1 4.255 . . 1 . . . . . . . . 7225 1 826 . 1 1 72 72 ARG HB2 H 1 1.824 . . 2 . . . . . . . . 7225 1 827 . 1 1 72 72 ARG HB3 H 1 1.768 . . 2 . . . . . . . . 7225 1 828 . 1 1 72 72 ARG C C 13 176.412 . . 1 . . . . . . . . 7225 1 829 . 1 1 72 72 ARG CA C 13 56.761 . . 1 . . . . . . . . 7225 1 830 . 1 1 72 72 ARG CB C 13 30.699 . . 1 . . . . . . . . 7225 1 831 . 1 1 72 72 ARG CG C 13 27.192 . . 1 . . . . . . . . 7225 1 832 . 1 1 72 72 ARG CD C 13 43.412 . . 1 . . . . . . . . 7225 1 833 . 1 1 72 72 ARG N N 15 121.374 . . 1 . . . . . . . . 7225 1 834 . 1 1 73 73 ASN H H 1 8.408 . . 1 . . . . . . . . 7225 1 835 . 1 1 73 73 ASN HA H 1 4.664 . . 1 . . . . . . . . 7225 1 836 . 1 1 73 73 ASN C C 13 175.326 . . 1 . . . . . . . . 7225 1 837 . 1 1 73 73 ASN CA C 13 53.535 . . 1 . . . . . . . . 7225 1 838 . 1 1 73 73 ASN CB C 13 38.683 . . 1 . . . . . . . . 7225 1 839 . 1 1 73 73 ASN N N 15 119.159 . . 1 . . . . . . . . 7225 1 840 . 1 1 74 74 ASN H H 1 8.345 . . 1 . . . . . . . . 7225 1 841 . 1 1 74 74 ASN HA H 1 4.647 . . 1 . . . . . . . . 7225 1 842 . 1 1 74 74 ASN C C 13 175.381 . . 1 . . . . . . . . 7225 1 843 . 1 1 74 74 ASN CA C 13 53.672 . . 1 . . . . . . . . 7225 1 844 . 1 1 74 74 ASN CB C 13 38.640 . . 1 . . . . . . . . 7225 1 845 . 1 1 74 74 ASN N N 15 119.584 . . 1 . . . . . . . . 7225 1 846 . 1 1 75 75 LYS H H 1 8.207 . . 1 . . . . . . . . 7225 1 847 . 1 1 75 75 LYS HA H 1 4.238 . . 1 . . . . . . . . 7225 1 848 . 1 1 75 75 LYS HB2 H 1 1.815 . . 2 . . . . . . . . 7225 1 849 . 1 1 75 75 LYS HB3 H 1 1.758 . . 2 . . . . . . . . 7225 1 850 . 1 1 75 75 LYS C C 13 176.757 . . 1 . . . . . . . . 7225 1 851 . 1 1 75 75 LYS CA C 13 56.819 . . 1 . . . . . . . . 7225 1 852 . 1 1 75 75 LYS CB C 13 32.747 . . 1 . . . . . . . . 7225 1 853 . 1 1 75 75 LYS CG C 13 24.853 . . 1 . . . . . . . . 7225 1 854 . 1 1 75 75 LYS CD C 13 29.105 . . 1 . . . . . . . . 7225 1 855 . 1 1 75 75 LYS CE C 13 42.177 . . 1 . . . . . . . . 7225 1 856 . 1 1 75 75 LYS N N 15 120.827 . . 1 . . . . . . . . 7225 1 857 . 1 1 76 76 LEU H H 1 8.037 . . 1 . . . . . . . . 7225 1 858 . 1 1 76 76 LEU HA H 1 4.214 . . 1 . . . . . . . . 7225 1 859 . 1 1 76 76 LEU HB2 H 1 1.572 . . 2 . . . . . . . . 7225 1 860 . 1 1 76 76 LEU HB3 H 1 1.445 . . 2 . . . . . . . . 7225 1 861 . 1 1 76 76 LEU C C 13 177.265 . . 1 . . . . . . . . 7225 1 862 . 1 1 76 76 LEU CA C 13 55.578 . . 1 . . . . . . . . 7225 1 863 . 1 1 76 76 LEU CB C 13 42.302 . . 1 . . . . . . . . 7225 1 864 . 1 1 76 76 LEU CG C 13 26.918 . . 1 . . . . . . . . 7225 1 865 . 1 1 76 76 LEU CD1 C 13 24.804 . . 2 . . . . . . . . 7225 1 866 . 1 1 76 76 LEU CD2 C 13 23.373 . . 2 . . . . . . . . 7225 1 867 . 1 1 76 76 LEU N N 15 121.524 . . 1 . . . . . . . . 7225 1 868 . 1 1 77 77 HIS H H 1 8.262 . . 1 . . . . . . . . 7225 1 869 . 1 1 77 77 HIS HA H 1 4.569 . . 1 . . . . . . . . 7225 1 870 . 1 1 77 77 HIS C C 13 175.140 . . 1 . . . . . . . . 7225 1 871 . 1 1 77 77 HIS CA C 13 56.227 . . 1 . . . . . . . . 7225 1 872 . 1 1 77 77 HIS CB C 13 30.081 . . 1 . . . . . . . . 7225 1 873 . 1 1 77 77 HIS N N 15 119.503 . . 1 . . . . . . . . 7225 1 874 . 1 1 78 78 LEU H H 1 8.051 . . 1 . . . . . . . . 7225 1 875 . 1 1 78 78 LEU HA H 1 4.249 . . 1 . . . . . . . . 7225 1 876 . 1 1 78 78 LEU HB2 H 1 1.539 . . 2 . . . . . . . . 7225 1 877 . 1 1 78 78 LEU HB3 H 1 1.446 . . 2 . . . . . . . . 7225 1 878 . 1 1 78 78 LEU C C 13 177.301 . . 1 . . . . . . . . 7225 1 879 . 1 1 78 78 LEU CA C 13 55.294 . . 1 . . . . . . . . 7225 1 880 . 1 1 78 78 LEU CB C 13 42.386 . . 1 . . . . . . . . 7225 1 881 . 1 1 78 78 LEU CG C 13 26.834 . . 1 . . . . . . . . 7225 1 882 . 1 1 78 78 LEU CD1 C 13 25.046 . . 2 . . . . . . . . 7225 1 883 . 1 1 78 78 LEU CD2 C 13 23.304 . . 2 . . . . . . . . 7225 1 884 . 1 1 78 78 LEU N N 15 122.967 . . 1 . . . . . . . . 7225 1 885 . 1 1 79 79 GLU H H 1 8.370 . . 1 . . . . . . . . 7225 1 886 . 1 1 79 79 GLU HA H 1 4.156 . . 1 . . . . . . . . 7225 1 887 . 1 1 79 79 GLU HB2 H 1 1.893 . . 2 . . . . . . . . 7225 1 888 . 1 1 79 79 GLU HB3 H 1 1.852 . . 2 . . . . . . . . 7225 1 889 . 1 1 79 79 GLU HG2 H 1 2.201 . . 2 . . . . . . . . 7225 1 890 . 1 1 79 79 GLU HG3 H 1 2.126 . . 2 . . . . . . . . 7225 1 891 . 1 1 79 79 GLU C C 13 176.293 . . 1 . . . . . . . . 7225 1 892 . 1 1 79 79 GLU CA C 13 56.672 . . 1 . . . . . . . . 7225 1 893 . 1 1 79 79 GLU CB C 13 30.244 . . 1 . . . . . . . . 7225 1 894 . 1 1 79 79 GLU CG C 13 36.19 . . 1 . . . . . . . . 7225 1 895 . 1 1 79 79 GLU N N 15 121.025 . . 1 . . . . . . . . 7225 1 896 . 1 1 80 80 HIS H H 1 8.245 . . 1 . . . . . . . . 7225 1 897 . 1 1 80 80 HIS HA H 1 4.578 . . 1 . . . . . . . . 7225 1 898 . 1 1 80 80 HIS CA C 13 56.255 . . 1 . . . . . . . . 7225 1 899 . 1 1 80 80 HIS CB C 13 30.448 . . 1 . . . . . . . . 7225 1 900 . 1 1 80 80 HIS N N 15 119.746 . . 1 . . . . . . . . 7225 1 901 . 1 1 81 81 HIS H H 1 8.079 . . 1 . . . . . . . . 7225 1 902 . 1 1 81 81 HIS N N 15 125.425 . . 1 . . . . . . . . 7225 1 stop_ save_