data_15327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15327 _Entry.Title ; Chemical Shift Assignments for E. coli protein YqcC: Northeast Structural Genomics Consortium target ER225 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-25 _Entry.Accession_date 2007-06-25 _Entry.Last_release_date 2007-07-26 _Entry.Original_release_date 2007-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 John Cort . R. . 15327 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 15327 '15N chemical shifts' 99 15327 '1H chemical shifts' 692 15327 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-07-26 2007-06-25 original author . 15327 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HGK 'BMRB Entry Tracking System' 15327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of protein YqcC from E. coli' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 15327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15327 _Assembly.ID 1 _Assembly.Name YqcC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YqcC 1 $YqcC A . yes native yes no . . . 15327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YqcC _Entity.Sf_category entity _Entity.Sf_framecode YqcC _Entity.Entry_ID 15327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YqcC _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 ; MTTHDRVRLQLQALEALLRE HQHWRNDEPQPHQFNSTQPF FMDTMEPLEWLQWVLIPRMH DLLDNKQPLPGAFAVAPYYE MALATDHPQRALILAELEKL DALFADDASLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HGK . "Solution Nmr Structure Of Protein Yqcc From E. Coli: Northeast Structural Genomics Consortium Target Er225" . . . . . 100.00 117 100.00 100.00 5.70e-77 . . . . 15327 1 2 no DBJ BAB37075 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.16 109 98.17 99.08 6.91e-70 . . . . 15327 1 3 no DBJ BAE76864 . "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 4 no DBJ BAG78576 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 5 no DBJ BAI27053 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 6 no DBJ BAI32082 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 7 no EMBL CAP77225 . "Uncharacterized protein yqcC [Escherichia coli LF82]" . . . . . 93.16 109 97.25 97.25 1.01e-68 . . . . 15327 1 8 no EMBL CAQ33116 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 93.16 109 99.08 99.08 1.21e-70 . . . . 15327 1 9 no EMBL CAQ99720 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 93.16 109 98.17 99.08 6.91e-70 . . . . 15327 1 10 no EMBL CAR04302 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 93.16 109 97.25 97.25 3.36e-68 . . . . 15327 1 11 no EMBL CAR09405 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 93.16 109 98.17 98.17 2.45e-69 . . . . 15327 1 12 no GB AAB40442 . "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45108; 2 ORFs in E. coli; ORF_f109 [Escherichia co" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 13 no GB AAC75834 . "DUF446 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 14 no GB AAG57906 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.16 109 98.17 99.08 6.91e-70 . . . . 15327 1 15 no GB AAN44293 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.16 109 97.25 98.17 5.80e-69 . . . . 15327 1 16 no GB AAN81805 . "Hypothetical protein yqcC [Escherichia coli CFT073]" . . . . . 93.16 109 98.17 98.17 2.45e-69 . . . . 15327 1 17 no REF NP_311679 . "hypothetical protein ECs3652 [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.16 109 98.17 99.08 6.91e-70 . . . . 15327 1 18 no REF NP_417272 . "DUF446 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 1 19 no REF NP_708586 . "hypothetical protein SF2805 [Shigella flexneri 2a str. 301]" . . . . . 93.16 109 97.25 98.17 5.80e-69 . . . . 15327 1 20 no REF WP_000206975 . "hypothetical protein [Escherichia coli]" . . . . . 93.16 109 97.25 98.17 2.56e-69 . . . . 15327 1 21 no REF WP_000206977 . "hypothetical protein [Escherichia coli]" . . . . . 93.16 109 98.17 98.17 3.15e-69 . . . . 15327 1 22 no SP Q46919 . "RecName: Full=Uncharacterized protein YqcC" . . . . . 93.16 109 100.00 100.00 3.19e-71 . . . . 15327 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 . 15327 1 2 . THR . 15327 1 3 . THR . 15327 1 4 . HIS . 15327 1 5 . ASP . 15327 1 6 . ARG . 15327 1 7 . VAL . 15327 1 8 . ARG . 15327 1 9 . LEU . 15327 1 10 . GLN . 15327 1 11 . LEU . 15327 1 12 . GLN . 15327 1 13 . ALA . 15327 1 14 . LEU . 15327 1 15 . GLU . 15327 1 16 . ALA . 15327 1 17 . LEU . 15327 1 18 . LEU . 15327 1 19 . ARG . 15327 1 20 . GLU . 15327 1 21 . HIS . 15327 1 22 . GLN . 15327 1 23 . HIS . 15327 1 24 . TRP . 15327 1 25 . ARG . 15327 1 26 . ASN . 15327 1 27 . ASP . 15327 1 28 . GLU . 15327 1 29 . PRO . 15327 1 30 . GLN . 15327 1 31 . PRO . 15327 1 32 . HIS . 15327 1 33 . GLN . 15327 1 34 . PHE . 15327 1 35 . ASN . 15327 1 36 . SER . 15327 1 37 . THR . 15327 1 38 . GLN . 15327 1 39 . PRO . 15327 1 40 . PHE . 15327 1 41 . PHE . 15327 1 42 . MET . 15327 1 43 . ASP . 15327 1 44 . THR . 15327 1 45 . MET . 15327 1 46 . GLU . 15327 1 47 . PRO . 15327 1 48 . LEU . 15327 1 49 . GLU . 15327 1 50 . TRP . 15327 1 51 . LEU . 15327 1 52 . GLN . 15327 1 53 . TRP . 15327 1 54 . VAL . 15327 1 55 . LEU . 15327 1 56 . ILE . 15327 1 57 . PRO . 15327 1 58 . ARG . 15327 1 59 . MET . 15327 1 60 . HIS . 15327 1 61 . ASP . 15327 1 62 . LEU . 15327 1 63 . LEU . 15327 1 64 . ASP . 15327 1 65 . ASN . 15327 1 66 . LYS . 15327 1 67 . GLN . 15327 1 68 . PRO . 15327 1 69 . LEU . 15327 1 70 . PRO . 15327 1 71 . GLY . 15327 1 72 . ALA . 15327 1 73 . PHE . 15327 1 74 . ALA . 15327 1 75 . VAL . 15327 1 76 . ALA . 15327 1 77 . PRO . 15327 1 78 . TYR . 15327 1 79 . TYR . 15327 1 80 . GLU . 15327 1 81 . MET . 15327 1 82 . ALA . 15327 1 83 . LEU . 15327 1 84 . ALA . 15327 1 85 . THR . 15327 1 86 . ASP . 15327 1 87 . HIS . 15327 1 88 . PRO . 15327 1 89 . GLN . 15327 1 90 . ARG . 15327 1 91 . ALA . 15327 1 92 . LEU . 15327 1 93 . ILE . 15327 1 94 . LEU . 15327 1 95 . ALA . 15327 1 96 . GLU . 15327 1 97 . LEU . 15327 1 98 . GLU . 15327 1 99 . LYS . 15327 1 100 . LEU . 15327 1 101 . ASP . 15327 1 102 . ALA . 15327 1 103 . LEU . 15327 1 104 . PHE . 15327 1 105 . ALA . 15327 1 106 . ASP . 15327 1 107 . ASP . 15327 1 108 . ALA . 15327 1 109 . SER . 15327 1 110 . LEU . 15327 1 111 . GLU . 15327 1 112 . HIS . 15327 1 113 . HIS . 15327 1 114 . HIS . 15327 1 115 . HIS . 15327 1 116 . HIS . 15327 1 117 . HIS . 15327 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 15327 1 . THR 2 2 15327 1 . THR 3 3 15327 1 . HIS 4 4 15327 1 . ASP 5 5 15327 1 . ARG 6 6 15327 1 . VAL 7 7 15327 1 . ARG 8 8 15327 1 . LEU 9 9 15327 1 . GLN 10 10 15327 1 . LEU 11 11 15327 1 . GLN 12 12 15327 1 . ALA 13 13 15327 1 . LEU 14 14 15327 1 . GLU 15 15 15327 1 . ALA 16 16 15327 1 . LEU 17 17 15327 1 . LEU 18 18 15327 1 . ARG 19 19 15327 1 . GLU 20 20 15327 1 . HIS 21 21 15327 1 . GLN 22 22 15327 1 . HIS 23 23 15327 1 . TRP 24 24 15327 1 . ARG 25 25 15327 1 . ASN 26 26 15327 1 . ASP 27 27 15327 1 . GLU 28 28 15327 1 . PRO 29 29 15327 1 . GLN 30 30 15327 1 . PRO 31 31 15327 1 . HIS 32 32 15327 1 . GLN 33 33 15327 1 . PHE 34 34 15327 1 . ASN 35 35 15327 1 . SER 36 36 15327 1 . THR 37 37 15327 1 . GLN 38 38 15327 1 . PRO 39 39 15327 1 . PHE 40 40 15327 1 . PHE 41 41 15327 1 . MET 42 42 15327 1 . ASP 43 43 15327 1 . THR 44 44 15327 1 . MET 45 45 15327 1 . GLU 46 46 15327 1 . PRO 47 47 15327 1 . LEU 48 48 15327 1 . GLU 49 49 15327 1 . TRP 50 50 15327 1 . LEU 51 51 15327 1 . GLN 52 52 15327 1 . TRP 53 53 15327 1 . VAL 54 54 15327 1 . LEU 55 55 15327 1 . ILE 56 56 15327 1 . PRO 57 57 15327 1 . ARG 58 58 15327 1 . MET 59 59 15327 1 . HIS 60 60 15327 1 . ASP 61 61 15327 1 . LEU 62 62 15327 1 . LEU 63 63 15327 1 . ASP 64 64 15327 1 . ASN 65 65 15327 1 . LYS 66 66 15327 1 . GLN 67 67 15327 1 . PRO 68 68 15327 1 . LEU 69 69 15327 1 . PRO 70 70 15327 1 . GLY 71 71 15327 1 . ALA 72 72 15327 1 . PHE 73 73 15327 1 . ALA 74 74 15327 1 . VAL 75 75 15327 1 . ALA 76 76 15327 1 . PRO 77 77 15327 1 . TYR 78 78 15327 1 . TYR 79 79 15327 1 . GLU 80 80 15327 1 . MET 81 81 15327 1 . ALA 82 82 15327 1 . LEU 83 83 15327 1 . ALA 84 84 15327 1 . THR 85 85 15327 1 . ASP 86 86 15327 1 . HIS 87 87 15327 1 . PRO 88 88 15327 1 . GLN 89 89 15327 1 . ARG 90 90 15327 1 . ALA 91 91 15327 1 . LEU 92 92 15327 1 . ILE 93 93 15327 1 . LEU 94 94 15327 1 . ALA 95 95 15327 1 . GLU 96 96 15327 1 . LEU 97 97 15327 1 . GLU 98 98 15327 1 . LYS 99 99 15327 1 . LEU 100 100 15327 1 . ASP 101 101 15327 1 . ALA 102 102 15327 1 . LEU 103 103 15327 1 . PHE 104 104 15327 1 . ALA 105 105 15327 1 . ASP 106 106 15327 1 . ASP 107 107 15327 1 . ALA 108 108 15327 1 . SER 109 109 15327 1 . LEU 110 110 15327 1 . GLU 111 111 15327 1 . HIS 112 112 15327 1 . HIS 113 113 15327 1 . HIS 114 114 15327 1 . HIS 115 115 15327 1 . HIS 116 116 15327 1 . HIS 117 117 15327 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 15327 _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 $YqcC . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . yqcc . . . . 15327 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 15327 _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 $YqcC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21 . . . . . . 15327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'sample produced in 5% U-13C-glucose media' _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 YqcC '[biosynthetically-directed-5% 13C; U-100% 15N]' . . 1 $YqcC . . 1.2 . . mM 0.25 . . . 15327 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15327 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15327 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15327 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15327 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15327 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15327 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'D2O sample' _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 YqcC '[U-100% 13C; U-100% 15N]' . . 1 $YqcC . . 1.2 . . mM 0.25 . . . 15327 2 2 D2O 100% . . . . . . 100 . . % . . . . 15327 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15327 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15327 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15327 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15327 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15327 _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' 115 . mM 15327 1 pH 6.5 0.1 pH 15327 1 pressure 1 . atm 15327 1 temperature 298 1 K 15327 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15327 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15327 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15327 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15327 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15327 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15327 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15327 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15327 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15327 1 2 spectrometer_2 Varian INOVA . 600 . . . 15327 1 3 spectrometer_3 Varian INOVA . 750 . . . 15327 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 15327 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 11 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 15 '4D 1H-13C-13C-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 16 '2D HBCBCGCDHD-aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15327 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15327 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15327 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15327 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15327 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15327 1 2 '2D 1H-13C HSQC' . . . 15327 1 3 '3D CBCA(CO)NH' . . . 15327 1 4 '3D HNCACB' . . . 15327 1 5 '3D HNCO' . . . 15327 1 6 '3D HCCH-TOCSY' . . . 15327 1 7 '3D HNHA' . . . 15327 1 8 '3D 1H-15N NOESY' . . . 15327 1 9 '3D 1H-13C NOESY' . . . 15327 1 10 '3D HN(CO)CA' . . . 15327 1 11 '3D HNCA' . . . 15327 1 12 '3D C(CO)NH' . . . 15327 1 13 '3D H(CCO)NH' . . . 15327 1 14 '3D HCCH-COSY' . . . 15327 1 15 '4D 1H-13C-13C-1H NOESY' . . . 15327 1 16 '2D HBCBCGCDHD-aromatic' . . . 15327 1 17 '2D 1H-13C HSQC' . . . 15327 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Felix . . 15327 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 THR C C 13 175.7 0.2 . 1 . . . . 2 THR C . 15327 1 2 . 1 1 3 3 THR H H 1 8.92 0.02 . 1 . . . . 3 THR H . 15327 1 3 . 1 1 3 3 THR HA H 1 3.87 0.02 . 1 . . . . 3 THR HA . 15327 1 4 . 1 1 3 3 THR HB H 1 4.10 0.02 . 1 . . . . 3 THR HB . 15327 1 5 . 1 1 3 3 THR HG21 H 1 1.10 0.02 . 1 . . . . 3 THR HG2 . 15327 1 6 . 1 1 3 3 THR HG22 H 1 1.10 0.02 . 1 . . . . 3 THR HG2 . 15327 1 7 . 1 1 3 3 THR HG23 H 1 1.10 0.02 . 1 . . . . 3 THR HG2 . 15327 1 8 . 1 1 3 3 THR CA C 13 66.6 0.2 . 1 . . . . 3 THR CA . 15327 1 9 . 1 1 3 3 THR CB C 13 67.9 0.2 . 1 . . . . 3 THR CB . 15327 1 10 . 1 1 3 3 THR CG2 C 13 23.0 0.2 . 1 . . . . 3 THR CG2 . 15327 1 11 . 1 1 3 3 THR N N 15 117.8 0.2 . 1 . . . . 3 THR N . 15327 1 12 . 1 1 4 4 HIS H H 1 8.34 0.02 . 1 . . . . 4 HIS H . 15327 1 13 . 1 1 4 4 HIS HA H 1 3.87 0.02 . 1 . . . . 4 HIS HA . 15327 1 14 . 1 1 4 4 HIS HB2 H 1 2.98 0.02 . 2 . . . . 4 HIS HB2 . 15327 1 15 . 1 1 4 4 HIS HB3 H 1 3.08 0.02 . 2 . . . . 4 HIS HB3 . 15327 1 16 . 1 1 4 4 HIS HD2 H 1 6.91 0.02 . 1 . . . . 4 HIS HD2 . 15327 1 17 . 1 1 4 4 HIS C C 13 177.1 0.2 . 1 . . . . 4 HIS C . 15327 1 18 . 1 1 4 4 HIS CA C 13 61.0 0.2 . 1 . . . . 4 HIS CA . 15327 1 19 . 1 1 4 4 HIS CB C 13 30.4 0.2 . 1 . . . . 4 HIS CB . 15327 1 20 . 1 1 4 4 HIS CD2 C 13 117.2 0.2 . 1 . . . . 4 HIS CD2 . 15327 1 21 . 1 1 4 4 HIS N N 15 120.2 0.2 . 1 . . . . 4 HIS N . 15327 1 22 . 1 1 5 5 ASP H H 1 7.76 0.02 . 1 . . . . 5 ASP H . 15327 1 23 . 1 1 5 5 ASP HA H 1 4.39 0.02 . 1 . . . . 5 ASP HA . 15327 1 24 . 1 1 5 5 ASP HB2 H 1 2.71 0.02 . 2 . . . . 5 ASP HB2 . 15327 1 25 . 1 1 5 5 ASP HB3 H 1 2.90 0.02 . 2 . . . . 5 ASP HB3 . 15327 1 26 . 1 1 5 5 ASP C C 13 178.9 0.2 . 1 . . . . 5 ASP C . 15327 1 27 . 1 1 5 5 ASP CA C 13 57.4 0.2 . 1 . . . . 5 ASP CA . 15327 1 28 . 1 1 5 5 ASP CB C 13 40.8 0.2 . 1 . . . . 5 ASP CB . 15327 1 29 . 1 1 5 5 ASP N N 15 118.8 0.2 . 1 . . . . 5 ASP N . 15327 1 30 . 1 1 6 6 ARG H H 1 8.05 0.02 . 1 . . . . 6 ARG H . 15327 1 31 . 1 1 6 6 ARG HA H 1 3.97 0.02 . 1 . . . . 6 ARG HA . 15327 1 32 . 1 1 6 6 ARG HB2 H 1 1.91 0.02 . 2 . . . . 6 ARG HB2 . 15327 1 33 . 1 1 6 6 ARG HB3 H 1 2.00 0.02 . 2 . . . . 6 ARG HB3 . 15327 1 34 . 1 1 6 6 ARG HD2 H 1 3.09 0.02 . 2 . . . . 6 ARG HD2 . 15327 1 35 . 1 1 6 6 ARG HD3 H 1 3.12 0.02 . 2 . . . . 6 ARG HD3 . 15327 1 36 . 1 1 6 6 ARG HG2 H 1 1.62 0.02 . 2 . . . . 6 ARG HG2 . 15327 1 37 . 1 1 6 6 ARG HG3 H 1 1.85 0.02 . 2 . . . . 6 ARG HG3 . 15327 1 38 . 1 1 6 6 ARG C C 13 179.6 0.2 . 1 . . . . 6 ARG C . 15327 1 39 . 1 1 6 6 ARG CA C 13 59.8 0.2 . 1 . . . . 6 ARG CA . 15327 1 40 . 1 1 6 6 ARG CB C 13 30.7 0.2 . 1 . . . . 6 ARG CB . 15327 1 41 . 1 1 6 6 ARG CD C 13 43.3 0.2 . 1 . . . . 6 ARG CD . 15327 1 42 . 1 1 6 6 ARG CG C 13 28.2 0.2 . 1 . . . . 6 ARG CG . 15327 1 43 . 1 1 6 6 ARG N N 15 119.9 0.2 . 1 . . . . 6 ARG N . 15327 1 44 . 1 1 7 7 VAL H H 1 8.57 0.02 . 1 . . . . 7 VAL H . 15327 1 45 . 1 1 7 7 VAL HA H 1 3.35 0.02 . 1 . . . . 7 VAL HA . 15327 1 46 . 1 1 7 7 VAL HB H 1 2.17 0.02 . 1 . . . . 7 VAL HB . 15327 1 47 . 1 1 7 7 VAL HG11 H 1 0.83 0.02 . 1 . . . . 7 VAL HG1 . 15327 1 48 . 1 1 7 7 VAL HG12 H 1 0.83 0.02 . 1 . . . . 7 VAL HG1 . 15327 1 49 . 1 1 7 7 VAL HG13 H 1 0.83 0.02 . 1 . . . . 7 VAL HG1 . 15327 1 50 . 1 1 7 7 VAL HG21 H 1 0.79 0.02 . 1 . . . . 7 VAL HG2 . 15327 1 51 . 1 1 7 7 VAL HG22 H 1 0.79 0.02 . 1 . . . . 7 VAL HG2 . 15327 1 52 . 1 1 7 7 VAL HG23 H 1 0.79 0.02 . 1 . . . . 7 VAL HG2 . 15327 1 53 . 1 1 7 7 VAL C C 13 177.3 0.2 . 1 . . . . 7 VAL C . 15327 1 54 . 1 1 7 7 VAL CA C 13 66.8 0.2 . 1 . . . . 7 VAL CA . 15327 1 55 . 1 1 7 7 VAL CB C 13 31.1 0.2 . 1 . . . . 7 VAL CB . 15327 1 56 . 1 1 7 7 VAL CG1 C 13 22.1 0.2 . 1 . . . . 7 VAL CG1 . 15327 1 57 . 1 1 7 7 VAL CG2 C 13 23.6 0.2 . 1 . . . . 7 VAL CG2 . 15327 1 58 . 1 1 7 7 VAL N N 15 121.9 0.2 . 1 . . . . 7 VAL N . 15327 1 59 . 1 1 8 8 ARG H H 1 8.07 0.02 . 1 . . . . 8 ARG H . 15327 1 60 . 1 1 8 8 ARG HA H 1 3.56 0.02 . 1 . . . . 8 ARG HA . 15327 1 61 . 1 1 8 8 ARG HB2 H 1 2.00 0.02 . 2 . . . . 8 ARG HB2 . 15327 1 62 . 1 1 8 8 ARG HB3 H 1 2.17 0.02 . 2 . . . . 8 ARG HB3 . 15327 1 63 . 1 1 8 8 ARG HD2 H 1 3.35 0.02 . 2 . . . . 8 ARG HD2 . 15327 1 64 . 1 1 8 8 ARG HD3 H 1 3.38 0.02 . 2 . . . . 8 ARG HD3 . 15327 1 65 . 1 1 8 8 ARG HE H 1 7.40 0.02 . 1 . . . . 8 ARG HE . 15327 1 66 . 1 1 8 8 ARG HG2 H 1 1.68 0.02 . 2 . . . . 8 ARG HG2 . 15327 1 67 . 1 1 8 8 ARG HG3 H 1 1.73 0.02 . 2 . . . . 8 ARG HG3 . 15327 1 68 . 1 1 8 8 ARG C C 13 178.4 0.2 . 1 . . . . 8 ARG C . 15327 1 69 . 1 1 8 8 ARG CA C 13 59.9 0.2 . 1 . . . . 8 ARG CA . 15327 1 70 . 1 1 8 8 ARG CB C 13 29.3 0.2 . 1 . . . . 8 ARG CB . 15327 1 71 . 1 1 8 8 ARG CD C 13 42.9 0.2 . 1 . . . . 8 ARG CD . 15327 1 72 . 1 1 8 8 ARG CG C 13 25.9 0.2 . 1 . . . . 8 ARG CG . 15327 1 73 . 1 1 8 8 ARG N N 15 120.5 0.2 . 1 . . . . 8 ARG N . 15327 1 74 . 1 1 8 8 ARG NE N 15 84.3 0.2 . 1 . . . . 8 ARG NE . 15327 1 75 . 1 1 9 9 LEU H H 1 7.74 0.02 . 1 . . . . 9 LEU H . 15327 1 76 . 1 1 9 9 LEU HA H 1 4.13 0.02 . 1 . . . . 9 LEU HA . 15327 1 77 . 1 1 9 9 LEU HB2 H 1 1.56 0.02 . 2 . . . . 9 LEU HB2 . 15327 1 78 . 1 1 9 9 LEU HB3 H 1 1.78 0.02 . 2 . . . . 9 LEU HB3 . 15327 1 79 . 1 1 9 9 LEU HD11 H 1 0.88 0.02 . 1 . . . . 9 LEU HD1 . 15327 1 80 . 1 1 9 9 LEU HD12 H 1 0.88 0.02 . 1 . . . . 9 LEU HD1 . 15327 1 81 . 1 1 9 9 LEU HD13 H 1 0.88 0.02 . 1 . . . . 9 LEU HD1 . 15327 1 82 . 1 1 9 9 LEU HD21 H 1 0.87 0.02 . 1 . . . . 9 LEU HD2 . 15327 1 83 . 1 1 9 9 LEU HD22 H 1 0.87 0.02 . 1 . . . . 9 LEU HD2 . 15327 1 84 . 1 1 9 9 LEU HD23 H 1 0.87 0.02 . 1 . . . . 9 LEU HD2 . 15327 1 85 . 1 1 9 9 LEU HG H 1 1.75 0.02 . 1 . . . . 9 LEU HG . 15327 1 86 . 1 1 9 9 LEU C C 13 179.9 0.2 . 1 . . . . 9 LEU C . 15327 1 87 . 1 1 9 9 LEU CA C 13 57.7 0.2 . 1 . . . . 9 LEU CA . 15327 1 88 . 1 1 9 9 LEU CB C 13 42.1 0.2 . 1 . . . . 9 LEU CB . 15327 1 89 . 1 1 9 9 LEU CD1 C 13 25.3 0.2 . 1 . . . . 9 LEU CD1 . 15327 1 90 . 1 1 9 9 LEU CD2 C 13 23.4 0.2 . 1 . . . . 9 LEU CD2 . 15327 1 91 . 1 1 9 9 LEU CG C 13 27.1 0.2 . 1 . . . . 9 LEU CG . 15327 1 92 . 1 1 9 9 LEU N N 15 117.1 0.2 . 1 . . . . 9 LEU N . 15327 1 93 . 1 1 10 10 GLN H H 1 8.01 0.02 . 1 . . . . 10 GLN H . 15327 1 94 . 1 1 10 10 GLN HA H 1 4.35 0.02 . 1 . . . . 10 GLN HA . 15327 1 95 . 1 1 10 10 GLN HB2 H 1 1.91 0.02 . 2 . . . . 10 GLN HB2 . 15327 1 96 . 1 1 10 10 GLN HB3 H 1 2.15 0.02 . 2 . . . . 10 GLN HB3 . 15327 1 97 . 1 1 10 10 GLN HE21 H 1 6.95 0.02 . 2 . . . . 10 GLN HE21 . 15327 1 98 . 1 1 10 10 GLN HE22 H 1 8.53 0.02 . 2 . . . . 10 GLN HE22 . 15327 1 99 . 1 1 10 10 GLN HG2 H 1 2.09 0.02 . 2 . . . . 10 GLN HG2 . 15327 1 100 . 1 1 10 10 GLN HG3 H 1 2.14 0.02 . 2 . . . . 10 GLN HG3 . 15327 1 101 . 1 1 10 10 GLN C C 13 178.7 0.2 . 1 . . . . 10 GLN C . 15327 1 102 . 1 1 10 10 GLN CA C 13 57.3 0.2 . 1 . . . . 10 GLN CA . 15327 1 103 . 1 1 10 10 GLN CB C 13 28.2 0.2 . 1 . . . . 10 GLN CB . 15327 1 104 . 1 1 10 10 GLN CG C 13 33.9 0.2 . 1 . . . . 10 GLN CG . 15327 1 105 . 1 1 10 10 GLN N N 15 121.0 0.2 . 1 . . . . 10 GLN N . 15327 1 106 . 1 1 10 10 GLN NE2 N 15 116.1 0.2 . 1 . . . . 10 GLN NE2 . 15327 1 107 . 1 1 11 11 LEU H H 1 8.72 0.02 . 1 . . . . 11 LEU H . 15327 1 108 . 1 1 11 11 LEU HA H 1 4.00 0.02 . 1 . . . . 11 LEU HA . 15327 1 109 . 1 1 11 11 LEU HB2 H 1 1.16 0.02 . 2 . . . . 11 LEU HB2 . 15327 1 110 . 1 1 11 11 LEU HB3 H 1 1.96 0.02 . 2 . . . . 11 LEU HB3 . 15327 1 111 . 1 1 11 11 LEU HD11 H 1 0.25 0.02 . 1 . . . . 11 LEU HD1 . 15327 1 112 . 1 1 11 11 LEU HD12 H 1 0.25 0.02 . 1 . . . . 11 LEU HD1 . 15327 1 113 . 1 1 11 11 LEU HD13 H 1 0.25 0.02 . 1 . . . . 11 LEU HD1 . 15327 1 114 . 1 1 11 11 LEU HD21 H 1 0.65 0.02 . 1 . . . . 11 LEU HD2 . 15327 1 115 . 1 1 11 11 LEU HD22 H 1 0.65 0.02 . 1 . . . . 11 LEU HD2 . 15327 1 116 . 1 1 11 11 LEU HD23 H 1 0.65 0.02 . 1 . . . . 11 LEU HD2 . 15327 1 117 . 1 1 11 11 LEU HG H 1 1.84 0.02 . 1 . . . . 11 LEU HG . 15327 1 118 . 1 1 11 11 LEU C C 13 181.1 0.2 . 1 . . . . 11 LEU C . 15327 1 119 . 1 1 11 11 LEU CA C 13 58.0 0.2 . 1 . . . . 11 LEU CA . 15327 1 120 . 1 1 11 11 LEU CB C 13 42.0 0.2 . 1 . . . . 11 LEU CB . 15327 1 121 . 1 1 11 11 LEU CD1 C 13 25.6 0.2 . 1 . . . . 11 LEU CD1 . 15327 1 122 . 1 1 11 11 LEU CD2 C 13 22.3 0.2 . 1 . . . . 11 LEU CD2 . 15327 1 123 . 1 1 11 11 LEU CG C 13 25.9 0.2 . 1 . . . . 11 LEU CG . 15327 1 124 . 1 1 11 11 LEU N N 15 120.9 0.2 . 1 . . . . 11 LEU N . 15327 1 125 . 1 1 12 12 GLN H H 1 8.15 0.02 . 1 . . . . 12 GLN H . 15327 1 126 . 1 1 12 12 GLN HA H 1 4.16 0.02 . 1 . . . . 12 GLN HA . 15327 1 127 . 1 1 12 12 GLN HB2 H 1 2.01 0.02 . 2 . . . . 12 GLN HB2 . 15327 1 128 . 1 1 12 12 GLN HB3 H 1 2.38 0.02 . 2 . . . . 12 GLN HB3 . 15327 1 129 . 1 1 12 12 GLN HE21 H 1 6.65 0.02 . 2 . . . . 12 GLN HE21 . 15327 1 130 . 1 1 12 12 GLN HE22 H 1 7.47 0.02 . 2 . . . . 12 GLN HE22 . 15327 1 131 . 1 1 12 12 GLN HG2 H 1 2.50 0.02 . 2 . . . . 12 GLN HG2 . 15327 1 132 . 1 1 12 12 GLN HG3 H 1 2.64 0.02 . 2 . . . . 12 GLN HG3 . 15327 1 133 . 1 1 12 12 GLN C C 13 178.8 0.2 . 1 . . . . 12 GLN C . 15327 1 134 . 1 1 12 12 GLN CA C 13 59.0 0.2 . 1 . . . . 12 GLN CA . 15327 1 135 . 1 1 12 12 GLN CB C 13 27.7 0.2 . 1 . . . . 12 GLN CB . 15327 1 136 . 1 1 12 12 GLN CG C 13 34.0 0.2 . 1 . . . . 12 GLN CG . 15327 1 137 . 1 1 12 12 GLN N N 15 120.9 0.2 . 1 . . . . 12 GLN N . 15327 1 138 . 1 1 12 12 GLN NE2 N 15 109.8 0.2 . 1 . . . . 12 GLN NE2 . 15327 1 139 . 1 1 13 13 ALA H H 1 8.26 0.02 . 1 . . . . 13 ALA H . 15327 1 140 . 1 1 13 13 ALA HA H 1 4.17 0.02 . 1 . . . . 13 ALA HA . 15327 1 141 . 1 1 13 13 ALA HB1 H 1 1.48 0.02 . 1 . . . . 13 ALA HB . 15327 1 142 . 1 1 13 13 ALA HB2 H 1 1.48 0.02 . 1 . . . . 13 ALA HB . 15327 1 143 . 1 1 13 13 ALA HB3 H 1 1.48 0.02 . 1 . . . . 13 ALA HB . 15327 1 144 . 1 1 13 13 ALA C C 13 180.9 0.2 . 1 . . . . 13 ALA C . 15327 1 145 . 1 1 13 13 ALA CA C 13 55.1 0.2 . 1 . . . . 13 ALA CA . 15327 1 146 . 1 1 13 13 ALA CB C 13 17.8 0.2 . 1 . . . . 13 ALA CB . 15327 1 147 . 1 1 13 13 ALA N N 15 124.8 0.2 . 1 . . . . 13 ALA N . 15327 1 148 . 1 1 14 14 LEU H H 1 8.18 0.02 . 1 . . . . 14 LEU H . 15327 1 149 . 1 1 14 14 LEU HA H 1 3.98 0.02 . 1 . . . . 14 LEU HA . 15327 1 150 . 1 1 14 14 LEU HB2 H 1 1.59 0.02 . 2 . . . . 14 LEU HB2 . 15327 1 151 . 1 1 14 14 LEU HB3 H 1 1.71 0.02 . 2 . . . . 14 LEU HB3 . 15327 1 152 . 1 1 14 14 LEU HD11 H 1 0.83 0.02 . 2 . . . . 14 LEU HD1 . 15327 1 153 . 1 1 14 14 LEU HD12 H 1 0.83 0.02 . 2 . . . . 14 LEU HD1 . 15327 1 154 . 1 1 14 14 LEU HD13 H 1 0.83 0.02 . 2 . . . . 14 LEU HD1 . 15327 1 155 . 1 1 14 14 LEU HD21 H 1 0.89 0.02 . 2 . . . . 14 LEU HD2 . 15327 1 156 . 1 1 14 14 LEU HD22 H 1 0.89 0.02 . 2 . . . . 14 LEU HD2 . 15327 1 157 . 1 1 14 14 LEU HD23 H 1 0.89 0.02 . 2 . . . . 14 LEU HD2 . 15327 1 158 . 1 1 14 14 LEU HG H 1 1.67 0.02 . 1 . . . . 14 LEU HG . 15327 1 159 . 1 1 14 14 LEU C C 13 177.2 0.2 . 1 . . . . 14 LEU C . 15327 1 160 . 1 1 14 14 LEU CA C 13 58.0 0.2 . 1 . . . . 14 LEU CA . 15327 1 161 . 1 1 14 14 LEU CB C 13 42.6 0.2 . 1 . . . . 14 LEU CB . 15327 1 162 . 1 1 14 14 LEU CD1 C 13 25.5 0.2 . 2 . . . . 14 LEU CD1 . 15327 1 163 . 1 1 14 14 LEU CD2 C 13 23.3 0.2 . 2 . . . . 14 LEU CD2 . 15327 1 164 . 1 1 14 14 LEU CG C 13 27.6 0.2 . 1 . . . . 14 LEU CG . 15327 1 165 . 1 1 14 14 LEU N N 15 120.2 0.2 . 1 . . . . 14 LEU N . 15327 1 166 . 1 1 15 15 GLU H H 1 7.96 0.02 . 1 . . . . 15 GLU H . 15327 1 167 . 1 1 15 15 GLU HA H 1 3.67 0.02 . 1 . . . . 15 GLU HA . 15327 1 168 . 1 1 15 15 GLU HB2 H 1 1.77 0.02 . 2 . . . . 15 GLU HB2 . 15327 1 169 . 1 1 15 15 GLU HB3 H 1 1.94 0.02 . 2 . . . . 15 GLU HB3 . 15327 1 170 . 1 1 15 15 GLU HG2 H 1 1.37 0.02 . 2 . . . . 15 GLU HG2 . 15327 1 171 . 1 1 15 15 GLU HG3 H 1 1.39 0.02 . 2 . . . . 15 GLU HG3 . 15327 1 172 . 1 1 15 15 GLU C C 13 177.1 0.2 . 1 . . . . 15 GLU C . 15327 1 173 . 1 1 15 15 GLU CA C 13 59.4 0.2 . 1 . . . . 15 GLU CA . 15327 1 174 . 1 1 15 15 GLU CB C 13 29.1 0.2 . 1 . . . . 15 GLU CB . 15327 1 175 . 1 1 15 15 GLU CG C 13 34.7 0.2 . 1 . . . . 15 GLU CG . 15327 1 176 . 1 1 15 15 GLU N N 15 119.0 0.2 . 1 . . . . 15 GLU N . 15327 1 177 . 1 1 16 16 ALA H H 1 8.20 0.02 . 1 . . . . 16 ALA H . 15327 1 178 . 1 1 16 16 ALA HA H 1 3.82 0.02 . 1 . . . . 16 ALA HA . 15327 1 179 . 1 1 16 16 ALA HB1 H 1 1.38 0.02 . 1 . . . . 16 ALA HB . 15327 1 180 . 1 1 16 16 ALA HB2 H 1 1.38 0.02 . 1 . . . . 16 ALA HB . 15327 1 181 . 1 1 16 16 ALA HB3 H 1 1.38 0.02 . 1 . . . . 16 ALA HB . 15327 1 182 . 1 1 16 16 ALA C C 13 180.0 0.2 . 1 . . . . 16 ALA C . 15327 1 183 . 1 1 16 16 ALA CA C 13 55.3 0.2 . 1 . . . . 16 ALA CA . 15327 1 184 . 1 1 16 16 ALA CB C 13 17.8 0.2 . 1 . . . . 16 ALA CB . 15327 1 185 . 1 1 16 16 ALA N N 15 119.8 0.2 . 1 . . . . 16 ALA N . 15327 1 186 . 1 1 17 17 LEU H H 1 7.77 0.02 . 1 . . . . 17 LEU H . 15327 1 187 . 1 1 17 17 LEU HA H 1 4.28 0.02 . 1 . . . . 17 LEU HA . 15327 1 188 . 1 1 17 17 LEU HB2 H 1 1.79 0.02 . 2 . . . . 17 LEU HB2 . 15327 1 189 . 1 1 17 17 LEU HB3 H 1 1.97 0.02 . 2 . . . . 17 LEU HB3 . 15327 1 190 . 1 1 17 17 LEU HD11 H 1 1.00 0.02 . 1 . . . . 17 LEU HD1 . 15327 1 191 . 1 1 17 17 LEU HD12 H 1 1.00 0.02 . 1 . . . . 17 LEU HD1 . 15327 1 192 . 1 1 17 17 LEU HD13 H 1 1.00 0.02 . 1 . . . . 17 LEU HD1 . 15327 1 193 . 1 1 17 17 LEU HD21 H 1 0.82 0.02 . 1 . . . . 17 LEU HD2 . 15327 1 194 . 1 1 17 17 LEU HD22 H 1 0.82 0.02 . 1 . . . . 17 LEU HD2 . 15327 1 195 . 1 1 17 17 LEU HD23 H 1 0.82 0.02 . 1 . . . . 17 LEU HD2 . 15327 1 196 . 1 1 17 17 LEU HG H 1 1.70 0.02 . 1 . . . . 17 LEU HG . 15327 1 197 . 1 1 17 17 LEU C C 13 178.9 0.2 . 1 . . . . 17 LEU C . 15327 1 198 . 1 1 17 17 LEU CA C 13 58.3 0.2 . 1 . . . . 17 LEU CA . 15327 1 199 . 1 1 17 17 LEU CB C 13 42.2 0.2 . 1 . . . . 17 LEU CB . 15327 1 200 . 1 1 17 17 LEU CD1 C 13 25.5 0.2 . 1 . . . . 17 LEU CD1 . 15327 1 201 . 1 1 17 17 LEU CD2 C 13 26.4 0.2 . 1 . . . . 17 LEU CD2 . 15327 1 202 . 1 1 17 17 LEU CG C 13 27.3 0.2 . 1 . . . . 17 LEU CG . 15327 1 203 . 1 1 17 17 LEU N N 15 120.1 0.2 . 1 . . . . 17 LEU N . 15327 1 204 . 1 1 18 18 LEU H H 1 8.08 0.02 . 1 . . . . 18 LEU H . 15327 1 205 . 1 1 18 18 LEU HA H 1 4.13 0.02 . 1 . . . . 18 LEU HA . 15327 1 206 . 1 1 18 18 LEU HB2 H 1 1.71 0.02 . 2 . . . . 18 LEU HB2 . 15327 1 207 . 1 1 18 18 LEU HB3 H 1 2.39 0.02 . 2 . . . . 18 LEU HB3 . 15327 1 208 . 1 1 18 18 LEU HD11 H 1 1.02 0.02 . 2 . . . . 18 LEU HD1 . 15327 1 209 . 1 1 18 18 LEU HD12 H 1 1.02 0.02 . 2 . . . . 18 LEU HD1 . 15327 1 210 . 1 1 18 18 LEU HD13 H 1 1.02 0.02 . 2 . . . . 18 LEU HD1 . 15327 1 211 . 1 1 18 18 LEU HD21 H 1 0.88 0.02 . 2 . . . . 18 LEU HD2 . 15327 1 212 . 1 1 18 18 LEU HD22 H 1 0.88 0.02 . 2 . . . . 18 LEU HD2 . 15327 1 213 . 1 1 18 18 LEU HD23 H 1 0.88 0.02 . 2 . . . . 18 LEU HD2 . 15327 1 214 . 1 1 18 18 LEU HG H 1 2.16 0.02 . 1 . . . . 18 LEU HG . 15327 1 215 . 1 1 18 18 LEU C C 13 179.8 0.2 . 1 . . . . 18 LEU C . 15327 1 216 . 1 1 18 18 LEU CA C 13 58.2 0.2 . 1 . . . . 18 LEU CA . 15327 1 217 . 1 1 18 18 LEU CB C 13 41.9 0.2 . 1 . . . . 18 LEU CB . 15327 1 218 . 1 1 18 18 LEU CD1 C 13 25.2 0.2 . 2 . . . . 18 LEU CD1 . 15327 1 219 . 1 1 18 18 LEU CD2 C 13 22.6 0.2 . 2 . . . . 18 LEU CD2 . 15327 1 220 . 1 1 18 18 LEU CG C 13 27.4 0.2 . 1 . . . . 18 LEU CG . 15327 1 221 . 1 1 18 18 LEU N N 15 117.7 0.2 . 1 . . . . 18 LEU N . 15327 1 222 . 1 1 19 19 ARG H H 1 8.66 0.02 . 1 . . . . 19 ARG H . 15327 1 223 . 1 1 19 19 ARG HA H 1 4.08 0.02 . 1 . . . . 19 ARG HA . 15327 1 224 . 1 1 19 19 ARG HB2 H 1 1.48 0.02 . 2 . . . . 19 ARG HB2 . 15327 1 225 . 1 1 19 19 ARG HB3 H 1 1.58 0.02 . 2 . . . . 19 ARG HB3 . 15327 1 226 . 1 1 19 19 ARG HD2 H 1 2.57 0.02 . 2 . . . . 19 ARG HD2 . 15327 1 227 . 1 1 19 19 ARG HD3 H 1 2.66 0.02 . 2 . . . . 19 ARG HD3 . 15327 1 228 . 1 1 19 19 ARG HE H 1 7.60 0.02 . 1 . . . . 19 ARG HE . 15327 1 229 . 1 1 19 19 ARG HG2 H 1 0.91 0.02 . 2 . . . . 19 ARG HG2 . 15327 1 230 . 1 1 19 19 ARG HG3 H 1 1.00 0.02 . 2 . . . . 19 ARG HG3 . 15327 1 231 . 1 1 19 19 ARG C C 13 180.3 0.2 . 1 . . . . 19 ARG C . 15327 1 232 . 1 1 19 19 ARG CA C 13 60.0 0.2 . 1 . . . . 19 ARG CA . 15327 1 233 . 1 1 19 19 ARG CB C 13 30.1 0.2 . 1 . . . . 19 ARG CB . 15327 1 234 . 1 1 19 19 ARG CD C 13 42.8 0.2 . 1 . . . . 19 ARG CD . 15327 1 235 . 1 1 19 19 ARG CG C 13 28.8 0.2 . 1 . . . . 19 ARG CG . 15327 1 236 . 1 1 19 19 ARG N N 15 118.8 0.2 . 1 . . . . 19 ARG N . 15327 1 237 . 1 1 19 19 ARG NE N 15 85.5 0.2 . 1 . . . . 19 ARG NE . 15327 1 238 . 1 1 20 20 GLU H H 1 8.57 0.02 . 1 . . . . 20 GLU H . 15327 1 239 . 1 1 20 20 GLU HA H 1 3.81 0.02 . 1 . . . . 20 GLU HA . 15327 1 240 . 1 1 20 20 GLU HB2 H 1 1.78 0.02 . 2 . . . . 20 GLU HB2 . 15327 1 241 . 1 1 20 20 GLU HB3 H 1 2.03 0.02 . 2 . . . . 20 GLU HB3 . 15327 1 242 . 1 1 20 20 GLU HG2 H 1 1.62 0.02 . 2 . . . . 20 GLU HG2 . 15327 1 243 . 1 1 20 20 GLU HG3 H 1 1.82 0.02 . 2 . . . . 20 GLU HG3 . 15327 1 244 . 1 1 20 20 GLU C C 13 177.5 0.2 . 1 . . . . 20 GLU C . 15327 1 245 . 1 1 20 20 GLU CA C 13 59.0 0.2 . 1 . . . . 20 GLU CA . 15327 1 246 . 1 1 20 20 GLU CB C 13 29.5 0.2 . 1 . . . . 20 GLU CB . 15327 1 247 . 1 1 20 20 GLU CG C 13 35.1 0.2 . 1 . . . . 20 GLU CG . 15327 1 248 . 1 1 20 20 GLU N N 15 122.1 0.2 . 1 . . . . 20 GLU N . 15327 1 249 . 1 1 21 21 HIS H H 1 7.15 0.02 . 1 . . . . 21 HIS H . 15327 1 250 . 1 1 21 21 HIS HA H 1 4.56 0.02 . 1 . . . . 21 HIS HA . 15327 1 251 . 1 1 21 21 HIS HB2 H 1 2.57 0.02 . 2 . . . . 21 HIS HB2 . 15327 1 252 . 1 1 21 21 HIS HB3 H 1 3.31 0.02 . 2 . . . . 21 HIS HB3 . 15327 1 253 . 1 1 21 21 HIS HD2 H 1 7.20 0.02 . 1 . . . . 21 HIS HD2 . 15327 1 254 . 1 1 21 21 HIS C C 13 172.5 0.2 . 1 . . . . 21 HIS C . 15327 1 255 . 1 1 21 21 HIS CA C 13 55.8 0.2 . 1 . . . . 21 HIS CA . 15327 1 256 . 1 1 21 21 HIS CB C 13 30.3 0.2 . 1 . . . . 21 HIS CB . 15327 1 257 . 1 1 21 21 HIS CD2 C 13 119.8 0.2 . 1 . . . . 21 HIS CD2 . 15327 1 258 . 1 1 21 21 HIS N N 15 113.3 0.2 . 1 . . . . 21 HIS N . 15327 1 259 . 1 1 22 22 GLN H H 1 7.54 0.02 . 1 . . . . 22 GLN H . 15327 1 260 . 1 1 22 22 GLN HA H 1 4.05 0.02 . 1 . . . . 22 GLN HA . 15327 1 261 . 1 1 22 22 GLN HB2 H 1 2.17 0.02 . 2 . . . . 22 GLN HB2 . 15327 1 262 . 1 1 22 22 GLN HB3 H 1 2.26 0.02 . 2 . . . . 22 GLN HB3 . 15327 1 263 . 1 1 22 22 GLN HE21 H 1 6.76 0.02 . 2 . . . . 22 GLN HE21 . 15327 1 264 . 1 1 22 22 GLN HE22 H 1 7.43 0.02 . 2 . . . . 22 GLN HE22 . 15327 1 265 . 1 1 22 22 GLN HG2 H 1 2.16 0.02 . 2 . . . . 22 GLN HG2 . 15327 1 266 . 1 1 22 22 GLN HG3 H 1 2.19 0.02 . 2 . . . . 22 GLN HG3 . 15327 1 267 . 1 1 22 22 GLN C C 13 175.1 0.2 . 1 . . . . 22 GLN C . 15327 1 268 . 1 1 22 22 GLN CA C 13 57.5 0.2 . 1 . . . . 22 GLN CA . 15327 1 269 . 1 1 22 22 GLN CB C 13 24.9 0.2 . 1 . . . . 22 GLN CB . 15327 1 270 . 1 1 22 22 GLN CG C 13 34.4 0.2 . 1 . . . . 22 GLN CG . 15327 1 271 . 1 1 22 22 GLN N N 15 110.3 0.2 . 1 . . . . 22 GLN N . 15327 1 272 . 1 1 22 22 GLN NE2 N 15 112.7 0.2 . 1 . . . . 22 GLN NE2 . 15327 1 273 . 1 1 23 23 HIS H H 1 8.49 0.02 . 1 . . . . 23 HIS H . 15327 1 274 . 1 1 23 23 HIS HA H 1 4.92 0.02 . 1 . . . . 23 HIS HA . 15327 1 275 . 1 1 23 23 HIS HB2 H 1 2.88 0.02 . 2 . . . . 23 HIS HB2 . 15327 1 276 . 1 1 23 23 HIS HB3 H 1 3.34 0.02 . 2 . . . . 23 HIS HB3 . 15327 1 277 . 1 1 23 23 HIS HD2 H 1 6.65 0.02 . 1 . . . . 23 HIS HD2 . 15327 1 278 . 1 1 23 23 HIS C C 13 174.7 0.2 . 1 . . . . 23 HIS C . 15327 1 279 . 1 1 23 23 HIS CA C 13 55.4 0.2 . 1 . . . . 23 HIS CA . 15327 1 280 . 1 1 23 23 HIS CB C 13 32.4 0.2 . 1 . . . . 23 HIS CB . 15327 1 281 . 1 1 23 23 HIS CD2 C 13 117.1 0.2 . 1 . . . . 23 HIS CD2 . 15327 1 282 . 1 1 23 23 HIS N N 15 115.5 0.2 . 1 . . . . 23 HIS N . 15327 1 283 . 1 1 24 24 TRP H H 1 7.18 0.02 . 1 . . . . 24 TRP H . 15327 1 284 . 1 1 24 24 TRP HA H 1 4.24 0.02 . 1 . . . . 24 TRP HA . 15327 1 285 . 1 1 24 24 TRP HB2 H 1 2.44 0.02 . 2 . . . . 24 TRP HB2 . 15327 1 286 . 1 1 24 24 TRP HB3 H 1 3.21 0.02 . 2 . . . . 24 TRP HB3 . 15327 1 287 . 1 1 24 24 TRP HD1 H 1 6.87 0.02 . 1 . . . . 24 TRP HD1 . 15327 1 288 . 1 1 24 24 TRP HE1 H 1 9.81 0.02 . 1 . . . . 24 TRP HE1 . 15327 1 289 . 1 1 24 24 TRP HE3 H 1 7.31 0.02 . 1 . . . . 24 TRP HE3 . 15327 1 290 . 1 1 24 24 TRP HH2 H 1 7.00 0.02 . 1 . . . . 24 TRP HH2 . 15327 1 291 . 1 1 24 24 TRP HZ2 H 1 7.31 0.02 . 1 . . . . 24 TRP HZ2 . 15327 1 292 . 1 1 24 24 TRP HZ3 H 1 6.66 0.02 . 1 . . . . 24 TRP HZ3 . 15327 1 293 . 1 1 24 24 TRP CA C 13 56.4 0.2 . 1 . . . . 24 TRP CA . 15327 1 294 . 1 1 24 24 TRP CB C 13 30.5 0.2 . 1 . . . . 24 TRP CB . 15327 1 295 . 1 1 24 24 TRP CD1 C 13 127.9 0.2 . 1 . . . . 24 TRP CD1 . 15327 1 296 . 1 1 24 24 TRP CE3 C 13 119.6 0.2 . 1 . . . . 24 TRP CE3 . 15327 1 297 . 1 1 24 24 TRP CH2 C 13 123.3 0.2 . 1 . . . . 24 TRP CH2 . 15327 1 298 . 1 1 24 24 TRP CZ2 C 13 115.4 0.2 . 1 . . . . 24 TRP CZ2 . 15327 1 299 . 1 1 24 24 TRP CZ3 C 13 119.6 0.2 . 1 . . . . 24 TRP CZ3 . 15327 1 300 . 1 1 24 24 TRP N N 15 120.7 0.2 . 1 . . . . 24 TRP N . 15327 1 301 . 1 1 24 24 TRP NE1 N 15 130.3 0.2 . 1 . . . . 24 TRP NE1 . 15327 1 302 . 1 1 29 29 PRO C C 13 176.2 0.2 . 1 . . . . 29 PRO C . 15327 1 303 . 1 1 29 29 PRO CA C 13 61.8 0.2 . 1 . . . . 29 PRO CA . 15327 1 304 . 1 1 29 29 PRO CB C 13 30.2 0.2 . 1 . . . . 29 PRO CB . 15327 1 305 . 1 1 30 30 GLN H H 1 8.45 0.02 . 1 . . . . 30 GLN H . 15327 1 306 . 1 1 30 30 GLN HA H 1 4.40 0.02 . 1 . . . . 30 GLN HA . 15327 1 307 . 1 1 30 30 GLN HB2 H 1 1.46 0.02 . 2 . . . . 30 GLN HB2 . 15327 1 308 . 1 1 30 30 GLN HB3 H 1 2.16 0.02 . 2 . . . . 30 GLN HB3 . 15327 1 309 . 1 1 30 30 GLN HE21 H 1 6.89 0.02 . 2 . . . . 30 GLN HE21 . 15327 1 310 . 1 1 30 30 GLN HE22 H 1 7.61 0.02 . 2 . . . . 30 GLN HE22 . 15327 1 311 . 1 1 30 30 GLN HG2 H 1 2.41 0.02 . 2 . . . . 30 GLN HG2 . 15327 1 312 . 1 1 30 30 GLN HG3 H 1 2.47 0.02 . 2 . . . . 30 GLN HG3 . 15327 1 313 . 1 1 30 30 GLN CA C 13 53.5 0.2 . 1 . . . . 30 GLN CA . 15327 1 314 . 1 1 30 30 GLN CB C 13 28.8 0.2 . 1 . . . . 30 GLN CB . 15327 1 315 . 1 1 30 30 GLN CG C 13 34.0 0.2 . 1 . . . . 30 GLN CG . 15327 1 316 . 1 1 30 30 GLN N N 15 120.3 0.2 . 1 . . . . 30 GLN N . 15327 1 317 . 1 1 30 30 GLN NE2 N 15 113.9 0.2 . 1 . . . . 30 GLN NE2 . 15327 1 318 . 1 1 31 31 PRO HA H 1 4.19 0.02 . 1 . . . . 31 PRO HA . 15327 1 319 . 1 1 31 31 PRO HB2 H 1 1.95 0.02 . 2 . . . . 31 PRO HB2 . 15327 1 320 . 1 1 31 31 PRO HB3 H 1 2.31 0.02 . 2 . . . . 31 PRO HB3 . 15327 1 321 . 1 1 31 31 PRO HD2 H 1 3.74 0.02 . 2 . . . . 31 PRO HD2 . 15327 1 322 . 1 1 31 31 PRO HD3 H 1 3.78 0.02 . 2 . . . . 31 PRO HD3 . 15327 1 323 . 1 1 31 31 PRO HG2 H 1 1.99 0.02 . 2 . . . . 31 PRO HG2 . 15327 1 324 . 1 1 31 31 PRO HG3 H 1 2.14 0.02 . 2 . . . . 31 PRO HG3 . 15327 1 325 . 1 1 31 31 PRO C C 13 179.4 0.2 . 1 . . . . 31 PRO C . 15327 1 326 . 1 1 31 31 PRO CA C 13 65.8 0.2 . 1 . . . . 31 PRO CA . 15327 1 327 . 1 1 31 31 PRO CB C 13 31.8 0.2 . 1 . . . . 31 PRO CB . 15327 1 328 . 1 1 31 31 PRO CD C 13 50.2 0.2 . 1 . . . . 31 PRO CD . 15327 1 329 . 1 1 31 31 PRO CG C 13 27.4 0.2 . 1 . . . . 31 PRO CG . 15327 1 330 . 1 1 32 32 HIS H H 1 8.01 0.02 . 1 . . . . 32 HIS H . 15327 1 331 . 1 1 32 32 HIS HA H 1 4.40 0.02 . 1 . . . . 32 HIS HA . 15327 1 332 . 1 1 32 32 HIS HB2 H 1 3.00 0.02 . 2 . . . . 32 HIS HB2 . 15327 1 333 . 1 1 32 32 HIS HB3 H 1 3.25 0.02 . 2 . . . . 32 HIS HB3 . 15327 1 334 . 1 1 32 32 HIS HD2 H 1 6.90 0.02 . 1 . . . . 32 HIS HD2 . 15327 1 335 . 1 1 32 32 HIS C C 13 178.3 0.2 . 1 . . . . 32 HIS C . 15327 1 336 . 1 1 32 32 HIS CA C 13 58.4 0.2 . 1 . . . . 32 HIS CA . 15327 1 337 . 1 1 32 32 HIS CB C 13 29.1 0.2 . 1 . . . . 32 HIS CB . 15327 1 338 . 1 1 32 32 HIS CD2 C 13 118.2 0.2 . 1 . . . . 32 HIS CD2 . 15327 1 339 . 1 1 32 32 HIS N N 15 112.8 0.2 . 1 . . . . 32 HIS N . 15327 1 340 . 1 1 33 33 GLN H H 1 7.85 0.02 . 1 . . . . 33 GLN H . 15327 1 341 . 1 1 33 33 GLN HA H 1 3.70 0.02 . 1 . . . . 33 GLN HA . 15327 1 342 . 1 1 33 33 GLN HB2 H 1 1.50 0.02 . 2 . . . . 33 GLN HB2 . 15327 1 343 . 1 1 33 33 GLN HB3 H 1 1.69 0.02 . 2 . . . . 33 GLN HB3 . 15327 1 344 . 1 1 33 33 GLN HG2 H 1 2.19 0.02 . 2 . . . . 33 GLN HG2 . 15327 1 345 . 1 1 33 33 GLN HG3 H 1 2.22 0.02 . 2 . . . . 33 GLN HG3 . 15327 1 346 . 1 1 33 33 GLN CA C 13 58.8 0.2 . 1 . . . . 33 GLN CA . 15327 1 347 . 1 1 33 33 GLN CB C 13 29.8 0.2 . 1 . . . . 33 GLN CB . 15327 1 348 . 1 1 33 33 GLN CG C 13 37.2 0.2 . 1 . . . . 33 GLN CG . 15327 1 349 . 1 1 33 33 GLN N N 15 119.5 0.2 . 1 . . . . 33 GLN N . 15327 1 350 . 1 1 34 34 PHE H H 1 7.18 0.02 . 1 . . . . 34 PHE H . 15327 1 351 . 1 1 34 34 PHE HA H 1 4.03 0.02 . 1 . . . . 34 PHE HA . 15327 1 352 . 1 1 34 34 PHE HB2 H 1 2.75 0.02 . 2 . . . . 34 PHE HB2 . 15327 1 353 . 1 1 34 34 PHE HB3 H 1 3.30 0.02 . 2 . . . . 34 PHE HB3 . 15327 1 354 . 1 1 34 34 PHE HD1 H 1 7.20 0.02 . 3 . . . . 34 PHE HD1 . 15327 1 355 . 1 1 34 34 PHE HE1 H 1 7.01 0.02 . 3 . . . . 34 PHE HE1 . 15327 1 356 . 1 1 34 34 PHE HZ H 1 6.95 0.02 . 1 . . . . 34 PHE HZ . 15327 1 357 . 1 1 34 34 PHE C C 13 174.7 0.2 . 1 . . . . 34 PHE C . 15327 1 358 . 1 1 34 34 PHE CA C 13 58.0 0.2 . 1 . . . . 34 PHE CA . 15327 1 359 . 1 1 34 34 PHE CB C 13 38.5 0.2 . 1 . . . . 34 PHE CB . 15327 1 360 . 1 1 34 34 PHE CD1 C 13 131.9 0.2 . 3 . . . . 34 PHE CD1 . 15327 1 361 . 1 1 34 34 PHE CE1 C 13 131.2 0.2 . 3 . . . . 34 PHE CE1 . 15327 1 362 . 1 1 34 34 PHE CZ C 13 129.0 0.2 . 1 . . . . 34 PHE CZ . 15327 1 363 . 1 1 34 34 PHE N N 15 113.4 0.2 . 1 . . . . 34 PHE N . 15327 1 364 . 1 1 35 35 ASN H H 1 7.16 0.02 . 1 . . . . 35 ASN H . 15327 1 365 . 1 1 35 35 ASN HA H 1 4.74 0.02 . 1 . . . . 35 ASN HA . 15327 1 366 . 1 1 35 35 ASN HB2 H 1 2.68 0.02 . 2 . . . . 35 ASN HB2 . 15327 1 367 . 1 1 35 35 ASN HB3 H 1 2.96 0.02 . 2 . . . . 35 ASN HB3 . 15327 1 368 . 1 1 35 35 ASN HD21 H 1 6.78 0.02 . 2 . . . . 35 ASN HD21 . 15327 1 369 . 1 1 35 35 ASN HD22 H 1 7.59 0.02 . 2 . . . . 35 ASN HD22 . 15327 1 370 . 1 1 35 35 ASN CA C 13 51.9 0.2 . 1 . . . . 35 ASN CA . 15327 1 371 . 1 1 35 35 ASN CB C 13 37.2 0.2 . 1 . . . . 35 ASN CB . 15327 1 372 . 1 1 35 35 ASN N N 15 118.7 0.2 . 1 . . . . 35 ASN N . 15327 1 373 . 1 1 35 35 ASN ND2 N 15 111.2 0.2 . 1 . . . . 35 ASN ND2 . 15327 1 374 . 1 1 36 36 SER HA H 1 4.50 0.02 . 1 . . . . 36 SER HA . 15327 1 375 . 1 1 36 36 SER HB2 H 1 3.76 0.02 . 2 . . . . 36 SER HB2 . 15327 1 376 . 1 1 36 36 SER HB3 H 1 3.80 0.02 . 2 . . . . 36 SER HB3 . 15327 1 377 . 1 1 36 36 SER C C 13 175.1 0.2 . 1 . . . . 36 SER C . 15327 1 378 . 1 1 36 36 SER CA C 13 56.4 0.2 . 1 . . . . 36 SER CA . 15327 1 379 . 1 1 36 36 SER CB C 13 63.1 0.2 . 1 . . . . 36 SER CB . 15327 1 380 . 1 1 37 37 THR H H 1 9.13 0.02 . 1 . . . . 37 THR H . 15327 1 381 . 1 1 37 37 THR HA H 1 4.53 0.02 . 1 . . . . 37 THR HA . 15327 1 382 . 1 1 37 37 THR HB H 1 4.54 0.02 . 1 . . . . 37 THR HB . 15327 1 383 . 1 1 37 37 THR HG21 H 1 1.13 0.02 . 1 . . . . 37 THR HG2 . 15327 1 384 . 1 1 37 37 THR HG22 H 1 1.13 0.02 . 1 . . . . 37 THR HG2 . 15327 1 385 . 1 1 37 37 THR HG23 H 1 1.13 0.02 . 1 . . . . 37 THR HG2 . 15327 1 386 . 1 1 37 37 THR C C 13 178.4 0.2 . 1 . . . . 37 THR C . 15327 1 387 . 1 1 37 37 THR CA C 13 60.7 0.2 . 1 . . . . 37 THR CA . 15327 1 388 . 1 1 37 37 THR CB C 13 68.8 0.2 . 1 . . . . 37 THR CB . 15327 1 389 . 1 1 37 37 THR CG2 C 13 21.3 0.2 . 1 . . . . 37 THR CG2 . 15327 1 390 . 1 1 37 37 THR N N 15 117.5 0.2 . 1 . . . . 37 THR N . 15327 1 391 . 1 1 38 38 GLN H H 1 8.84 0.02 . 1 . . . . 38 GLN H . 15327 1 392 . 1 1 38 38 GLN HA H 1 4.61 0.02 . 1 . . . . 38 GLN HA . 15327 1 393 . 1 1 38 38 GLN HB2 H 1 1.70 0.02 . 2 . . . . 38 GLN HB2 . 15327 1 394 . 1 1 38 38 GLN HB3 H 1 2.13 0.02 . 2 . . . . 38 GLN HB3 . 15327 1 395 . 1 1 38 38 GLN HE21 H 1 6.67 0.02 . 2 . . . . 38 GLN HE21 . 15327 1 396 . 1 1 38 38 GLN HE22 H 1 7.35 0.02 . 2 . . . . 38 GLN HE22 . 15327 1 397 . 1 1 38 38 GLN HG2 H 1 2.26 0.02 . 2 . . . . 38 GLN HG2 . 15327 1 398 . 1 1 38 38 GLN HG3 H 1 2.33 0.02 . 2 . . . . 38 GLN HG3 . 15327 1 399 . 1 1 38 38 GLN CA C 13 53.8 0.2 . 1 . . . . 38 GLN CA . 15327 1 400 . 1 1 38 38 GLN CB C 13 28.8 0.2 . 1 . . . . 38 GLN CB . 15327 1 401 . 1 1 38 38 GLN CG C 13 33.6 0.2 . 1 . . . . 38 GLN CG . 15327 1 402 . 1 1 38 38 GLN N N 15 122.9 0.2 . 1 . . . . 38 GLN N . 15327 1 403 . 1 1 38 38 GLN NE2 N 15 112.1 0.2 . 1 . . . . 38 GLN NE2 . 15327 1 404 . 1 1 39 39 PRO HA H 1 3.90 0.02 . 1 . . . . 39 PRO HA . 15327 1 405 . 1 1 39 39 PRO HB2 H 1 1.61 0.02 . 2 . . . . 39 PRO HB2 . 15327 1 406 . 1 1 39 39 PRO HB3 H 1 1.89 0.02 . 2 . . . . 39 PRO HB3 . 15327 1 407 . 1 1 39 39 PRO HD2 H 1 3.56 0.02 . 2 . . . . 39 PRO HD2 . 15327 1 408 . 1 1 39 39 PRO HD3 H 1 3.80 0.02 . 2 . . . . 39 PRO HD3 . 15327 1 409 . 1 1 39 39 PRO HG2 H 1 1.82 0.02 . 2 . . . . 39 PRO HG2 . 15327 1 410 . 1 1 39 39 PRO HG3 H 1 2.03 0.02 . 2 . . . . 39 PRO HG3 . 15327 1 411 . 1 1 39 39 PRO C C 13 176.5 0.2 . 1 . . . . 39 PRO C . 15327 1 412 . 1 1 39 39 PRO CA C 13 63.4 0.2 . 1 . . . . 39 PRO CA . 15327 1 413 . 1 1 39 39 PRO CB C 13 31.5 0.2 . 1 . . . . 39 PRO CB . 15327 1 414 . 1 1 39 39 PRO CD C 13 50.9 0.2 . 1 . . . . 39 PRO CD . 15327 1 415 . 1 1 39 39 PRO CG C 13 27.4 0.2 . 1 . . . . 39 PRO CG . 15327 1 416 . 1 1 40 40 PHE H H 1 7.82 0.02 . 1 . . . . 40 PHE H . 15327 1 417 . 1 1 40 40 PHE HB2 H 1 1.91 0.02 . 2 . . . . 40 PHE HB2 . 15327 1 418 . 1 1 40 40 PHE HB3 H 1 1.71 0.02 . 2 . . . . 40 PHE HB3 . 15327 1 419 . 1 1 40 40 PHE HD1 H 1 5.22 0.02 . 3 . . . . 40 PHE HD1 . 15327 1 420 . 1 1 40 40 PHE HE1 H 1 6.73 0.02 . 3 . . . . 40 PHE HE1 . 15327 1 421 . 1 1 40 40 PHE HZ H 1 6.96 0.02 . 1 . . . . 40 PHE HZ . 15327 1 422 . 1 1 40 40 PHE C C 13 172.7 0.2 . 1 . . . . 40 PHE C . 15327 1 423 . 1 1 40 40 PHE CA C 13 58.0 0.2 . 1 . . . . 40 PHE CA . 15327 1 424 . 1 1 40 40 PHE CB C 13 35.7 0.2 . 1 . . . . 40 PHE CB . 15327 1 425 . 1 1 40 40 PHE CD1 C 13 131.3 0.2 . 3 . . . . 40 PHE CD1 . 15327 1 426 . 1 1 40 40 PHE CE1 C 13 129.8 0.2 . 3 . . . . 40 PHE CE1 . 15327 1 427 . 1 1 40 40 PHE CZ C 13 127.8 0.2 . 1 . . . . 40 PHE CZ . 15327 1 428 . 1 1 40 40 PHE N N 15 117.0 0.2 . 1 . . . . 40 PHE N . 15327 1 429 . 1 1 41 41 PHE H H 1 8.10 0.02 . 1 . . . . 41 PHE H . 15327 1 430 . 1 1 41 41 PHE HA H 1 4.79 0.02 . 1 . . . . 41 PHE HA . 15327 1 431 . 1 1 41 41 PHE HB2 H 1 3.35 0.02 . 2 . . . . 41 PHE HB2 . 15327 1 432 . 1 1 41 41 PHE HB3 H 1 3.77 0.02 . 2 . . . . 41 PHE HB3 . 15327 1 433 . 1 1 41 41 PHE HD1 H 1 7.45 0.02 . 3 . . . . 41 PHE HD1 . 15327 1 434 . 1 1 41 41 PHE HE1 H 1 7.42 0.02 . 3 . . . . 41 PHE HE1 . 15327 1 435 . 1 1 41 41 PHE HZ H 1 7.45 0.02 . 1 . . . . 41 PHE HZ . 15327 1 436 . 1 1 41 41 PHE C C 13 179.0 0.2 . 1 . . . . 41 PHE C . 15327 1 437 . 1 1 41 41 PHE CA C 13 54.5 0.2 . 1 . . . . 41 PHE CA . 15327 1 438 . 1 1 41 41 PHE CB C 13 35.1 0.2 . 1 . . . . 41 PHE CB . 15327 1 439 . 1 1 41 41 PHE CD1 C 13 130.6 0.2 . 3 . . . . 41 PHE CD1 . 15327 1 440 . 1 1 41 41 PHE CE1 C 13 131.6 0.2 . 3 . . . . 41 PHE CE1 . 15327 1 441 . 1 1 41 41 PHE CZ C 13 128.7 0.2 . 1 . . . . 41 PHE CZ . 15327 1 442 . 1 1 41 41 PHE N N 15 113.2 0.2 . 1 . . . . 41 PHE N . 15327 1 443 . 1 1 42 42 MET H H 1 7.24 0.02 . 1 . . . . 42 MET H . 15327 1 444 . 1 1 42 42 MET HA H 1 4.16 0.02 . 1 . . . . 42 MET HA . 15327 1 445 . 1 1 42 42 MET HB2 H 1 2.14 0.02 . 2 . . . . 42 MET HB2 . 15327 1 446 . 1 1 42 42 MET HB3 H 1 2.20 0.02 . 2 . . . . 42 MET HB3 . 15327 1 447 . 1 1 42 42 MET HE1 H 1 2.11 0.02 . 1 . . . . 42 MET HE . 15327 1 448 . 1 1 42 42 MET HE2 H 1 2.11 0.02 . 1 . . . . 42 MET HE . 15327 1 449 . 1 1 42 42 MET HE3 H 1 2.11 0.02 . 1 . . . . 42 MET HE . 15327 1 450 . 1 1 42 42 MET HG2 H 1 2.47 0.02 . 2 . . . . 42 MET HG2 . 15327 1 451 . 1 1 42 42 MET HG3 H 1 2.67 0.02 . 2 . . . . 42 MET HG3 . 15327 1 452 . 1 1 42 42 MET C C 13 176.1 0.2 . 1 . . . . 42 MET C . 15327 1 453 . 1 1 42 42 MET CA C 13 59.3 0.2 . 1 . . . . 42 MET CA . 15327 1 454 . 1 1 42 42 MET CB C 13 33.2 0.2 . 1 . . . . 42 MET CB . 15327 1 455 . 1 1 42 42 MET CE C 13 16.7 0.2 . 1 . . . . 42 MET CE . 15327 1 456 . 1 1 42 42 MET CG C 13 30.4 0.2 . 1 . . . . 42 MET CG . 15327 1 457 . 1 1 42 42 MET N N 15 112.9 0.2 . 1 . . . . 42 MET N . 15327 1 458 . 1 1 43 43 ASP H H 1 9.55 0.02 . 1 . . . . 43 ASP H . 15327 1 459 . 1 1 43 43 ASP HA H 1 4.47 0.02 . 1 . . . . 43 ASP HA . 15327 1 460 . 1 1 43 43 ASP HB2 H 1 2.62 0.02 . 2 . . . . 43 ASP HB2 . 15327 1 461 . 1 1 43 43 ASP HB3 H 1 2.70 0.02 . 2 . . . . 43 ASP HB3 . 15327 1 462 . 1 1 43 43 ASP C C 13 177.3 0.2 . 1 . . . . 43 ASP C . 15327 1 463 . 1 1 43 43 ASP CA C 13 54.2 0.2 . 1 . . . . 43 ASP CA . 15327 1 464 . 1 1 43 43 ASP CB C 13 39.3 0.2 . 1 . . . . 43 ASP CB . 15327 1 465 . 1 1 43 43 ASP N N 15 115.4 0.2 . 1 . . . . 43 ASP N . 15327 1 466 . 1 1 44 44 THR H H 1 7.95 0.02 . 1 . . . . 44 THR H . 15327 1 467 . 1 1 44 44 THR HA H 1 4.64 0.02 . 1 . . . . 44 THR HA . 15327 1 468 . 1 1 44 44 THR HB H 1 4.24 0.02 . 1 . . . . 44 THR HB . 15327 1 469 . 1 1 44 44 THR HG21 H 1 0.97 0.02 . 1 . . . . 44 THR HG2 . 15327 1 470 . 1 1 44 44 THR HG22 H 1 0.97 0.02 . 1 . . . . 44 THR HG2 . 15327 1 471 . 1 1 44 44 THR HG23 H 1 0.97 0.02 . 1 . . . . 44 THR HG2 . 15327 1 472 . 1 1 44 44 THR C C 13 175.2 0.2 . 1 . . . . 44 THR C . 15327 1 473 . 1 1 44 44 THR CA C 13 62.1 0.2 . 1 . . . . 44 THR CA . 15327 1 474 . 1 1 44 44 THR CB C 13 70.2 0.2 . 1 . . . . 44 THR CB . 15327 1 475 . 1 1 44 44 THR CG2 C 13 22.5 0.2 . 1 . . . . 44 THR CG2 . 15327 1 476 . 1 1 44 44 THR N N 15 110.8 0.2 . 1 . . . . 44 THR N . 15327 1 477 . 1 1 45 45 MET H H 1 8.83 0.02 . 1 . . . . 45 MET H . 15327 1 478 . 1 1 45 45 MET HA H 1 5.01 0.02 . 1 . . . . 45 MET HA . 15327 1 479 . 1 1 45 45 MET HB2 H 1 2.13 0.02 . 2 . . . . 45 MET HB2 . 15327 1 480 . 1 1 45 45 MET HB3 H 1 2.17 0.02 . 2 . . . . 45 MET HB3 . 15327 1 481 . 1 1 45 45 MET HE1 H 1 2.02 0.02 . 1 . . . . 45 MET HE . 15327 1 482 . 1 1 45 45 MET HE2 H 1 2.02 0.02 . 1 . . . . 45 MET HE . 15327 1 483 . 1 1 45 45 MET HE3 H 1 2.02 0.02 . 1 . . . . 45 MET HE . 15327 1 484 . 1 1 45 45 MET HG2 H 1 2.62 0.02 . 2 . . . . 45 MET HG2 . 15327 1 485 . 1 1 45 45 MET HG3 H 1 2.83 0.02 . 2 . . . . 45 MET HG3 . 15327 1 486 . 1 1 45 45 MET CA C 13 55.8 0.2 . 1 . . . . 45 MET CA . 15327 1 487 . 1 1 45 45 MET CB C 13 36.2 0.2 . 1 . . . . 45 MET CB . 15327 1 488 . 1 1 45 45 MET CE C 13 16.8 0.2 . 1 . . . . 45 MET CE . 15327 1 489 . 1 1 45 45 MET CG C 13 34.2 0.2 . 1 . . . . 45 MET CG . 15327 1 490 . 1 1 45 45 MET N N 15 122.8 0.2 . 1 . . . . 45 MET N . 15327 1 491 . 1 1 46 46 GLU H H 1 9.30 0.02 . 1 . . . . 46 GLU H . 15327 1 492 . 1 1 46 46 GLU HA H 1 4.55 0.02 . 1 . . . . 46 GLU HA . 15327 1 493 . 1 1 46 46 GLU HB2 H 1 2.49 0.02 . 2 . . . . 46 GLU HB2 . 15327 1 494 . 1 1 46 46 GLU HB3 H 1 2.53 0.02 . 2 . . . . 46 GLU HB3 . 15327 1 495 . 1 1 46 46 GLU HG2 H 1 2.35 0.02 . 2 . . . . 46 GLU HG2 . 15327 1 496 . 1 1 46 46 GLU HG3 H 1 2.48 0.02 . 2 . . . . 46 GLU HG3 . 15327 1 497 . 1 1 46 46 GLU CA C 13 55.1 0.2 . 1 . . . . 46 GLU CA . 15327 1 498 . 1 1 46 46 GLU CB C 13 28.6 0.2 . 1 . . . . 46 GLU CB . 15327 1 499 . 1 1 46 46 GLU CG C 13 36.4 0.2 . 1 . . . . 46 GLU CG . 15327 1 500 . 1 1 46 46 GLU N N 15 124.2 0.2 . 1 . . . . 46 GLU N . 15327 1 501 . 1 1 47 47 PRO HA H 1 4.72 0.02 . 1 . . . . 47 PRO HA . 15327 1 502 . 1 1 47 47 PRO HB2 H 1 1.73 0.02 . 2 . . . . 47 PRO HB2 . 15327 1 503 . 1 1 47 47 PRO HB3 H 1 1.93 0.02 . 2 . . . . 47 PRO HB3 . 15327 1 504 . 1 1 47 47 PRO HD2 H 1 3.89 0.02 . 2 . . . . 47 PRO HD2 . 15327 1 505 . 1 1 47 47 PRO HD3 H 1 3.92 0.02 . 2 . . . . 47 PRO HD3 . 15327 1 506 . 1 1 47 47 PRO HG2 H 1 1.88 0.02 . 2 . . . . 47 PRO HG2 . 15327 1 507 . 1 1 47 47 PRO HG3 H 1 1.90 0.02 . 2 . . . . 47 PRO HG3 . 15327 1 508 . 1 1 47 47 PRO C C 13 181.6 0.2 . 1 . . . . 47 PRO C . 15327 1 509 . 1 1 47 47 PRO CA C 13 66.7 0.2 . 1 . . . . 47 PRO CA . 15327 1 510 . 1 1 47 47 PRO CB C 13 32.6 0.2 . 1 . . . . 47 PRO CB . 15327 1 511 . 1 1 47 47 PRO CD C 13 49.6 0.2 . 1 . . . . 47 PRO CD . 15327 1 512 . 1 1 47 47 PRO CG C 13 27.8 0.2 . 1 . . . . 47 PRO CG . 15327 1 513 . 1 1 48 48 LEU H H 1 9.96 0.02 . 1 . . . . 48 LEU H . 15327 1 514 . 1 1 48 48 LEU HA H 1 4.29 0.02 . 1 . . . . 48 LEU HA . 15327 1 515 . 1 1 48 48 LEU HD11 H 1 0.78 0.02 . 2 . . . . 48 LEU HD1 . 15327 1 516 . 1 1 48 48 LEU HD12 H 1 0.78 0.02 . 2 . . . . 48 LEU HD1 . 15327 1 517 . 1 1 48 48 LEU HD13 H 1 0.78 0.02 . 2 . . . . 48 LEU HD1 . 15327 1 518 . 1 1 48 48 LEU CA C 13 58.5 0.2 . 1 . . . . 48 LEU CA . 15327 1 519 . 1 1 48 48 LEU CB C 13 39.7 0.2 . 1 . . . . 48 LEU CB . 15327 1 520 . 1 1 48 48 LEU CD1 C 13 23.0 0.2 . 2 . . . . 48 LEU CD1 . 15327 1 521 . 1 1 48 48 LEU N N 15 120.7 0.2 . 1 . . . . 48 LEU N . 15327 1 522 . 1 1 50 50 TRP H H 1 7.97 0.02 . 1 . . . . 50 TRP H . 15327 1 523 . 1 1 50 50 TRP HA H 1 4.18 0.02 . 1 . . . . 50 TRP HA . 15327 1 524 . 1 1 50 50 TRP HB2 H 1 3.05 0.02 . 2 . . . . 50 TRP HB2 . 15327 1 525 . 1 1 50 50 TRP HB3 H 1 3.49 0.02 . 2 . . . . 50 TRP HB3 . 15327 1 526 . 1 1 50 50 TRP HD1 H 1 6.68 0.02 . 1 . . . . 50 TRP HD1 . 15327 1 527 . 1 1 50 50 TRP HE1 H 1 9.42 0.02 . 1 . . . . 50 TRP HE1 . 15327 1 528 . 1 1 50 50 TRP HE3 H 1 8.31 0.02 . 1 . . . . 50 TRP HE3 . 15327 1 529 . 1 1 50 50 TRP HH2 H 1 7.05 0.02 . 1 . . . . 50 TRP HH2 . 15327 1 530 . 1 1 50 50 TRP HZ2 H 1 7.09 0.02 . 1 . . . . 50 TRP HZ2 . 15327 1 531 . 1 1 50 50 TRP HZ3 H 1 7.19 0.02 . 1 . . . . 50 TRP HZ3 . 15327 1 532 . 1 1 50 50 TRP CA C 13 62.4 0.2 . 1 . . . . 50 TRP CA . 15327 1 533 . 1 1 50 50 TRP CB C 13 28.9 0.2 . 1 . . . . 50 TRP CB . 15327 1 534 . 1 1 50 50 TRP CD1 C 13 127.4 0.2 . 1 . . . . 50 TRP CD1 . 15327 1 535 . 1 1 50 50 TRP CE3 C 13 122.2 0.2 . 1 . . . . 50 TRP CE3 . 15327 1 536 . 1 1 50 50 TRP CH2 C 13 123.8 0.2 . 1 . . . . 50 TRP CH2 . 15327 1 537 . 1 1 50 50 TRP CZ2 C 13 114.1 0.2 . 1 . . . . 50 TRP CZ2 . 15327 1 538 . 1 1 50 50 TRP CZ3 C 13 121.8 0.2 . 1 . . . . 50 TRP CZ3 . 15327 1 539 . 1 1 50 50 TRP NE1 N 15 128.5 0.2 . 1 . . . . 50 TRP NE1 . 15327 1 540 . 1 1 51 51 LEU H H 1 7.46 0.02 . 1 . . . . 51 LEU H . 15327 1 541 . 1 1 51 51 LEU HA H 1 3.90 0.02 . 1 . . . . 51 LEU HA . 15327 1 542 . 1 1 51 51 LEU HB2 H 1 2.21 0.02 . 2 . . . . 51 LEU HB2 . 15327 1 543 . 1 1 51 51 LEU HB3 H 1 2.25 0.02 . 2 . . . . 51 LEU HB3 . 15327 1 544 . 1 1 51 51 LEU HD11 H 1 0.82 0.02 . 2 . . . . 51 LEU HD1 . 15327 1 545 . 1 1 51 51 LEU HD12 H 1 0.82 0.02 . 2 . . . . 51 LEU HD1 . 15327 1 546 . 1 1 51 51 LEU HD13 H 1 0.82 0.02 . 2 . . . . 51 LEU HD1 . 15327 1 547 . 1 1 51 51 LEU HD21 H 1 0.83 0.02 . 2 . . . . 51 LEU HD2 . 15327 1 548 . 1 1 51 51 LEU HD22 H 1 0.83 0.02 . 2 . . . . 51 LEU HD2 . 15327 1 549 . 1 1 51 51 LEU HD23 H 1 0.83 0.02 . 2 . . . . 51 LEU HD2 . 15327 1 550 . 1 1 51 51 LEU CA C 13 58.2 0.2 . 1 . . . . 51 LEU CA . 15327 1 551 . 1 1 51 51 LEU CB C 13 42.4 0.2 . 1 . . . . 51 LEU CB . 15327 1 552 . 1 1 51 51 LEU CD1 C 13 25.3 0.2 . 2 . . . . 51 LEU CD1 . 15327 1 553 . 1 1 51 51 LEU CD2 C 13 25.8 0.2 . 2 . . . . 51 LEU CD2 . 15327 1 554 . 1 1 51 51 LEU N N 15 117.6 0.2 . 1 . . . . 51 LEU N . 15327 1 555 . 1 1 53 53 TRP H H 1 8.52 0.02 . 1 . . . . 53 TRP H . 15327 1 556 . 1 1 53 53 TRP HA H 1 4.69 0.02 . 1 . . . . 53 TRP HA . 15327 1 557 . 1 1 53 53 TRP C C 13 176.3 0.2 . 1 . . . . 53 TRP C . 15327 1 558 . 1 1 53 53 TRP CA C 13 56.6 0.2 . 1 . . . . 53 TRP CA . 15327 1 559 . 1 1 53 53 TRP CB C 13 29.8 0.2 . 1 . . . . 53 TRP CB . 15327 1 560 . 1 1 54 54 VAL H H 1 7.64 0.02 . 1 . . . . 54 VAL H . 15327 1 561 . 1 1 54 54 VAL HA H 1 4.03 0.02 . 1 . . . . 54 VAL HA . 15327 1 562 . 1 1 54 54 VAL HB H 1 0.63 0.02 . 1 . . . . 54 VAL HB . 15327 1 563 . 1 1 54 54 VAL HG11 H 1 0.38 0.02 . 1 . . . . 54 VAL HG1 . 15327 1 564 . 1 1 54 54 VAL HG12 H 1 0.38 0.02 . 1 . . . . 54 VAL HG1 . 15327 1 565 . 1 1 54 54 VAL HG13 H 1 0.38 0.02 . 1 . . . . 54 VAL HG1 . 15327 1 566 . 1 1 54 54 VAL HG21 H 1 0.67 0.02 . 1 . . . . 54 VAL HG2 . 15327 1 567 . 1 1 54 54 VAL HG22 H 1 0.67 0.02 . 1 . . . . 54 VAL HG2 . 15327 1 568 . 1 1 54 54 VAL HG23 H 1 0.67 0.02 . 1 . . . . 54 VAL HG2 . 15327 1 569 . 1 1 54 54 VAL C C 13 175.2 0.2 . 1 . . . . 54 VAL C . 15327 1 570 . 1 1 54 54 VAL CA C 13 64.3 0.2 . 1 . . . . 54 VAL CA . 15327 1 571 . 1 1 54 54 VAL CB C 13 31.9 0.2 . 1 . . . . 54 VAL CB . 15327 1 572 . 1 1 54 54 VAL CG1 C 13 20.6 0.2 . 1 . . . . 54 VAL CG1 . 15327 1 573 . 1 1 54 54 VAL CG2 C 13 21.7 0.2 . 1 . . . . 54 VAL CG2 . 15327 1 574 . 1 1 54 54 VAL N N 15 118.3 0.2 . 1 . . . . 54 VAL N . 15327 1 575 . 1 1 55 55 LEU H H 1 6.96 0.02 . 1 . . . . 55 LEU H . 15327 1 576 . 1 1 55 55 LEU HA H 1 3.42 0.02 . 1 . . . . 55 LEU HA . 15327 1 577 . 1 1 55 55 LEU HB2 H 1 1.63 0.02 . 2 . . . . 55 LEU HB2 . 15327 1 578 . 1 1 55 55 LEU HB3 H 1 1.65 0.02 . 2 . . . . 55 LEU HB3 . 15327 1 579 . 1 1 55 55 LEU HD11 H 1 1.02 0.02 . 1 . . . . 55 LEU HD1 . 15327 1 580 . 1 1 55 55 LEU HD12 H 1 1.02 0.02 . 1 . . . . 55 LEU HD1 . 15327 1 581 . 1 1 55 55 LEU HD13 H 1 1.02 0.02 . 1 . . . . 55 LEU HD1 . 15327 1 582 . 1 1 55 55 LEU HD21 H 1 0.94 0.02 . 1 . . . . 55 LEU HD2 . 15327 1 583 . 1 1 55 55 LEU HD22 H 1 0.94 0.02 . 1 . . . . 55 LEU HD2 . 15327 1 584 . 1 1 55 55 LEU HD23 H 1 0.94 0.02 . 1 . . . . 55 LEU HD2 . 15327 1 585 . 1 1 55 55 LEU HG H 1 1.47 0.02 . 1 . . . . 55 LEU HG . 15327 1 586 . 1 1 55 55 LEU C C 13 177.6 0.2 . 1 . . . . 55 LEU C . 15327 1 587 . 1 1 55 55 LEU CA C 13 59.1 0.2 . 1 . . . . 55 LEU CA . 15327 1 588 . 1 1 55 55 LEU CB C 13 40.4 0.2 . 1 . . . . 55 LEU CB . 15327 1 589 . 1 1 55 55 LEU CD1 C 13 24.0 0.2 . 1 . . . . 55 LEU CD1 . 15327 1 590 . 1 1 55 55 LEU CD2 C 13 25.5 0.2 . 1 . . . . 55 LEU CD2 . 15327 1 591 . 1 1 55 55 LEU CG C 13 27.6 0.2 . 1 . . . . 55 LEU CG . 15327 1 592 . 1 1 55 55 LEU N N 15 119.0 0.2 . 1 . . . . 55 LEU N . 15327 1 593 . 1 1 56 56 ILE H H 1 8.00 0.02 . 1 . . . . 56 ILE H . 15327 1 594 . 1 1 56 56 ILE HA H 1 3.67 0.02 . 1 . . . . 56 ILE HA . 15327 1 595 . 1 1 56 56 ILE HB H 1 2.26 0.02 . 1 . . . . 56 ILE HB . 15327 1 596 . 1 1 56 56 ILE HD11 H 1 1.01 0.02 . 1 . . . . 56 ILE HD1 . 15327 1 597 . 1 1 56 56 ILE HD12 H 1 1.01 0.02 . 1 . . . . 56 ILE HD1 . 15327 1 598 . 1 1 56 56 ILE HD13 H 1 1.01 0.02 . 1 . . . . 56 ILE HD1 . 15327 1 599 . 1 1 56 56 ILE HG12 H 1 0.98 0.02 . 2 . . . . 56 ILE HG12 . 15327 1 600 . 1 1 56 56 ILE HG13 H 1 1.78 0.02 . 2 . . . . 56 ILE HG13 . 15327 1 601 . 1 1 56 56 ILE HG21 H 1 1.23 0.02 . 1 . . . . 56 ILE HG2 . 15327 1 602 . 1 1 56 56 ILE HG22 H 1 1.23 0.02 . 1 . . . . 56 ILE HG2 . 15327 1 603 . 1 1 56 56 ILE HG23 H 1 1.23 0.02 . 1 . . . . 56 ILE HG2 . 15327 1 604 . 1 1 56 56 ILE CA C 13 68.3 0.2 . 1 . . . . 56 ILE CA . 15327 1 605 . 1 1 56 56 ILE CB C 13 36.6 0.2 . 1 . . . . 56 ILE CB . 15327 1 606 . 1 1 56 56 ILE CD1 C 13 14.1 0.2 . 1 . . . . 56 ILE CD1 . 15327 1 607 . 1 1 56 56 ILE CG1 C 13 31.4 0.2 . 1 . . . . 56 ILE CG1 . 15327 1 608 . 1 1 56 56 ILE CG2 C 13 18.1 0.2 . 1 . . . . 56 ILE CG2 . 15327 1 609 . 1 1 56 56 ILE N N 15 114.3 0.2 . 1 . . . . 56 ILE N . 15327 1 610 . 1 1 57 57 PRO HA H 1 4.48 0.02 . 1 . . . . 57 PRO HA . 15327 1 611 . 1 1 57 57 PRO HB2 H 1 1.85 0.02 . 2 . . . . 57 PRO HB2 . 15327 1 612 . 1 1 57 57 PRO HB3 H 1 2.31 0.02 . 2 . . . . 57 PRO HB3 . 15327 1 613 . 1 1 57 57 PRO HD2 H 1 3.14 0.02 . 2 . . . . 57 PRO HD2 . 15327 1 614 . 1 1 57 57 PRO HD3 H 1 3.51 0.02 . 2 . . . . 57 PRO HD3 . 15327 1 615 . 1 1 57 57 PRO HG2 H 1 1.91 0.02 . 2 . . . . 57 PRO HG2 . 15327 1 616 . 1 1 57 57 PRO HG3 H 1 1.96 0.02 . 2 . . . . 57 PRO HG3 . 15327 1 617 . 1 1 57 57 PRO C C 13 180.2 0.2 . 1 . . . . 57 PRO C . 15327 1 618 . 1 1 57 57 PRO CA C 13 65.7 0.2 . 1 . . . . 57 PRO CA . 15327 1 619 . 1 1 57 57 PRO CB C 13 30.7 0.2 . 1 . . . . 57 PRO CB . 15327 1 620 . 1 1 57 57 PRO CD C 13 49.8 0.2 . 1 . . . . 57 PRO CD . 15327 1 621 . 1 1 57 57 PRO CG C 13 28.7 0.2 . 1 . . . . 57 PRO CG . 15327 1 622 . 1 1 58 58 ARG H H 1 7.82 0.02 . 1 . . . . 58 ARG H . 15327 1 623 . 1 1 58 58 ARG HA H 1 4.15 0.02 . 1 . . . . 58 ARG HA . 15327 1 624 . 1 1 58 58 ARG HB2 H 1 1.73 0.02 . 1 . . . . 58 ARG HB2 . 15327 1 625 . 1 1 58 58 ARG HB3 H 1 1.97 0.02 . 1 . . . . 58 ARG HB3 . 15327 1 626 . 1 1 58 58 ARG HD2 H 1 3.01 0.02 . 2 . . . . 58 ARG HD2 . 15327 1 627 . 1 1 58 58 ARG HD3 H 1 3.12 0.02 . 2 . . . . 58 ARG HD3 . 15327 1 628 . 1 1 58 58 ARG HE H 1 7.38 0.02 . 1 . . . . 58 ARG HE . 15327 1 629 . 1 1 58 58 ARG HG2 H 1 1.69 0.02 . 2 . . . . 58 ARG HG2 . 15327 1 630 . 1 1 58 58 ARG HG3 H 1 1.84 0.02 . 2 . . . . 58 ARG HG3 . 15327 1 631 . 1 1 58 58 ARG C C 13 179.9 0.2 . 1 . . . . 58 ARG C . 15327 1 632 . 1 1 58 58 ARG CA C 13 59.3 0.2 . 1 . . . . 58 ARG CA . 15327 1 633 . 1 1 58 58 ARG CB C 13 29.8 0.2 . 1 . . . . 58 ARG CB . 15327 1 634 . 1 1 58 58 ARG CD C 13 43.5 0.2 . 1 . . . . 58 ARG CD . 15327 1 635 . 1 1 58 58 ARG CG C 13 27.5 0.2 . 1 . . . . 58 ARG CG . 15327 1 636 . 1 1 58 58 ARG N N 15 116.3 0.2 . 1 . . . . 58 ARG N . 15327 1 637 . 1 1 58 58 ARG NE N 15 85.2 0.2 . 1 . . . . 58 ARG NE . 15327 1 638 . 1 1 59 59 MET H H 1 8.52 0.02 . 1 . . . . 59 MET H . 15327 1 639 . 1 1 59 59 MET HA H 1 4.43 0.02 . 1 . . . . 59 MET HA . 15327 1 640 . 1 1 59 59 MET HB2 H 1 1.76 0.02 . 2 . . . . 59 MET HB2 . 15327 1 641 . 1 1 59 59 MET HB3 H 1 2.19 0.02 . 2 . . . . 59 MET HB3 . 15327 1 642 . 1 1 59 59 MET HE1 H 1 1.60 0.02 . 1 . . . . 59 MET HE . 15327 1 643 . 1 1 59 59 MET HE2 H 1 1.60 0.02 . 1 . . . . 59 MET HE . 15327 1 644 . 1 1 59 59 MET HE3 H 1 1.60 0.02 . 1 . . . . 59 MET HE . 15327 1 645 . 1 1 59 59 MET HG2 H 1 2.41 0.02 . 2 . . . . 59 MET HG2 . 15327 1 646 . 1 1 59 59 MET HG3 H 1 2.56 0.02 . 2 . . . . 59 MET HG3 . 15327 1 647 . 1 1 59 59 MET C C 13 178.6 0.2 . 1 . . . . 59 MET C . 15327 1 648 . 1 1 59 59 MET CA C 13 57.0 0.2 . 1 . . . . 59 MET CA . 15327 1 649 . 1 1 59 59 MET CB C 13 31.6 0.2 . 1 . . . . 59 MET CB . 15327 1 650 . 1 1 59 59 MET CE C 13 17.8 0.2 . 1 . . . . 59 MET CE . 15327 1 651 . 1 1 59 59 MET CG C 13 33.5 0.2 . 1 . . . . 59 MET CG . 15327 1 652 . 1 1 59 59 MET N N 15 119.6 0.2 . 1 . . . . 59 MET N . 15327 1 653 . 1 1 60 60 HIS H H 1 8.34 0.02 . 1 . . . . 60 HIS H . 15327 1 654 . 1 1 60 60 HIS HA H 1 4.28 0.02 . 1 . . . . 60 HIS HA . 15327 1 655 . 1 1 60 60 HIS HB2 H 1 3.02 0.02 . 2 . . . . 60 HIS HB2 . 15327 1 656 . 1 1 60 60 HIS HB3 H 1 3.12 0.02 . 2 . . . . 60 HIS HB3 . 15327 1 657 . 1 1 60 60 HIS HD2 H 1 6.98 0.02 . 1 . . . . 60 HIS HD2 . 15327 1 658 . 1 1 60 60 HIS HE1 H 1 7.57 0.02 . 1 . . . . 60 HIS HE1 . 15327 1 659 . 1 1 60 60 HIS C C 13 178.0 0.2 . 1 . . . . 60 HIS C . 15327 1 660 . 1 1 60 60 HIS CA C 13 61.0 0.2 . 1 . . . . 60 HIS CA . 15327 1 661 . 1 1 60 60 HIS CB C 13 30.2 0.2 . 1 . . . . 60 HIS CB . 15327 1 662 . 1 1 60 60 HIS CD2 C 13 119.6 0.2 . 1 . . . . 60 HIS CD2 . 15327 1 663 . 1 1 60 60 HIS CE1 C 13 137.2 0.2 . 1 . . . . 60 HIS CE1 . 15327 1 664 . 1 1 60 60 HIS N N 15 118.6 0.2 . 1 . . . . 60 HIS N . 15327 1 665 . 1 1 61 61 ASP H H 1 7.81 0.02 . 1 . . . . 61 ASP H . 15327 1 666 . 1 1 61 61 ASP HA H 1 4.35 0.02 . 1 . . . . 61 ASP HA . 15327 1 667 . 1 1 61 61 ASP HB2 H 1 2.68 0.02 . 2 . . . . 61 ASP HB2 . 15327 1 668 . 1 1 61 61 ASP HB3 H 1 2.79 0.02 . 2 . . . . 61 ASP HB3 . 15327 1 669 . 1 1 61 61 ASP C C 13 178.2 0.2 . 1 . . . . 61 ASP C . 15327 1 670 . 1 1 61 61 ASP CA C 13 57.8 0.2 . 1 . . . . 61 ASP CA . 15327 1 671 . 1 1 61 61 ASP CB C 13 41.1 0.2 . 1 . . . . 61 ASP CB . 15327 1 672 . 1 1 61 61 ASP N N 15 118.5 0.2 . 1 . . . . 61 ASP N . 15327 1 673 . 1 1 62 62 LEU H H 1 7.68 0.02 . 1 . . . . 62 LEU H . 15327 1 674 . 1 1 62 62 LEU HA H 1 4.04 0.02 . 1 . . . . 62 LEU HA . 15327 1 675 . 1 1 62 62 LEU HB2 H 1 1.63 0.02 . 2 . . . . 62 LEU HB2 . 15327 1 676 . 1 1 62 62 LEU HB3 H 1 1.90 0.02 . 2 . . . . 62 LEU HB3 . 15327 1 677 . 1 1 62 62 LEU HD11 H 1 0.89 0.02 . 1 . . . . 62 LEU HD1 . 15327 1 678 . 1 1 62 62 LEU HD12 H 1 0.89 0.02 . 1 . . . . 62 LEU HD1 . 15327 1 679 . 1 1 62 62 LEU HD13 H 1 0.89 0.02 . 1 . . . . 62 LEU HD1 . 15327 1 680 . 1 1 62 62 LEU HD21 H 1 0.79 0.02 . 1 . . . . 62 LEU HD2 . 15327 1 681 . 1 1 62 62 LEU HD22 H 1 0.79 0.02 . 1 . . . . 62 LEU HD2 . 15327 1 682 . 1 1 62 62 LEU HD23 H 1 0.79 0.02 . 1 . . . . 62 LEU HD2 . 15327 1 683 . 1 1 62 62 LEU HG H 1 1.83 0.02 . 1 . . . . 62 LEU HG . 15327 1 684 . 1 1 62 62 LEU C C 13 179.8 0.2 . 1 . . . . 62 LEU C . 15327 1 685 . 1 1 62 62 LEU CA C 13 58.9 0.2 . 1 . . . . 62 LEU CA . 15327 1 686 . 1 1 62 62 LEU CB C 13 42.1 0.2 . 1 . . . . 62 LEU CB . 15327 1 687 . 1 1 62 62 LEU CD1 C 13 26.6 0.2 . 1 . . . . 62 LEU CD1 . 15327 1 688 . 1 1 62 62 LEU CD2 C 13 23.9 0.2 . 1 . . . . 62 LEU CD2 . 15327 1 689 . 1 1 62 62 LEU CG C 13 27.0 0.2 . 1 . . . . 62 LEU CG . 15327 1 690 . 1 1 62 62 LEU N N 15 121.2 0.2 . 1 . . . . 62 LEU N . 15327 1 691 . 1 1 63 63 LEU H H 1 8.08 0.02 . 1 . . . . 63 LEU H . 15327 1 692 . 1 1 63 63 LEU HA H 1 4.06 0.02 . 1 . . . . 63 LEU HA . 15327 1 693 . 1 1 63 63 LEU HB2 H 1 1.41 0.02 . 2 . . . . 63 LEU HB2 . 15327 1 694 . 1 1 63 63 LEU HB3 H 1 2.05 0.02 . 2 . . . . 63 LEU HB3 . 15327 1 695 . 1 1 63 63 LEU HD11 H 1 0.69 0.02 . 1 . . . . 63 LEU HD1 . 15327 1 696 . 1 1 63 63 LEU HD12 H 1 0.69 0.02 . 1 . . . . 63 LEU HD1 . 15327 1 697 . 1 1 63 63 LEU HD13 H 1 0.69 0.02 . 1 . . . . 63 LEU HD1 . 15327 1 698 . 1 1 63 63 LEU HD21 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 15327 1 699 . 1 1 63 63 LEU HD22 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 15327 1 700 . 1 1 63 63 LEU HD23 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 15327 1 701 . 1 1 63 63 LEU HG H 1 1.99 0.02 . 1 . . . . 63 LEU HG . 15327 1 702 . 1 1 63 63 LEU C C 13 181.6 0.2 . 1 . . . . 63 LEU C . 15327 1 703 . 1 1 63 63 LEU CA C 13 57.6 0.2 . 1 . . . . 63 LEU CA . 15327 1 704 . 1 1 63 63 LEU CB C 13 41.0 0.2 . 1 . . . . 63 LEU CB . 15327 1 705 . 1 1 63 63 LEU CD1 C 13 25.9 0.2 . 1 . . . . 63 LEU CD1 . 15327 1 706 . 1 1 63 63 LEU CD2 C 13 22.9 0.2 . 1 . . . . 63 LEU CD2 . 15327 1 707 . 1 1 63 63 LEU CG C 13 26.2 0.2 . 1 . . . . 63 LEU CG . 15327 1 708 . 1 1 63 63 LEU N N 15 118.3 0.2 . 1 . . . . 63 LEU N . 15327 1 709 . 1 1 64 64 ASP H H 1 9.09 0.02 . 1 . . . . 64 ASP H . 15327 1 710 . 1 1 64 64 ASP HA H 1 4.31 0.02 . 1 . . . . 64 ASP HA . 15327 1 711 . 1 1 64 64 ASP HB2 H 1 2.65 0.02 . 2 . . . . 64 ASP HB2 . 15327 1 712 . 1 1 64 64 ASP HB3 H 1 2.87 0.02 . 2 . . . . 64 ASP HB3 . 15327 1 713 . 1 1 64 64 ASP C C 13 177.6 0.2 . 1 . . . . 64 ASP C . 15327 1 714 . 1 1 64 64 ASP CA C 13 57.3 0.2 . 1 . . . . 64 ASP CA . 15327 1 715 . 1 1 64 64 ASP CB C 13 40.2 0.2 . 1 . . . . 64 ASP CB . 15327 1 716 . 1 1 64 64 ASP N N 15 122.6 0.2 . 1 . . . . 64 ASP N . 15327 1 717 . 1 1 65 65 ASN H H 1 7.73 0.02 . 1 . . . . 65 ASN H . 15327 1 718 . 1 1 65 65 ASN HA H 1 4.74 0.02 . 1 . . . . 65 ASN HA . 15327 1 719 . 1 1 65 65 ASN HB2 H 1 2.69 0.02 . 2 . . . . 65 ASN HB2 . 15327 1 720 . 1 1 65 65 ASN HB3 H 1 2.91 0.02 . 2 . . . . 65 ASN HB3 . 15327 1 721 . 1 1 65 65 ASN HD21 H 1 6.97 0.02 . 2 . . . . 65 ASN HD21 . 15327 1 722 . 1 1 65 65 ASN HD22 H 1 7.50 0.02 . 2 . . . . 65 ASN HD22 . 15327 1 723 . 1 1 65 65 ASN C C 13 173.8 0.2 . 1 . . . . 65 ASN C . 15327 1 724 . 1 1 65 65 ASN CA C 13 53.6 0.2 . 1 . . . . 65 ASN CA . 15327 1 725 . 1 1 65 65 ASN CB C 13 39.5 0.2 . 1 . . . . 65 ASN CB . 15327 1 726 . 1 1 65 65 ASN N N 15 115.0 0.2 . 1 . . . . 65 ASN N . 15327 1 727 . 1 1 65 65 ASN ND2 N 15 115.9 0.2 . 1 . . . . 65 ASN ND2 . 15327 1 728 . 1 1 66 66 LYS H H 1 8.04 0.02 . 1 . . . . 66 LYS H . 15327 1 729 . 1 1 66 66 LYS HA H 1 3.73 0.02 . 1 . . . . 66 LYS HA . 15327 1 730 . 1 1 66 66 LYS HB2 H 1 1.83 0.02 . 2 . . . . 66 LYS HB2 . 15327 1 731 . 1 1 66 66 LYS HB3 H 1 1.90 0.02 . 2 . . . . 66 LYS HB3 . 15327 1 732 . 1 1 66 66 LYS HD2 H 1 1.57 0.02 . 2 . . . . 66 LYS HD2 . 15327 1 733 . 1 1 66 66 LYS HD3 H 1 1.65 0.02 . 2 . . . . 66 LYS HD3 . 15327 1 734 . 1 1 66 66 LYS HE2 H 1 2.93 0.02 . 2 . . . . 66 LYS HE2 . 15327 1 735 . 1 1 66 66 LYS HE3 H 1 2.95 0.02 . 2 . . . . 66 LYS HE3 . 15327 1 736 . 1 1 66 66 LYS HG2 H 1 1.27 0.02 . 2 . . . . 66 LYS HG2 . 15327 1 737 . 1 1 66 66 LYS HG3 H 1 1.33 0.02 . 2 . . . . 66 LYS HG3 . 15327 1 738 . 1 1 66 66 LYS C C 13 175.8 0.2 . 1 . . . . 66 LYS C . 15327 1 739 . 1 1 66 66 LYS CA C 13 57.4 0.2 . 1 . . . . 66 LYS CA . 15327 1 740 . 1 1 66 66 LYS CB C 13 29.2 0.2 . 1 . . . . 66 LYS CB . 15327 1 741 . 1 1 66 66 LYS CD C 13 29.2 0.2 . 1 . . . . 66 LYS CD . 15327 1 742 . 1 1 66 66 LYS CE C 13 42.3 0.2 . 1 . . . . 66 LYS CE . 15327 1 743 . 1 1 66 66 LYS CG C 13 25.1 0.2 . 1 . . . . 66 LYS CG . 15327 1 744 . 1 1 66 66 LYS N N 15 118.0 0.2 . 1 . . . . 66 LYS N . 15327 1 745 . 1 1 67 67 GLN H H 1 8.04 0.02 . 1 . . . . 67 GLN H . 15327 1 746 . 1 1 67 67 GLN HA H 1 4.48 0.02 . 1 . . . . 67 GLN HA . 15327 1 747 . 1 1 67 67 GLN HB2 H 1 1.84 0.02 . 2 . . . . 67 GLN HB2 . 15327 1 748 . 1 1 67 67 GLN HB3 H 1 2.13 0.02 . 2 . . . . 67 GLN HB3 . 15327 1 749 . 1 1 67 67 GLN HE21 H 1 6.91 0.02 . 2 . . . . 67 GLN HE21 . 15327 1 750 . 1 1 67 67 GLN HE22 H 1 7.35 0.02 . 2 . . . . 67 GLN HE22 . 15327 1 751 . 1 1 67 67 GLN HG2 H 1 2.28 0.02 . 2 . . . . 67 GLN HG2 . 15327 1 752 . 1 1 67 67 GLN HG3 H 1 2.35 0.02 . 2 . . . . 67 GLN HG3 . 15327 1 753 . 1 1 67 67 GLN CA C 13 53.9 0.2 . 1 . . . . 67 GLN CA . 15327 1 754 . 1 1 67 67 GLN CB C 13 29.2 0.2 . 1 . . . . 67 GLN CB . 15327 1 755 . 1 1 67 67 GLN CG C 13 34.3 0.2 . 1 . . . . 67 GLN CG . 15327 1 756 . 1 1 67 67 GLN N N 15 118.4 0.2 . 1 . . . . 67 GLN N . 15327 1 757 . 1 1 67 67 GLN NE2 N 15 113.0 0.2 . 1 . . . . 67 GLN NE2 . 15327 1 758 . 1 1 68 68 PRO HA H 1 4.40 0.02 . 1 . . . . 68 PRO HA . 15327 1 759 . 1 1 68 68 PRO HB2 H 1 1.75 0.02 . 2 . . . . 68 PRO HB2 . 15327 1 760 . 1 1 68 68 PRO HB3 H 1 2.26 0.02 . 2 . . . . 68 PRO HB3 . 15327 1 761 . 1 1 68 68 PRO HD2 H 1 3.53 0.02 . 2 . . . . 68 PRO HD2 . 15327 1 762 . 1 1 68 68 PRO HD3 H 1 3.73 0.02 . 2 . . . . 68 PRO HD3 . 15327 1 763 . 1 1 68 68 PRO HG2 H 1 1.94 0.02 . 2 . . . . 68 PRO HG2 . 15327 1 764 . 1 1 68 68 PRO HG3 H 1 2.03 0.02 . 2 . . . . 68 PRO HG3 . 15327 1 765 . 1 1 68 68 PRO C C 13 176.3 0.2 . 1 . . . . 68 PRO C . 15327 1 766 . 1 1 68 68 PRO CA C 13 62.7 0.2 . 1 . . . . 68 PRO CA . 15327 1 767 . 1 1 68 68 PRO CB C 13 32.0 0.2 . 1 . . . . 68 PRO CB . 15327 1 768 . 1 1 68 68 PRO CD C 13 50.0 0.2 . 1 . . . . 68 PRO CD . 15327 1 769 . 1 1 68 68 PRO CG C 13 27.6 0.2 . 1 . . . . 68 PRO CG . 15327 1 770 . 1 1 69 69 LEU H H 1 8.42 0.02 . 1 . . . . 69 LEU H . 15327 1 771 . 1 1 69 69 LEU HA H 1 4.31 0.02 . 1 . . . . 69 LEU HA . 15327 1 772 . 1 1 69 69 LEU HB2 H 1 1.34 0.02 . 2 . . . . 69 LEU HB2 . 15327 1 773 . 1 1 69 69 LEU HB3 H 1 1.69 0.02 . 2 . . . . 69 LEU HB3 . 15327 1 774 . 1 1 69 69 LEU HD11 H 1 0.59 0.02 . 1 . . . . 69 LEU HD1 . 15327 1 775 . 1 1 69 69 LEU HD12 H 1 0.59 0.02 . 1 . . . . 69 LEU HD1 . 15327 1 776 . 1 1 69 69 LEU HD13 H 1 0.59 0.02 . 1 . . . . 69 LEU HD1 . 15327 1 777 . 1 1 69 69 LEU HD21 H 1 0.62 0.02 . 1 . . . . 69 LEU HD2 . 15327 1 778 . 1 1 69 69 LEU HD22 H 1 0.62 0.02 . 1 . . . . 69 LEU HD2 . 15327 1 779 . 1 1 69 69 LEU HD23 H 1 0.62 0.02 . 1 . . . . 69 LEU HD2 . 15327 1 780 . 1 1 69 69 LEU HG H 1 1.55 0.02 . 1 . . . . 69 LEU HG . 15327 1 781 . 1 1 69 69 LEU CA C 13 52.9 0.2 . 1 . . . . 69 LEU CA . 15327 1 782 . 1 1 69 69 LEU CB C 13 40.1 0.2 . 1 . . . . 69 LEU CB . 15327 1 783 . 1 1 69 69 LEU CD1 C 13 25.7 0.2 . 1 . . . . 69 LEU CD1 . 15327 1 784 . 1 1 69 69 LEU CD2 C 13 22.8 0.2 . 1 . . . . 69 LEU CD2 . 15327 1 785 . 1 1 69 69 LEU CG C 13 27.1 0.2 . 1 . . . . 69 LEU CG . 15327 1 786 . 1 1 69 69 LEU N N 15 121.7 0.2 . 1 . . . . 69 LEU N . 15327 1 787 . 1 1 70 70 PRO HA H 1 4.30 0.02 . 1 . . . . 70 PRO HA . 15327 1 788 . 1 1 70 70 PRO HB2 H 1 1.72 0.02 . 2 . . . . 70 PRO HB2 . 15327 1 789 . 1 1 70 70 PRO HB3 H 1 2.06 0.02 . 2 . . . . 70 PRO HB3 . 15327 1 790 . 1 1 70 70 PRO HD2 H 1 3.26 0.02 . 2 . . . . 70 PRO HD2 . 15327 1 791 . 1 1 70 70 PRO HD3 H 1 3.49 0.02 . 2 . . . . 70 PRO HD3 . 15327 1 792 . 1 1 70 70 PRO HG2 H 1 1.54 0.02 . 2 . . . . 70 PRO HG2 . 15327 1 793 . 1 1 70 70 PRO HG3 H 1 1.59 0.02 . 2 . . . . 70 PRO HG3 . 15327 1 794 . 1 1 70 70 PRO C C 13 176.2 0.2 . 1 . . . . 70 PRO C . 15327 1 795 . 1 1 70 70 PRO CA C 13 62.7 0.2 . 1 . . . . 70 PRO CA . 15327 1 796 . 1 1 70 70 PRO CB C 13 31.8 0.2 . 1 . . . . 70 PRO CB . 15327 1 797 . 1 1 70 70 PRO CD C 13 49.8 0.2 . 1 . . . . 70 PRO CD . 15327 1 798 . 1 1 70 70 PRO CG C 13 27.1 0.2 . 1 . . . . 70 PRO CG . 15327 1 799 . 1 1 71 71 GLY H H 1 8.19 0.02 . 1 . . . . 71 GLY H . 15327 1 800 . 1 1 71 71 GLY HA2 H 1 3.68 0.02 . 2 . . . . 71 GLY HA2 . 15327 1 801 . 1 1 71 71 GLY HA3 H 1 4.12 0.02 . 2 . . . . 71 GLY HA3 . 15327 1 802 . 1 1 71 71 GLY C C 13 173.7 0.2 . 1 . . . . 71 GLY C . 15327 1 803 . 1 1 71 71 GLY CA C 13 45.3 0.2 . 1 . . . . 71 GLY CA . 15327 1 804 . 1 1 71 71 GLY N N 15 108.6 0.2 . 1 . . . . 71 GLY N . 15327 1 805 . 1 1 72 72 ALA H H 1 8.22 0.02 . 1 . . . . 72 ALA H . 15327 1 806 . 1 1 72 72 ALA HA H 1 4.23 0.02 . 1 . . . . 72 ALA HA . 15327 1 807 . 1 1 72 72 ALA HB1 H 1 1.28 0.02 . 1 . . . . 72 ALA HB . 15327 1 808 . 1 1 72 72 ALA HB2 H 1 1.28 0.02 . 1 . . . . 72 ALA HB . 15327 1 809 . 1 1 72 72 ALA HB3 H 1 1.28 0.02 . 1 . . . . 72 ALA HB . 15327 1 810 . 1 1 72 72 ALA C C 13 176.0 0.2 . 1 . . . . 72 ALA C . 15327 1 811 . 1 1 72 72 ALA CA C 13 52.3 0.2 . 1 . . . . 72 ALA CA . 15327 1 812 . 1 1 72 72 ALA CB C 13 18.4 0.2 . 1 . . . . 72 ALA CB . 15327 1 813 . 1 1 72 72 ALA N N 15 122.7 0.2 . 1 . . . . 72 ALA N . 15327 1 814 . 1 1 73 73 PHE H H 1 7.85 0.02 . 1 . . . . 73 PHE H . 15327 1 815 . 1 1 73 73 PHE HA H 1 4.37 0.02 . 1 . . . . 73 PHE HA . 15327 1 816 . 1 1 73 73 PHE HB2 H 1 2.48 0.02 . 2 . . . . 73 PHE HB2 . 15327 1 817 . 1 1 73 73 PHE HB3 H 1 2.58 0.02 . 2 . . . . 73 PHE HB3 . 15327 1 818 . 1 1 73 73 PHE HD1 H 1 6.84 0.02 . 3 . . . . 73 PHE HD1 . 15327 1 819 . 1 1 73 73 PHE HE1 H 1 7.06 0.02 . 3 . . . . 73 PHE HE1 . 15327 1 820 . 1 1 73 73 PHE HZ H 1 7.00 0.02 . 1 . . . . 73 PHE HZ . 15327 1 821 . 1 1 73 73 PHE C C 13 173.3 0.2 . 1 . . . . 73 PHE C . 15327 1 822 . 1 1 73 73 PHE CA C 13 57.8 0.2 . 1 . . . . 73 PHE CA . 15327 1 823 . 1 1 73 73 PHE CB C 13 41.0 0.2 . 1 . . . . 73 PHE CB . 15327 1 824 . 1 1 73 73 PHE CD1 C 13 131.7 0.2 . 3 . . . . 73 PHE CD1 . 15327 1 825 . 1 1 73 73 PHE CE1 C 13 130.6 0.2 . 3 . . . . 73 PHE CE1 . 15327 1 826 . 1 1 73 73 PHE CZ C 13 128.9 0.2 . 1 . . . . 73 PHE CZ . 15327 1 827 . 1 1 73 73 PHE N N 15 122.0 0.2 . 1 . . . . 73 PHE N . 15327 1 828 . 1 1 74 74 ALA H H 1 7.66 0.02 . 1 . . . . 74 ALA H . 15327 1 829 . 1 1 74 74 ALA HA H 1 4.52 0.02 . 1 . . . . 74 ALA HA . 15327 1 830 . 1 1 74 74 ALA HB1 H 1 1.20 0.02 . 1 . . . . 74 ALA HB . 15327 1 831 . 1 1 74 74 ALA HB2 H 1 1.20 0.02 . 1 . . . . 74 ALA HB . 15327 1 832 . 1 1 74 74 ALA HB3 H 1 1.20 0.02 . 1 . . . . 74 ALA HB . 15327 1 833 . 1 1 74 74 ALA C C 13 176.8 0.2 . 1 . . . . 74 ALA C . 15327 1 834 . 1 1 74 74 ALA CA C 13 51.8 0.2 . 1 . . . . 74 ALA CA . 15327 1 835 . 1 1 74 74 ALA CB C 13 20.8 0.2 . 1 . . . . 74 ALA CB . 15327 1 836 . 1 1 74 74 ALA N N 15 128.4 0.2 . 1 . . . . 74 ALA N . 15327 1 837 . 1 1 75 75 VAL H H 1 11.39 0.02 . 1 . . . . 75 VAL H . 15327 1 838 . 1 1 75 75 VAL HA H 1 4.66 0.02 . 1 . . . . 75 VAL HA . 15327 1 839 . 1 1 75 75 VAL HB H 1 2.50 0.02 . 1 . . . . 75 VAL HB . 15327 1 840 . 1 1 75 75 VAL HG11 H 1 1.08 0.02 . 1 . . . . 75 VAL HG1 . 15327 1 841 . 1 1 75 75 VAL HG12 H 1 1.08 0.02 . 1 . . . . 75 VAL HG1 . 15327 1 842 . 1 1 75 75 VAL HG13 H 1 1.08 0.02 . 1 . . . . 75 VAL HG1 . 15327 1 843 . 1 1 75 75 VAL HG21 H 1 1.06 0.02 . 1 . . . . 75 VAL HG2 . 15327 1 844 . 1 1 75 75 VAL HG22 H 1 1.06 0.02 . 1 . . . . 75 VAL HG2 . 15327 1 845 . 1 1 75 75 VAL HG23 H 1 1.06 0.02 . 1 . . . . 75 VAL HG2 . 15327 1 846 . 1 1 75 75 VAL C C 13 176.5 0.2 . 1 . . . . 75 VAL C . 15327 1 847 . 1 1 75 75 VAL CA C 13 62.0 0.2 . 1 . . . . 75 VAL CA . 15327 1 848 . 1 1 75 75 VAL CB C 13 34.0 0.2 . 1 . . . . 75 VAL CB . 15327 1 849 . 1 1 75 75 VAL CG1 C 13 23.3 0.2 . 1 . . . . 75 VAL CG1 . 15327 1 850 . 1 1 75 75 VAL CG2 C 13 21.1 0.2 . 1 . . . . 75 VAL CG2 . 15327 1 851 . 1 1 75 75 VAL N N 15 121.4 0.2 . 1 . . . . 75 VAL N . 15327 1 852 . 1 1 76 76 ALA H H 1 10.95 0.02 . 1 . . . . 76 ALA H . 15327 1 853 . 1 1 76 76 ALA HA H 1 4.09 0.02 . 1 . . . . 76 ALA HA . 15327 1 854 . 1 1 76 76 ALA HB1 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 15327 1 855 . 1 1 76 76 ALA HB2 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 15327 1 856 . 1 1 76 76 ALA HB3 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 15327 1 857 . 1 1 76 76 ALA CA C 13 57.5 0.2 . 1 . . . . 76 ALA CA . 15327 1 858 . 1 1 76 76 ALA CB C 13 16.3 0.2 . 1 . . . . 76 ALA CB . 15327 1 859 . 1 1 76 76 ALA N N 15 129.2 0.2 . 1 . . . . 76 ALA N . 15327 1 860 . 1 1 77 77 PRO HA H 1 4.17 0.02 . 1 . . . . 77 PRO HA . 15327 1 861 . 1 1 77 77 PRO HB2 H 1 1.69 0.02 . 2 . . . . 77 PRO HB2 . 15327 1 862 . 1 1 77 77 PRO HB3 H 1 2.22 0.02 . 2 . . . . 77 PRO HB3 . 15327 1 863 . 1 1 77 77 PRO HD2 H 1 3.25 0.02 . 2 . . . . 77 PRO HD2 . 15327 1 864 . 1 1 77 77 PRO HD3 H 1 3.73 0.02 . 2 . . . . 77 PRO HD3 . 15327 1 865 . 1 1 77 77 PRO HG2 H 1 1.82 0.02 . 2 . . . . 77 PRO HG2 . 15327 1 866 . 1 1 77 77 PRO HG3 H 1 1.92 0.02 . 2 . . . . 77 PRO HG3 . 15327 1 867 . 1 1 77 77 PRO C C 13 179.6 0.2 . 1 . . . . 77 PRO C . 15327 1 868 . 1 1 77 77 PRO CA C 13 66.0 0.2 . 1 . . . . 77 PRO CA . 15327 1 869 . 1 1 77 77 PRO CB C 13 30.8 0.2 . 1 . . . . 77 PRO CB . 15327 1 870 . 1 1 77 77 PRO CD C 13 50.8 0.2 . 1 . . . . 77 PRO CD . 15327 1 871 . 1 1 77 77 PRO CG C 13 28.2 0.2 . 1 . . . . 77 PRO CG . 15327 1 872 . 1 1 78 78 TYR H H 1 7.26 0.02 . 1 . . . . 78 TYR H . 15327 1 873 . 1 1 78 78 TYR HA H 1 3.94 0.02 . 1 . . . . 78 TYR HA . 15327 1 874 . 1 1 78 78 TYR HB2 H 1 2.01 0.02 . 2 . . . . 78 TYR HB2 . 15327 1 875 . 1 1 78 78 TYR HB3 H 1 2.45 0.02 . 2 . . . . 78 TYR HB3 . 15327 1 876 . 1 1 78 78 TYR HD1 H 1 5.86 0.02 . 3 . . . . 78 TYR HD1 . 15327 1 877 . 1 1 78 78 TYR HE1 H 1 5.91 0.02 . 3 . . . . 78 TYR HE1 . 15327 1 878 . 1 1 78 78 TYR C C 13 177.2 0.2 . 1 . . . . 78 TYR C . 15327 1 879 . 1 1 78 78 TYR CA C 13 60.5 0.2 . 1 . . . . 78 TYR CA . 15327 1 880 . 1 1 78 78 TYR CB C 13 37.8 0.2 . 1 . . . . 78 TYR CB . 15327 1 881 . 1 1 78 78 TYR CD1 C 13 132.7 0.2 . 3 . . . . 78 TYR CD1 . 15327 1 882 . 1 1 78 78 TYR CE1 C 13 116.9 0.2 . 3 . . . . 78 TYR CE1 . 15327 1 883 . 1 1 78 78 TYR N N 15 116.7 0.2 . 1 . . . . 78 TYR N . 15327 1 884 . 1 1 79 79 TYR H H 1 7.42 0.02 . 1 . . . . 79 TYR H . 15327 1 885 . 1 1 79 79 TYR HA H 1 3.10 0.02 . 1 . . . . 79 TYR HA . 15327 1 886 . 1 1 79 79 TYR HB2 H 1 2.43 0.02 . 2 . . . . 79 TYR HB2 . 15327 1 887 . 1 1 79 79 TYR HB3 H 1 2.69 0.02 . 2 . . . . 79 TYR HB3 . 15327 1 888 . 1 1 79 79 TYR HD1 H 1 7.07 0.02 . 3 . . . . 79 TYR HD1 . 15327 1 889 . 1 1 79 79 TYR HE1 H 1 6.48 0.02 . 3 . . . . 79 TYR HE1 . 15327 1 890 . 1 1 79 79 TYR C C 13 176.7 0.2 . 1 . . . . 79 TYR C . 15327 1 891 . 1 1 79 79 TYR CA C 13 63.5 0.2 . 1 . . . . 79 TYR CA . 15327 1 892 . 1 1 79 79 TYR CB C 13 38.6 0.2 . 1 . . . . 79 TYR CB . 15327 1 893 . 1 1 79 79 TYR CD1 C 13 132.2 0.2 . 3 . . . . 79 TYR CD1 . 15327 1 894 . 1 1 79 79 TYR CE1 C 13 117.6 0.2 . 3 . . . . 79 TYR CE1 . 15327 1 895 . 1 1 79 79 TYR N N 15 118.6 0.2 . 1 . . . . 79 TYR N . 15327 1 896 . 1 1 80 80 GLU H H 1 8.58 0.02 . 1 . . . . 80 GLU H . 15327 1 897 . 1 1 80 80 GLU HA H 1 3.78 0.02 . 1 . . . . 80 GLU HA . 15327 1 898 . 1 1 80 80 GLU HB2 H 1 1.89 0.02 . 2 . . . . 80 GLU HB2 . 15327 1 899 . 1 1 80 80 GLU HB3 H 1 2.00 0.02 . 2 . . . . 80 GLU HB3 . 15327 1 900 . 1 1 80 80 GLU HG2 H 1 2.13 0.02 . 2 . . . . 80 GLU HG2 . 15327 1 901 . 1 1 80 80 GLU HG3 H 1 2.18 0.02 . 2 . . . . 80 GLU HG3 . 15327 1 902 . 1 1 80 80 GLU C C 13 177.7 0.2 . 1 . . . . 80 GLU C . 15327 1 903 . 1 1 80 80 GLU CA C 13 58.8 0.2 . 1 . . . . 80 GLU CA . 15327 1 904 . 1 1 80 80 GLU CB C 13 29.4 0.2 . 1 . . . . 80 GLU CB . 15327 1 905 . 1 1 80 80 GLU CG C 13 36.0 0.2 . 1 . . . . 80 GLU CG . 15327 1 906 . 1 1 80 80 GLU N N 15 119.8 0.2 . 1 . . . . 80 GLU N . 15327 1 907 . 1 1 81 81 MET H H 1 6.79 0.02 . 1 . . . . 81 MET H . 15327 1 908 . 1 1 81 81 MET HA H 1 4.20 0.02 . 1 . . . . 81 MET HA . 15327 1 909 . 1 1 81 81 MET HB2 H 1 1.84 0.02 . 2 . . . . 81 MET HB2 . 15327 1 910 . 1 1 81 81 MET HB3 H 1 1.91 0.02 . 2 . . . . 81 MET HB3 . 15327 1 911 . 1 1 81 81 MET HE1 H 1 1.94 0.02 . 1 . . . . 81 MET HE . 15327 1 912 . 1 1 81 81 MET HE2 H 1 1.94 0.02 . 1 . . . . 81 MET HE . 15327 1 913 . 1 1 81 81 MET HE3 H 1 1.94 0.02 . 1 . . . . 81 MET HE . 15327 1 914 . 1 1 81 81 MET HG2 H 1 2.34 0.02 . 2 . . . . 81 MET HG2 . 15327 1 915 . 1 1 81 81 MET HG3 H 1 2.51 0.02 . 2 . . . . 81 MET HG3 . 15327 1 916 . 1 1 81 81 MET C C 13 177.4 0.2 . 1 . . . . 81 MET C . 15327 1 917 . 1 1 81 81 MET CA C 13 56.5 0.2 . 1 . . . . 81 MET CA . 15327 1 918 . 1 1 81 81 MET CB C 13 32.8 0.2 . 1 . . . . 81 MET CB . 15327 1 919 . 1 1 81 81 MET CE C 13 16.7 0.2 . 1 . . . . 81 MET CE . 15327 1 920 . 1 1 81 81 MET CG C 13 31.4 0.2 . 1 . . . . 81 MET CG . 15327 1 921 . 1 1 81 81 MET N N 15 114.8 0.2 . 1 . . . . 81 MET N . 15327 1 922 . 1 1 82 82 ALA H H 1 8.18 0.02 . 1 . . . . 82 ALA H . 15327 1 923 . 1 1 82 82 ALA HA H 1 3.86 0.02 . 1 . . . . 82 ALA HA . 15327 1 924 . 1 1 82 82 ALA HB1 H 1 0.35 0.02 . 1 . . . . 82 ALA HB . 15327 1 925 . 1 1 82 82 ALA HB2 H 1 0.35 0.02 . 1 . . . . 82 ALA HB . 15327 1 926 . 1 1 82 82 ALA HB3 H 1 0.35 0.02 . 1 . . . . 82 ALA HB . 15327 1 927 . 1 1 82 82 ALA CA C 13 53.7 0.2 . 1 . . . . 82 ALA CA . 15327 1 928 . 1 1 82 82 ALA CB C 13 19.6 0.2 . 1 . . . . 82 ALA CB . 15327 1 929 . 1 1 82 82 ALA N N 15 120.5 0.2 . 1 . . . . 82 ALA N . 15327 1 930 . 1 1 83 83 LEU H H 1 7.80 0.02 . 1 . . . . 83 LEU H . 15327 1 931 . 1 1 83 83 LEU HA H 1 4.29 0.02 . 1 . . . . 83 LEU HA . 15327 1 932 . 1 1 83 83 LEU HB2 H 1 1.70 0.02 . 2 . . . . 83 LEU HB2 . 15327 1 933 . 1 1 83 83 LEU HB3 H 1 1.74 0.02 . 2 . . . . 83 LEU HB3 . 15327 1 934 . 1 1 83 83 LEU HD11 H 1 0.60 0.02 . 2 . . . . 83 LEU HD1 . 15327 1 935 . 1 1 83 83 LEU HD12 H 1 0.60 0.02 . 2 . . . . 83 LEU HD1 . 15327 1 936 . 1 1 83 83 LEU HD13 H 1 0.60 0.02 . 2 . . . . 83 LEU HD1 . 15327 1 937 . 1 1 83 83 LEU CA C 13 53.9 0.2 . 1 . . . . 83 LEU CA . 15327 1 938 . 1 1 83 83 LEU CB C 13 41.8 0.2 . 1 . . . . 83 LEU CB . 15327 1 939 . 1 1 83 83 LEU CD1 C 13 25.4 0.2 . 2 . . . . 83 LEU CD1 . 15327 1 940 . 1 1 83 83 LEU N N 15 116.3 0.2 . 1 . . . . 83 LEU N . 15327 1 941 . 1 1 84 84 ALA H H 1 9.14 0.02 . 1 . . . . 84 ALA H . 15327 1 942 . 1 1 84 84 ALA HA H 1 4.25 0.02 . 1 . . . . 84 ALA HA . 15327 1 943 . 1 1 84 84 ALA HB1 H 1 1.55 0.02 . 1 . . . . 84 ALA HB . 15327 1 944 . 1 1 84 84 ALA HB2 H 1 1.55 0.02 . 1 . . . . 84 ALA HB . 15327 1 945 . 1 1 84 84 ALA HB3 H 1 1.55 0.02 . 1 . . . . 84 ALA HB . 15327 1 946 . 1 1 84 84 ALA C C 13 180.0 0.2 . 1 . . . . 84 ALA C . 15327 1 947 . 1 1 84 84 ALA CA C 13 52.7 0.2 . 1 . . . . 84 ALA CA . 15327 1 948 . 1 1 84 84 ALA CB C 13 19.3 0.2 . 1 . . . . 84 ALA CB . 15327 1 949 . 1 1 84 84 ALA N N 15 128.8 0.2 . 1 . . . . 84 ALA N . 15327 1 950 . 1 1 85 85 THR H H 1 8.86 0.02 . 1 . . . . 85 THR H . 15327 1 951 . 1 1 85 85 THR HA H 1 3.66 0.02 . 1 . . . . 85 THR HA . 15327 1 952 . 1 1 85 85 THR HB H 1 4.13 0.02 . 1 . . . . 85 THR HB . 15327 1 953 . 1 1 85 85 THR HG21 H 1 1.22 0.02 . 1 . . . . 85 THR HG2 . 15327 1 954 . 1 1 85 85 THR HG22 H 1 1.22 0.02 . 1 . . . . 85 THR HG2 . 15327 1 955 . 1 1 85 85 THR HG23 H 1 1.22 0.02 . 1 . . . . 85 THR HG2 . 15327 1 956 . 1 1 85 85 THR C C 13 174.4 0.2 . 1 . . . . 85 THR C . 15327 1 957 . 1 1 85 85 THR CA C 13 65.5 0.2 . 1 . . . . 85 THR CA . 15327 1 958 . 1 1 85 85 THR CB C 13 68.5 0.2 . 1 . . . . 85 THR CB . 15327 1 959 . 1 1 85 85 THR CG2 C 13 22.0 0.2 . 1 . . . . 85 THR CG2 . 15327 1 960 . 1 1 85 85 THR N N 15 116.3 0.2 . 1 . . . . 85 THR N . 15327 1 961 . 1 1 86 86 ASP H H 1 8.13 0.02 . 1 . . . . 86 ASP H . 15327 1 962 . 1 1 86 86 ASP HA H 1 4.60 0.02 . 1 . . . . 86 ASP HA . 15327 1 963 . 1 1 86 86 ASP HB2 H 1 2.52 0.02 . 2 . . . . 86 ASP HB2 . 15327 1 964 . 1 1 86 86 ASP HB3 H 1 2.86 0.02 . 2 . . . . 86 ASP HB3 . 15327 1 965 . 1 1 86 86 ASP CA C 13 52.2 0.2 . 1 . . . . 86 ASP CA . 15327 1 966 . 1 1 86 86 ASP CB C 13 39.8 0.2 . 1 . . . . 86 ASP CB . 15327 1 967 . 1 1 86 86 ASP N N 15 116.7 0.2 . 1 . . . . 86 ASP N . 15327 1 968 . 1 1 90 90 ARG HA H 1 3.37 0.02 . 1 . . . . 90 ARG HA . 15327 1 969 . 1 1 90 90 ARG HB2 H 1 1.74 0.02 . 2 . . . . 90 ARG HB2 . 15327 1 970 . 1 1 90 90 ARG HB3 H 1 2.20 0.02 . 2 . . . . 90 ARG HB3 . 15327 1 971 . 1 1 90 90 ARG HD2 H 1 3.19 0.02 . 2 . . . . 90 ARG HD2 . 15327 1 972 . 1 1 90 90 ARG HD3 H 1 3.34 0.02 . 2 . . . . 90 ARG HD3 . 15327 1 973 . 1 1 90 90 ARG HG2 H 1 1.09 0.02 . 2 . . . . 90 ARG HG2 . 15327 1 974 . 1 1 90 90 ARG HG3 H 1 1.23 0.02 . 2 . . . . 90 ARG HG3 . 15327 1 975 . 1 1 90 90 ARG CA C 13 61.1 0.2 . 1 . . . . 90 ARG CA . 15327 1 976 . 1 1 90 90 ARG CB C 13 31.2 0.2 . 1 . . . . 90 ARG CB . 15327 1 977 . 1 1 90 90 ARG CD C 13 43.3 0.2 . 1 . . . . 90 ARG CD . 15327 1 978 . 1 1 90 90 ARG CG C 13 28.2 0.2 . 1 . . . . 90 ARG CG . 15327 1 979 . 1 1 91 91 ALA H H 1 8.48 0.02 . 1 . . . . 91 ALA H . 15327 1 980 . 1 1 91 91 ALA HA H 1 4.00 0.02 . 1 . . . . 91 ALA HA . 15327 1 981 . 1 1 91 91 ALA HB1 H 1 1.37 0.02 . 1 . . . . 91 ALA HB . 15327 1 982 . 1 1 91 91 ALA HB2 H 1 1.37 0.02 . 1 . . . . 91 ALA HB . 15327 1 983 . 1 1 91 91 ALA HB3 H 1 1.37 0.02 . 1 . . . . 91 ALA HB . 15327 1 984 . 1 1 91 91 ALA C C 13 180.9 0.2 . 1 . . . . 91 ALA C . 15327 1 985 . 1 1 91 91 ALA CA C 13 55.1 0.2 . 1 . . . . 91 ALA CA . 15327 1 986 . 1 1 91 91 ALA CB C 13 17.9 0.2 . 1 . . . . 91 ALA CB . 15327 1 987 . 1 1 91 91 ALA N N 15 117.1 0.2 . 1 . . . . 91 ALA N . 15327 1 988 . 1 1 92 92 LEU H H 1 7.28 0.02 . 1 . . . . 92 LEU H . 15327 1 989 . 1 1 92 92 LEU HA H 1 4.04 0.02 . 1 . . . . 92 LEU HA . 15327 1 990 . 1 1 92 92 LEU HB2 H 1 1.55 0.02 . 2 . . . . 92 LEU HB2 . 15327 1 991 . 1 1 92 92 LEU HB3 H 1 1.69 0.02 . 2 . . . . 92 LEU HB3 . 15327 1 992 . 1 1 92 92 LEU HD11 H 1 0.84 0.02 . 2 . . . . 92 LEU HD1 . 15327 1 993 . 1 1 92 92 LEU HD12 H 1 0.84 0.02 . 2 . . . . 92 LEU HD1 . 15327 1 994 . 1 1 92 92 LEU HD13 H 1 0.84 0.02 . 2 . . . . 92 LEU HD1 . 15327 1 995 . 1 1 92 92 LEU HD21 H 1 0.83 0.02 . 2 . . . . 92 LEU HD2 . 15327 1 996 . 1 1 92 92 LEU HD22 H 1 0.83 0.02 . 2 . . . . 92 LEU HD2 . 15327 1 997 . 1 1 92 92 LEU HD23 H 1 0.83 0.02 . 2 . . . . 92 LEU HD2 . 15327 1 998 . 1 1 92 92 LEU HG H 1 1.29 0.02 . 1 . . . . 92 LEU HG . 15327 1 999 . 1 1 92 92 LEU CA C 13 57.4 0.2 . 1 . . . . 92 LEU CA . 15327 1 1000 . 1 1 92 92 LEU CB C 13 42.5 0.2 . 1 . . . . 92 LEU CB . 15327 1 1001 . 1 1 92 92 LEU CD1 C 13 22.8 0.2 . 2 . . . . 92 LEU CD1 . 15327 1 1002 . 1 1 92 92 LEU CD2 C 13 25.4 0.2 . 2 . . . . 92 LEU CD2 . 15327 1 1003 . 1 1 92 92 LEU CG C 13 26.7 0.2 . 1 . . . . 92 LEU CG . 15327 1 1004 . 1 1 92 92 LEU N N 15 118.0 0.2 . 1 . . . . 92 LEU N . 15327 1 1005 . 1 1 93 93 ILE H H 1 8.21 0.02 . 1 . . . . 93 ILE H . 15327 1 1006 . 1 1 93 93 ILE HA H 1 3.28 0.02 . 1 . . . . 93 ILE HA . 15327 1 1007 . 1 1 93 93 ILE HB H 1 1.59 0.02 . 1 . . . . 93 ILE HB . 15327 1 1008 . 1 1 93 93 ILE HD11 H 1 0.42 0.02 . 1 . . . . 93 ILE HD1 . 15327 1 1009 . 1 1 93 93 ILE HD12 H 1 0.42 0.02 . 1 . . . . 93 ILE HD1 . 15327 1 1010 . 1 1 93 93 ILE HD13 H 1 0.42 0.02 . 1 . . . . 93 ILE HD1 . 15327 1 1011 . 1 1 93 93 ILE HG12 H 1 0.58 0.02 . 2 . . . . 93 ILE HG12 . 15327 1 1012 . 1 1 93 93 ILE HG13 H 1 1.73 0.02 . 2 . . . . 93 ILE HG13 . 15327 1 1013 . 1 1 93 93 ILE HG21 H 1 0.45 0.02 . 1 . . . . 93 ILE HG2 . 15327 1 1014 . 1 1 93 93 ILE HG22 H 1 0.45 0.02 . 1 . . . . 93 ILE HG2 . 15327 1 1015 . 1 1 93 93 ILE HG23 H 1 0.45 0.02 . 1 . . . . 93 ILE HG2 . 15327 1 1016 . 1 1 93 93 ILE C C 13 177.8 0.2 . 1 . . . . 93 ILE C . 15327 1 1017 . 1 1 93 93 ILE CA C 13 65.6 0.2 . 1 . . . . 93 ILE CA . 15327 1 1018 . 1 1 93 93 ILE CB C 13 38.4 0.2 . 1 . . . . 93 ILE CB . 15327 1 1019 . 1 1 93 93 ILE CD1 C 13 13.7 0.2 . 1 . . . . 93 ILE CD1 . 15327 1 1020 . 1 1 93 93 ILE CG1 C 13 29.6 0.2 . 1 . . . . 93 ILE CG1 . 15327 1 1021 . 1 1 93 93 ILE CG2 C 13 16.4 0.2 . 1 . . . . 93 ILE CG2 . 15327 1 1022 . 1 1 93 93 ILE N N 15 119.2 0.2 . 1 . . . . 93 ILE N . 15327 1 1023 . 1 1 94 94 LEU H H 1 8.37 0.02 . 1 . . . . 94 LEU H . 15327 1 1024 . 1 1 94 94 LEU HA H 1 3.79 0.02 . 1 . . . . 94 LEU HA . 15327 1 1025 . 1 1 94 94 LEU HB2 H 1 1.47 0.02 . 2 . . . . 94 LEU HB2 . 15327 1 1026 . 1 1 94 94 LEU HB3 H 1 1.71 0.02 . 2 . . . . 94 LEU HB3 . 15327 1 1027 . 1 1 94 94 LEU HD11 H 1 0.78 0.02 . 2 . . . . 94 LEU HD1 . 15327 1 1028 . 1 1 94 94 LEU HD12 H 1 0.78 0.02 . 2 . . . . 94 LEU HD1 . 15327 1 1029 . 1 1 94 94 LEU HD13 H 1 0.78 0.02 . 2 . . . . 94 LEU HD1 . 15327 1 1030 . 1 1 94 94 LEU HD21 H 1 0.68 0.02 . 2 . . . . 94 LEU HD2 . 15327 1 1031 . 1 1 94 94 LEU HD22 H 1 0.68 0.02 . 2 . . . . 94 LEU HD2 . 15327 1 1032 . 1 1 94 94 LEU HD23 H 1 0.68 0.02 . 2 . . . . 94 LEU HD2 . 15327 1 1033 . 1 1 94 94 LEU HG H 1 1.66 0.02 . 1 . . . . 94 LEU HG . 15327 1 1034 . 1 1 94 94 LEU C C 13 178.6 0.2 . 1 . . . . 94 LEU C . 15327 1 1035 . 1 1 94 94 LEU CA C 13 58.1 0.2 . 1 . . . . 94 LEU CA . 15327 1 1036 . 1 1 94 94 LEU CB C 13 40.4 0.2 . 1 . . . . 94 LEU CB . 15327 1 1037 . 1 1 94 94 LEU CD1 C 13 25.7 0.2 . 2 . . . . 94 LEU CD1 . 15327 1 1038 . 1 1 94 94 LEU CD2 C 13 23.2 0.2 . 2 . . . . 94 LEU CD2 . 15327 1 1039 . 1 1 94 94 LEU CG C 13 27.2 0.2 . 1 . . . . 94 LEU CG . 15327 1 1040 . 1 1 94 94 LEU N N 15 118.0 0.2 . 1 . . . . 94 LEU N . 15327 1 1041 . 1 1 95 95 ALA H H 1 7.76 0.02 . 1 . . . . 95 ALA H . 15327 1 1042 . 1 1 95 95 ALA HA H 1 4.10 0.02 . 1 . . . . 95 ALA HA . 15327 1 1043 . 1 1 95 95 ALA HB1 H 1 1.46 0.02 . 1 . . . . 95 ALA HB . 15327 1 1044 . 1 1 95 95 ALA HB2 H 1 1.46 0.02 . 1 . . . . 95 ALA HB . 15327 1 1045 . 1 1 95 95 ALA HB3 H 1 1.46 0.02 . 1 . . . . 95 ALA HB . 15327 1 1046 . 1 1 95 95 ALA C C 13 181.3 0.2 . 1 . . . . 95 ALA C . 15327 1 1047 . 1 1 95 95 ALA CA C 13 55.2 0.2 . 1 . . . . 95 ALA CA . 15327 1 1048 . 1 1 95 95 ALA CB C 13 18.2 0.2 . 1 . . . . 95 ALA CB . 15327 1 1049 . 1 1 95 95 ALA N N 15 119.2 0.2 . 1 . . . . 95 ALA N . 15327 1 1050 . 1 1 96 96 GLU H H 1 7.46 0.02 . 1 . . . . 96 GLU H . 15327 1 1051 . 1 1 96 96 GLU HA H 1 4.20 0.02 . 1 . . . . 96 GLU HA . 15327 1 1052 . 1 1 96 96 GLU HB2 H 1 1.84 0.02 . 2 . . . . 96 GLU HB2 . 15327 1 1053 . 1 1 96 96 GLU HB3 H 1 1.97 0.02 . 2 . . . . 96 GLU HB3 . 15327 1 1054 . 1 1 96 96 GLU HG2 H 1 2.09 0.02 . 2 . . . . 96 GLU HG2 . 15327 1 1055 . 1 1 96 96 GLU HG3 H 1 2.53 0.02 . 2 . . . . 96 GLU HG3 . 15327 1 1056 . 1 1 96 96 GLU CA C 13 57.6 0.2 . 1 . . . . 96 GLU CA . 15327 1 1057 . 1 1 96 96 GLU CB C 13 29.1 0.2 . 1 . . . . 96 GLU CB . 15327 1 1058 . 1 1 96 96 GLU CG C 13 35.1 0.2 . 1 . . . . 96 GLU CG . 15327 1 1059 . 1 1 96 96 GLU N N 15 115.5 0.2 . 1 . . . . 96 GLU N . 15327 1 1060 . 1 1 97 97 LEU H H 1 8.22 0.02 . 1 . . . . 97 LEU H . 15327 1 1061 . 1 1 97 97 LEU HA H 1 4.08 0.02 . 1 . . . . 97 LEU HA . 15327 1 1062 . 1 1 97 97 LEU HB2 H 1 1.10 0.02 . 2 . . . . 97 LEU HB2 . 15327 1 1063 . 1 1 97 97 LEU HB3 H 1 1.92 0.02 . 2 . . . . 97 LEU HB3 . 15327 1 1064 . 1 1 97 97 LEU HD11 H 1 0.21 0.02 . 1 . . . . 97 LEU HD1 . 15327 1 1065 . 1 1 97 97 LEU HD12 H 1 0.21 0.02 . 1 . . . . 97 LEU HD1 . 15327 1 1066 . 1 1 97 97 LEU HD13 H 1 0.21 0.02 . 1 . . . . 97 LEU HD1 . 15327 1 1067 . 1 1 97 97 LEU HD21 H 1 0.55 0.02 . 1 . . . . 97 LEU HD2 . 15327 1 1068 . 1 1 97 97 LEU HD22 H 1 0.55 0.02 . 1 . . . . 97 LEU HD2 . 15327 1 1069 . 1 1 97 97 LEU HD23 H 1 0.55 0.02 . 1 . . . . 97 LEU HD2 . 15327 1 1070 . 1 1 97 97 LEU HG H 1 1.75 0.02 . 1 . . . . 97 LEU HG . 15327 1 1071 . 1 1 97 97 LEU C C 13 178.3 0.2 . 1 . . . . 97 LEU C . 15327 1 1072 . 1 1 97 97 LEU CA C 13 57.3 0.2 . 1 . . . . 97 LEU CA . 15327 1 1073 . 1 1 97 97 LEU CB C 13 41.1 0.2 . 1 . . . . 97 LEU CB . 15327 1 1074 . 1 1 97 97 LEU CD1 C 13 27.4 0.2 . 1 . . . . 97 LEU CD1 . 15327 1 1075 . 1 1 97 97 LEU CD2 C 13 22.3 0.2 . 1 . . . . 97 LEU CD2 . 15327 1 1076 . 1 1 97 97 LEU CG C 13 25.5 0.2 . 1 . . . . 97 LEU CG . 15327 1 1077 . 1 1 97 97 LEU N N 15 120.4 0.2 . 1 . . . . 97 LEU N . 15327 1 1078 . 1 1 98 98 GLU H H 1 8.83 0.02 . 1 . . . . 98 GLU H . 15327 1 1079 . 1 1 98 98 GLU HA H 1 3.94 0.02 . 1 . . . . 98 GLU HA . 15327 1 1080 . 1 1 98 98 GLU HB2 H 1 1.98 0.02 . 2 . . . . 98 GLU HB2 . 15327 1 1081 . 1 1 98 98 GLU HB3 H 1 2.09 0.02 . 2 . . . . 98 GLU HB3 . 15327 1 1082 . 1 1 98 98 GLU HG2 H 1 2.12 0.02 . 2 . . . . 98 GLU HG2 . 15327 1 1083 . 1 1 98 98 GLU HG3 H 1 2.45 0.02 . 2 . . . . 98 GLU HG3 . 15327 1 1084 . 1 1 98 98 GLU C C 13 180.3 0.2 . 1 . . . . 98 GLU C . 15327 1 1085 . 1 1 98 98 GLU CA C 13 59.8 0.2 . 1 . . . . 98 GLU CA . 15327 1 1086 . 1 1 98 98 GLU CB C 13 29.4 0.2 . 1 . . . . 98 GLU CB . 15327 1 1087 . 1 1 98 98 GLU CG C 13 36.7 0.2 . 1 . . . . 98 GLU CG . 15327 1 1088 . 1 1 98 98 GLU N N 15 119.9 0.2 . 1 . . . . 98 GLU N . 15327 1 1089 . 1 1 99 99 LYS H H 1 7.42 0.02 . 1 . . . . 99 LYS H . 15327 1 1090 . 1 1 99 99 LYS HA H 1 3.94 0.02 . 1 . . . . 99 LYS HA . 15327 1 1091 . 1 1 99 99 LYS HB2 H 1 1.69 0.02 . 2 . . . . 99 LYS HB2 . 15327 1 1092 . 1 1 99 99 LYS HB3 H 1 1.90 0.02 . 2 . . . . 99 LYS HB3 . 15327 1 1093 . 1 1 99 99 LYS HD2 H 1 1.59 0.02 . 2 . . . . 99 LYS HD2 . 15327 1 1094 . 1 1 99 99 LYS HD3 H 1 1.69 0.02 . 2 . . . . 99 LYS HD3 . 15327 1 1095 . 1 1 99 99 LYS HE2 H 1 2.79 0.02 . 2 . . . . 99 LYS HE2 . 15327 1 1096 . 1 1 99 99 LYS HE3 H 1 2.84 0.02 . 2 . . . . 99 LYS HE3 . 15327 1 1097 . 1 1 99 99 LYS HG2 H 1 1.29 0.02 . 2 . . . . 99 LYS HG2 . 15327 1 1098 . 1 1 99 99 LYS HG3 H 1 1.64 0.02 . 2 . . . . 99 LYS HG3 . 15327 1 1099 . 1 1 99 99 LYS C C 13 179.1 0.2 . 1 . . . . 99 LYS C . 15327 1 1100 . 1 1 99 99 LYS CA C 13 59.7 0.2 . 1 . . . . 99 LYS CA . 15327 1 1101 . 1 1 99 99 LYS CB C 13 32.8 0.2 . 1 . . . . 99 LYS CB . 15327 1 1102 . 1 1 99 99 LYS CD C 13 29.6 0.2 . 1 . . . . 99 LYS CD . 15327 1 1103 . 1 1 99 99 LYS CE C 13 42.1 0.2 . 1 . . . . 99 LYS CE . 15327 1 1104 . 1 1 99 99 LYS CG C 13 25.7 0.2 . 1 . . . . 99 LYS CG . 15327 1 1105 . 1 1 99 99 LYS N N 15 119.0 0.2 . 1 . . . . 99 LYS N . 15327 1 1106 . 1 1 100 100 LEU H H 1 7.52 0.02 . 1 . . . . 100 LEU H . 15327 1 1107 . 1 1 100 100 LEU HA H 1 3.96 0.02 . 1 . . . . 100 LEU HA . 15327 1 1108 . 1 1 100 100 LEU HB2 H 1 1.36 0.02 . 2 . . . . 100 LEU HB2 . 15327 1 1109 . 1 1 100 100 LEU HB3 H 1 2.36 0.02 . 2 . . . . 100 LEU HB3 . 15327 1 1110 . 1 1 100 100 LEU HD11 H 1 0.85 0.02 . 1 . . . . 100 LEU HD1 . 15327 1 1111 . 1 1 100 100 LEU HD12 H 1 0.85 0.02 . 1 . . . . 100 LEU HD1 . 15327 1 1112 . 1 1 100 100 LEU HD13 H 1 0.85 0.02 . 1 . . . . 100 LEU HD1 . 15327 1 1113 . 1 1 100 100 LEU HD21 H 1 0.91 0.02 . 1 . . . . 100 LEU HD2 . 15327 1 1114 . 1 1 100 100 LEU HD22 H 1 0.91 0.02 . 1 . . . . 100 LEU HD2 . 15327 1 1115 . 1 1 100 100 LEU HD23 H 1 0.91 0.02 . 1 . . . . 100 LEU HD2 . 15327 1 1116 . 1 1 100 100 LEU HG H 1 1.79 0.02 . 1 . . . . 100 LEU HG . 15327 1 1117 . 1 1 100 100 LEU C C 13 177.1 0.2 . 1 . . . . 100 LEU C . 15327 1 1118 . 1 1 100 100 LEU CA C 13 58.4 0.2 . 1 . . . . 100 LEU CA . 15327 1 1119 . 1 1 100 100 LEU CB C 13 41.8 0.2 . 1 . . . . 100 LEU CB . 15327 1 1120 . 1 1 100 100 LEU CD1 C 13 24.1 0.2 . 1 . . . . 100 LEU CD1 . 15327 1 1121 . 1 1 100 100 LEU CD2 C 13 26.5 0.2 . 1 . . . . 100 LEU CD2 . 15327 1 1122 . 1 1 100 100 LEU CG C 13 26.6 0.2 . 1 . . . . 100 LEU CG . 15327 1 1123 . 1 1 100 100 LEU N N 15 120.3 0.2 . 1 . . . . 100 LEU N . 15327 1 1124 . 1 1 101 101 ASP H H 1 8.66 0.02 . 1 . . . . 101 ASP H . 15327 1 1125 . 1 1 101 101 ASP HA H 1 4.57 0.02 . 1 . . . . 101 ASP HA . 15327 1 1126 . 1 1 101 101 ASP HB2 H 1 2.69 0.02 . 2 . . . . 101 ASP HB2 . 15327 1 1127 . 1 1 101 101 ASP HB3 H 1 2.81 0.02 . 2 . . . . 101 ASP HB3 . 15327 1 1128 . 1 1 101 101 ASP C C 13 180.5 0.2 . 1 . . . . 101 ASP C . 15327 1 1129 . 1 1 101 101 ASP CA C 13 57.5 0.2 . 1 . . . . 101 ASP CA . 15327 1 1130 . 1 1 101 101 ASP CB C 13 40.4 0.2 . 1 . . . . 101 ASP CB . 15327 1 1131 . 1 1 101 101 ASP N N 15 119.0 0.2 . 1 . . . . 101 ASP N . 15327 1 1132 . 1 1 102 102 ALA H H 1 7.90 0.02 . 1 . . . . 102 ALA H . 15327 1 1133 . 1 1 102 102 ALA HA H 1 4.18 0.02 . 1 . . . . 102 ALA HA . 15327 1 1134 . 1 1 102 102 ALA HB1 H 1 1.45 0.02 . 1 . . . . 102 ALA HB . 15327 1 1135 . 1 1 102 102 ALA HB2 H 1 1.45 0.02 . 1 . . . . 102 ALA HB . 15327 1 1136 . 1 1 102 102 ALA HB3 H 1 1.45 0.02 . 1 . . . . 102 ALA HB . 15327 1 1137 . 1 1 102 102 ALA C C 13 179.9 0.2 . 1 . . . . 102 ALA C . 15327 1 1138 . 1 1 102 102 ALA CA C 13 54.6 0.2 . 1 . . . . 102 ALA CA . 15327 1 1139 . 1 1 102 102 ALA CB C 13 18.2 0.2 . 1 . . . . 102 ALA CB . 15327 1 1140 . 1 1 102 102 ALA N N 15 121.2 0.2 . 1 . . . . 102 ALA N . 15327 1 1141 . 1 1 103 103 LEU H H 1 7.57 0.02 . 1 . . . . 103 LEU H . 15327 1 1142 . 1 1 103 103 LEU HA H 1 4.06 0.02 . 1 . . . . 103 LEU HA . 15327 1 1143 . 1 1 103 103 LEU HB2 H 1 0.97 0.02 . 2 . . . . 103 LEU HB2 . 15327 1 1144 . 1 1 103 103 LEU HB3 H 1 1.85 0.02 . 2 . . . . 103 LEU HB3 . 15327 1 1145 . 1 1 103 103 LEU HD11 H 1 0.72 0.02 . 1 . . . . 103 LEU HD1 . 15327 1 1146 . 1 1 103 103 LEU HD12 H 1 0.72 0.02 . 1 . . . . 103 LEU HD1 . 15327 1 1147 . 1 1 103 103 LEU HD13 H 1 0.72 0.02 . 1 . . . . 103 LEU HD1 . 15327 1 1148 . 1 1 103 103 LEU HD21 H 1 0.78 0.02 . 1 . . . . 103 LEU HD2 . 15327 1 1149 . 1 1 103 103 LEU HD22 H 1 0.78 0.02 . 1 . . . . 103 LEU HD2 . 15327 1 1150 . 1 1 103 103 LEU HD23 H 1 0.78 0.02 . 1 . . . . 103 LEU HD2 . 15327 1 1151 . 1 1 103 103 LEU HG H 1 2.01 0.02 . 1 . . . . 103 LEU HG . 15327 1 1152 . 1 1 103 103 LEU C C 13 178.2 0.2 . 1 . . . . 103 LEU C . 15327 1 1153 . 1 1 103 103 LEU CA C 13 56.9 0.2 . 1 . . . . 103 LEU CA . 15327 1 1154 . 1 1 103 103 LEU CB C 13 41.6 0.2 . 1 . . . . 103 LEU CB . 15327 1 1155 . 1 1 103 103 LEU CD1 C 13 26.5 0.2 . 1 . . . . 103 LEU CD1 . 15327 1 1156 . 1 1 103 103 LEU CD2 C 13 22.8 0.2 . 1 . . . . 103 LEU CD2 . 15327 1 1157 . 1 1 103 103 LEU CG C 13 26.2 0.2 . 1 . . . . 103 LEU CG . 15327 1 1158 . 1 1 103 103 LEU N N 15 117.8 0.2 . 1 . . . . 103 LEU N . 15327 1 1159 . 1 1 104 104 PHE H H 1 7.61 0.02 . 1 . . . . 104 PHE H . 15327 1 1160 . 1 1 104 104 PHE HA H 1 4.48 0.02 . 1 . . . . 104 PHE HA . 15327 1 1161 . 1 1 104 104 PHE HB2 H 1 3.17 0.02 . 2 . . . . 104 PHE HB2 . 15327 1 1162 . 1 1 104 104 PHE HB3 H 1 3.51 0.02 . 2 . . . . 104 PHE HB3 . 15327 1 1163 . 1 1 104 104 PHE HD1 H 1 7.42 0.02 . 3 . . . . 104 PHE HD1 . 15327 1 1164 . 1 1 104 104 PHE HE1 H 1 6.99 0.02 . 3 . . . . 104 PHE HE1 . 15327 1 1165 . 1 1 104 104 PHE HZ H 1 6.90 0.02 . 1 . . . . 104 PHE HZ . 15327 1 1166 . 1 1 104 104 PHE C C 13 176.4 0.2 . 1 . . . . 104 PHE C . 15327 1 1167 . 1 1 104 104 PHE CA C 13 58.1 0.2 . 1 . . . . 104 PHE CA . 15327 1 1168 . 1 1 104 104 PHE CB C 13 39.1 0.2 . 1 . . . . 104 PHE CB . 15327 1 1169 . 1 1 104 104 PHE CD1 C 13 132.2 0.2 . 3 . . . . 104 PHE CD1 . 15327 1 1170 . 1 1 104 104 PHE CE1 C 13 130.2 0.2 . 3 . . . . 104 PHE CE1 . 15327 1 1171 . 1 1 104 104 PHE CZ C 13 128.2 0.2 . 1 . . . . 104 PHE CZ . 15327 1 1172 . 1 1 104 104 PHE N N 15 116.3 0.2 . 1 . . . . 104 PHE N . 15327 1 1173 . 1 1 105 105 ALA H H 1 7.53 0.02 . 1 . . . . 105 ALA H . 15327 1 1174 . 1 1 105 105 ALA HA H 1 4.36 0.02 . 1 . . . . 105 ALA HA . 15327 1 1175 . 1 1 105 105 ALA HB1 H 1 1.43 0.02 . 1 . . . . 105 ALA HB . 15327 1 1176 . 1 1 105 105 ALA HB2 H 1 1.43 0.02 . 1 . . . . 105 ALA HB . 15327 1 1177 . 1 1 105 105 ALA HB3 H 1 1.43 0.02 . 1 . . . . 105 ALA HB . 15327 1 1178 . 1 1 105 105 ALA C C 13 177.9 0.2 . 1 . . . . 105 ALA C . 15327 1 1179 . 1 1 105 105 ALA CA C 13 53.1 0.2 . 1 . . . . 105 ALA CA . 15327 1 1180 . 1 1 105 105 ALA CB C 13 19.4 0.2 . 1 . . . . 105 ALA CB . 15327 1 1181 . 1 1 105 105 ALA N N 15 122.2 0.2 . 1 . . . . 105 ALA N . 15327 1 1182 . 1 1 106 106 ASP H H 1 8.23 0.02 . 1 . . . . 106 ASP H . 15327 1 1183 . 1 1 106 106 ASP HA H 1 4.56 0.02 . 1 . . . . 106 ASP HA . 15327 1 1184 . 1 1 106 106 ASP C C 13 176.6 0.2 . 1 . . . . 106 ASP C . 15327 1 1185 . 1 1 106 106 ASP CA C 13 55.3 0.2 . 1 . . . . 106 ASP CA . 15327 1 1186 . 1 1 106 106 ASP CB C 13 41.2 0.2 . 1 . . . . 106 ASP CB . 15327 1 1187 . 1 1 106 106 ASP N N 15 119.9 0.2 . 1 . . . . 106 ASP N . 15327 1 1188 . 1 1 107 107 ASP H H 1 8.22 0.02 . 1 . . . . 107 ASP H . 15327 1 1189 . 1 1 107 107 ASP HA H 1 4.51 0.02 . 1 . . . . 107 ASP HA . 15327 1 1190 . 1 1 107 107 ASP HB2 H 1 2.63 0.02 . 2 . . . . 107 ASP HB2 . 15327 1 1191 . 1 1 107 107 ASP HB3 H 1 2.72 0.02 . 2 . . . . 107 ASP HB3 . 15327 1 1192 . 1 1 107 107 ASP C C 13 176.8 0.2 . 1 . . . . 107 ASP C . 15327 1 1193 . 1 1 107 107 ASP CA C 13 55.0 0.2 . 1 . . . . 107 ASP CA . 15327 1 1194 . 1 1 107 107 ASP CB C 13 41.3 0.2 . 1 . . . . 107 ASP CB . 15327 1 1195 . 1 1 107 107 ASP N N 15 121.1 0.2 . 1 . . . . 107 ASP N . 15327 1 1196 . 1 1 108 108 ALA H H 1 8.30 0.02 . 1 . . . . 108 ALA H . 15327 1 1197 . 1 1 108 108 ALA HA H 1 4.26 0.02 . 1 . . . . 108 ALA HA . 15327 1 1198 . 1 1 108 108 ALA HB1 H 1 1.40 0.02 . 1 . . . . 108 ALA HB . 15327 1 1199 . 1 1 108 108 ALA HB2 H 1 1.40 0.02 . 1 . . . . 108 ALA HB . 15327 1 1200 . 1 1 108 108 ALA HB3 H 1 1.40 0.02 . 1 . . . . 108 ALA HB . 15327 1 1201 . 1 1 108 108 ALA C C 13 178.4 0.2 . 1 . . . . 108 ALA C . 15327 1 1202 . 1 1 108 108 ALA CA C 13 53.4 0.2 . 1 . . . . 108 ALA CA . 15327 1 1203 . 1 1 108 108 ALA CB C 13 18.8 0.2 . 1 . . . . 108 ALA CB . 15327 1 1204 . 1 1 108 108 ALA N N 15 124.0 0.2 . 1 . . . . 108 ALA N . 15327 1 1205 . 1 1 109 109 SER H H 1 8.19 0.02 . 1 . . . . 109 SER H . 15327 1 1206 . 1 1 109 109 SER HA H 1 4.32 0.02 . 1 . . . . 109 SER HA . 15327 1 1207 . 1 1 109 109 SER HB2 H 1 3.87 0.02 . 2 . . . . 109 SER HB2 . 15327 1 1208 . 1 1 109 109 SER HB3 H 1 3.92 0.02 . 2 . . . . 109 SER HB3 . 15327 1 1209 . 1 1 109 109 SER CA C 13 59.2 0.2 . 1 . . . . 109 SER CA . 15327 1 1210 . 1 1 109 109 SER CB C 13 63.6 0.2 . 1 . . . . 109 SER CB . 15327 1 1211 . 1 1 109 109 SER N N 15 114.1 0.2 . 1 . . . . 109 SER N . 15327 1 stop_ save_