data_15304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15304 _Entry.Title ; NMR strcuture determination of the periplasmic domain of ExbD from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-14 _Entry.Accession_date 2007-06-14 _Entry.Last_release_date 2008-02-28 _Entry.Original_release_date 2008-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.94 _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 A. Garcia-Herrero A. . . 15304 2 S. Peacock S. R. . 15304 3 P. Howard P. S. . 15304 4 H. Vogel H. J. . 15304 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 . 'not applicable' 'not applicable' . 15304 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ExbD . 15304 'periplasmic domain' . 15304 'proton motive force' . 15304 'TonB system' . 15304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 15304 '15N chemical shifts' 94 15304 '1H chemical shifts' 693 15304 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 . . 2008-02-28 2007-06-14 original author . 15304 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15304 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17927700 _Citation.Full_citation . _Citation.Title ; The solution structure of the periplasmic domain of the TonB system ExbD protein reveals an unexpected structural homology with siderophore binding proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 66 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 872 _Citation.Page_last 889 _Citation.Year 2007 _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 A. Garcia-Herrero A. . . 15304 1 2 S. Peacock S. R. . 15304 1 3 P. Howard P. S. . 15304 1 4 H. Vogel H. J. . 15304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15304 _Assembly.ID 1 _Assembly.Name 'ExbD periplasmic domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'ExbD periplasmic domain' 1 $Biopolymer_transport_exbD_protein A . yes native no no . . . 15304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Biopolymer_transport_exbD_protein _Entity.Sf_category entity _Entity.Sf_framecode Biopolymer_transport_exbD_protein _Entity.Entry_ID 15304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Biopolymer_transport_exbD_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVKVNLPASTSTPQPRPEK PVYLSVKADNSMFIGNDPVT DETMITALNALTEGKKDTTI FFRADKTVDYETLMKVMDTL HQAGYLKIGLVGEETAKAK ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method nat _Entity.Parent_entity_ID . _Entity.Fragment 'Periplasmic domain (residues 44-141)' _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 2PFU . "Nmr Strcuture Determination Of The Periplasmic Domain Of Exbd From E.Coli" . . . . . 100.00 99 100.00 100.00 2.29e-64 . . . . 15304 1 2 no DBJ BAB37312 . "uptake of enterochelin; tonB-dependent uptake of B colicins [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 3 no DBJ BAE77063 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 4 no DBJ BAG78813 . "biopolymer transport protein [Escherichia coli SE11]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 5 no DBJ BAI27294 . "membrane spanning protein ExbD [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 6 no DBJ BAI32408 . "membrane spanning protein ExbD [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 7 no EMBL CAP77468 . "biopolymer transport protein exbD [Escherichia coli LF82]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 8 no EMBL CAQ33346 . "ExbD uptake of enterochelin; tonB-dependent uptake of B colicins, subunit of TonB energy transducing system, vitamin B12 outer " . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 9 no EMBL CAQ90439 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 141 97.98 98.99 2.22e-62 . . . . 15304 1 10 no EMBL CAQ99968 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia coli IAI1]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 11 no EMBL CAR04618 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia coli S88]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 12 no GB AAA23733 . "exbD peptide [Escherichia coli]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 13 no GB AAA69172 . "exbD [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 14 no GB AAC76041 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 15 no GB AAG58141 . "uptake of enterochelin; tonB-dependent uptake of B colicins [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 16 no GB AAN44528 . "enterochelin transporter (uptake) [Shigella flexneri 2a str. 301]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 17 no REF NP_311916 . "biopolymer transport protein ExbD [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 18 no REF NP_417478 . "membrane spanning protein in TonB-ExbB-ExbD complex [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 19 no REF NP_708821 . "biopolymer transport protein ExbD [Shigella flexneri 2a str. 301]" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 20 no REF WP_001062147 . "MULTISPECIES: biopolymer transporter ExbD [Escherichia]" . . . . . 100.00 141 98.99 100.00 2.96e-63 . . . . 15304 1 21 no REF WP_001240704 . "biopolymer transporter ExbD [Escherichia fergusonii]" . . . . . 100.00 141 97.98 98.99 2.22e-62 . . . . 15304 1 22 no SP P0ABV2 . "RecName: Full=Biopolymer transport protein ExbD" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 23 no SP P0ABV3 . "RecName: Full=Biopolymer transport protein ExbD" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 24 no SP P0ABV4 . "RecName: Full=Biopolymer transport protein ExbD" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 25 no SP P0ABV5 . "RecName: Full=Biopolymer transport protein ExbD" . . . . . 100.00 141 98.99 100.00 3.26e-63 . . . . 15304 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bacteriocin transport' SWS-KEYWORD 15304 1 'Biopolymer transport exbD protein' RCSB_NAME 15304 1 'Complete proteome' SWS-KEYWORD 15304 1 'Inner membrane' SWS-KEYWORD 15304 1 Membrane SWS-KEYWORD 15304 1 'Protein transport' SWS-KEYWORD 15304 1 Signal-anchor SWS-KEYWORD 15304 1 Transmembrane SWS-KEYWORD 15304 1 Transport SWS-KEYWORD 15304 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 0 MET . 15304 1 2 44 ASP . 15304 1 3 45 VAL . 15304 1 4 46 LYS . 15304 1 5 47 VAL . 15304 1 6 48 ASN . 15304 1 7 49 LEU . 15304 1 8 50 PRO . 15304 1 9 51 ALA . 15304 1 10 52 SER . 15304 1 11 53 THR . 15304 1 12 54 SER . 15304 1 13 55 THR . 15304 1 14 56 PRO . 15304 1 15 57 GLN . 15304 1 16 58 PRO . 15304 1 17 59 ARG . 15304 1 18 60 PRO . 15304 1 19 61 GLU . 15304 1 20 62 LYS . 15304 1 21 63 PRO . 15304 1 22 64 VAL . 15304 1 23 65 TYR . 15304 1 24 66 LEU . 15304 1 25 67 SER . 15304 1 26 68 VAL . 15304 1 27 69 LYS . 15304 1 28 70 ALA . 15304 1 29 71 ASP . 15304 1 30 72 ASN . 15304 1 31 73 SER . 15304 1 32 74 MET . 15304 1 33 75 PHE . 15304 1 34 76 ILE . 15304 1 35 77 GLY . 15304 1 36 78 ASN . 15304 1 37 79 ASP . 15304 1 38 80 PRO . 15304 1 39 81 VAL . 15304 1 40 82 THR . 15304 1 41 83 ASP . 15304 1 42 84 GLU . 15304 1 43 85 THR . 15304 1 44 86 MET . 15304 1 45 87 ILE . 15304 1 46 88 THR . 15304 1 47 89 ALA . 15304 1 48 90 LEU . 15304 1 49 91 ASN . 15304 1 50 92 ALA . 15304 1 51 93 LEU . 15304 1 52 94 THR . 15304 1 53 95 GLU . 15304 1 54 96 GLY . 15304 1 55 97 LYS . 15304 1 56 98 LYS . 15304 1 57 99 ASP . 15304 1 58 100 THR . 15304 1 59 101 THR . 15304 1 60 102 ILE . 15304 1 61 103 PHE . 15304 1 62 104 PHE . 15304 1 63 105 ARG . 15304 1 64 106 ALA . 15304 1 65 107 ASP . 15304 1 66 108 LYS . 15304 1 67 109 THR . 15304 1 68 110 VAL . 15304 1 69 111 ASP . 15304 1 70 112 TYR . 15304 1 71 113 GLU . 15304 1 72 114 THR . 15304 1 73 115 LEU . 15304 1 74 116 MET . 15304 1 75 117 LYS . 15304 1 76 118 VAL . 15304 1 77 119 MET . 15304 1 78 120 ASP . 15304 1 79 121 THR . 15304 1 80 122 LEU . 15304 1 81 123 HIS . 15304 1 82 124 GLN . 15304 1 83 125 ALA . 15304 1 84 126 GLY . 15304 1 85 127 TYR . 15304 1 86 128 LEU . 15304 1 87 129 LYS . 15304 1 88 130 ILE . 15304 1 89 131 GLY . 15304 1 90 132 LEU . 15304 1 91 133 VAL . 15304 1 92 134 GLY . 15304 1 93 135 GLU . 15304 1 94 136 GLU . 15304 1 95 137 THR . 15304 1 96 138 ALA . 15304 1 97 139 LYS . 15304 1 98 140 ALA . 15304 1 99 141 LYS . 15304 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 15304 1 . ASP 2 2 15304 1 . VAL 3 3 15304 1 . LYS 4 4 15304 1 . VAL 5 5 15304 1 . ASN 6 6 15304 1 . LEU 7 7 15304 1 . PRO 8 8 15304 1 . ALA 9 9 15304 1 . SER 10 10 15304 1 . THR 11 11 15304 1 . SER 12 12 15304 1 . THR 13 13 15304 1 . PRO 14 14 15304 1 . GLN 15 15 15304 1 . PRO 16 16 15304 1 . ARG 17 17 15304 1 . PRO 18 18 15304 1 . GLU 19 19 15304 1 . LYS 20 20 15304 1 . PRO 21 21 15304 1 . VAL 22 22 15304 1 . TYR 23 23 15304 1 . LEU 24 24 15304 1 . SER 25 25 15304 1 . VAL 26 26 15304 1 . LYS 27 27 15304 1 . ALA 28 28 15304 1 . ASP 29 29 15304 1 . ASN 30 30 15304 1 . SER 31 31 15304 1 . MET 32 32 15304 1 . PHE 33 33 15304 1 . ILE 34 34 15304 1 . GLY 35 35 15304 1 . ASN 36 36 15304 1 . ASP 37 37 15304 1 . PRO 38 38 15304 1 . VAL 39 39 15304 1 . THR 40 40 15304 1 . ASP 41 41 15304 1 . GLU 42 42 15304 1 . THR 43 43 15304 1 . MET 44 44 15304 1 . ILE 45 45 15304 1 . THR 46 46 15304 1 . ALA 47 47 15304 1 . LEU 48 48 15304 1 . ASN 49 49 15304 1 . ALA 50 50 15304 1 . LEU 51 51 15304 1 . THR 52 52 15304 1 . GLU 53 53 15304 1 . GLY 54 54 15304 1 . LYS 55 55 15304 1 . LYS 56 56 15304 1 . ASP 57 57 15304 1 . THR 58 58 15304 1 . THR 59 59 15304 1 . ILE 60 60 15304 1 . PHE 61 61 15304 1 . PHE 62 62 15304 1 . ARG 63 63 15304 1 . ALA 64 64 15304 1 . ASP 65 65 15304 1 . LYS 66 66 15304 1 . THR 67 67 15304 1 . VAL 68 68 15304 1 . ASP 69 69 15304 1 . TYR 70 70 15304 1 . GLU 71 71 15304 1 . THR 72 72 15304 1 . LEU 73 73 15304 1 . MET 74 74 15304 1 . LYS 75 75 15304 1 . VAL 76 76 15304 1 . MET 77 77 15304 1 . ASP 78 78 15304 1 . THR 79 79 15304 1 . LEU 80 80 15304 1 . HIS 81 81 15304 1 . GLN 82 82 15304 1 . ALA 83 83 15304 1 . GLY 84 84 15304 1 . TYR 85 85 15304 1 . LEU 86 86 15304 1 . LYS 87 87 15304 1 . ILE 88 88 15304 1 . GLY 89 89 15304 1 . LEU 90 90 15304 1 . VAL 91 91 15304 1 . GLY 92 92 15304 1 . GLU 93 93 15304 1 . GLU 94 94 15304 1 . THR 95 95 15304 1 . ALA 96 96 15304 1 . LYS 97 97 15304 1 . ALA 98 98 15304 1 . LYS 99 99 15304 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 15304 _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 $Biopolymer_transport_exbD_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 15304 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 15304 _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 $Biopolymer_transport_exbD_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . GG . pET30a . . . . . . 15304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15304 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2mM per-ExbD U-15N, 13C, 100% D2O, pH 3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O, pH 3' _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 'Biopolymer transport exbD protein' '[U-13C; U-15N]' . . 1 $Biopolymer_transport_exbD_protein . . 0.2 . . mM . . . . 15304 1 2 D2O . . . . . . . 100 . . % . . . . 15304 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15304 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2mM per-ExbD U-15N, 90% H2O/10% D2O, pH 3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O, pH 3' _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 'Biopolymer transport exbD protein' [U-15N] . . 1 $Biopolymer_transport_exbD_protein . . 0.2 . . mM . . . . 15304 2 2 D2O . . . . . . . 10 . . % . . . . 15304 2 3 H2O . . . . . . . 90 . . % . . . . 15304 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15304 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2mM per-ExbD, 100% D2O, pH 3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O, pH 3' _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 'Biopolymer transport exbD protein' 'natural abundance' . . 1 $Biopolymer_transport_exbD_protein . . 0.2 . . mM . . . . 15304 3 2 D2O . . . . . . . 100 . . % . . . . 15304 3 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 15304 _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 pH 3 . pH 15304 1 pressure 1 . atm 15304 1 temperature 298 . K 15304 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15304 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, P. ET AL.' . . 15304 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15304 1 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 15304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15304 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_700 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 700 _NMR_spectrometer_list.Entry_ID 15304 _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 Bruker AVANCE . 500 . . . 15304 1 2 spectrometer_2 Bruker AVANCE . 700 . . . 15304 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 15304 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15304 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15304 1 3 '2D NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15304 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 15304 _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 internal indirect 0.251449530 . . . . . . . . . 15304 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15304 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15304 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 15304 _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 '3D 13C-separated NOESY' . . . 15304 1 2 '3D 15N-separated NOESY' . . . 15304 1 3 '2D NOESY' . . . 15304 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 15304 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 ASP H H 1 8.930 0.020 . 1 . . . . 44 ASP H . 15304 1 2 . 1 1 2 2 ASP HA H 1 4.860 0.020 . 1 . . . . 44 ASP HA . 15304 1 3 . 1 1 2 2 ASP HB2 H 1 2.998 0.020 . 2 . . . . 44 ASP HB2 . 15304 1 4 . 1 1 2 2 ASP HB3 H 1 2.730 0.020 . 2 . . . . 44 ASP HB3 . 15304 1 5 . 1 1 2 2 ASP C C 13 175.278 0.400 . 1 . . . . 44 ASP C . 15304 1 6 . 1 1 2 2 ASP CA C 13 53.516 0.400 . 1 . . . . 44 ASP CA . 15304 1 7 . 1 1 2 2 ASP CB C 13 39.397 0.400 . 1 . . . . 44 ASP CB . 15304 1 8 . 1 1 2 2 ASP N N 15 122.920 0.400 . 1 . . . . 44 ASP N . 15304 1 9 . 1 1 3 3 VAL H H 1 8.329 0.020 . 1 . . . . 45 VAL H . 15304 1 10 . 1 1 3 3 VAL HA H 1 4.120 0.020 . 1 . . . . 45 VAL HA . 15304 1 11 . 1 1 3 3 VAL HB H 1 2.093 0.020 . 1 . . . . 45 VAL HB . 15304 1 12 . 1 1 3 3 VAL HG11 H 1 0.930 0.020 . 1 . . . . 45 VAL HG1 . 15304 1 13 . 1 1 3 3 VAL HG12 H 1 0.930 0.020 . 1 . . . . 45 VAL HG1 . 15304 1 14 . 1 1 3 3 VAL HG13 H 1 0.930 0.020 . 1 . . . . 45 VAL HG1 . 15304 1 15 . 1 1 3 3 VAL HG21 H 1 0.930 0.020 . 1 . . . . 45 VAL HG2 . 15304 1 16 . 1 1 3 3 VAL HG22 H 1 0.930 0.020 . 1 . . . . 45 VAL HG2 . 15304 1 17 . 1 1 3 3 VAL HG23 H 1 0.930 0.020 . 1 . . . . 45 VAL HG2 . 15304 1 18 . 1 1 3 3 VAL C C 13 175.938 0.400 . 1 . . . . 45 VAL C . 15304 1 19 . 1 1 3 3 VAL CA C 13 62.422 0.400 . 1 . . . . 45 VAL CA . 15304 1 20 . 1 1 3 3 VAL CB C 13 32.300 0.400 . 1 . . . . 45 VAL CB . 15304 1 21 . 1 1 3 3 VAL CG1 C 13 21.172 0.400 . 1 . . . . 45 VAL CG1 . 15304 1 22 . 1 1 3 3 VAL CG2 C 13 21.172 0.400 . 1 . . . . 45 VAL CG2 . 15304 1 23 . 1 1 3 3 VAL N N 15 121.541 0.400 . 1 . . . . 45 VAL N . 15304 1 24 . 1 1 4 4 LYS H H 1 8.400 0.020 . 1 . . . . 46 LYS H . 15304 1 25 . 1 1 4 4 LYS HA H 1 4.387 0.020 . 1 . . . . 46 LYS HA . 15304 1 26 . 1 1 4 4 LYS HB2 H 1 1.807 0.020 . 2 . . . . 46 LYS HB2 . 15304 1 27 . 1 1 4 4 LYS HB3 H 1 1.807 0.020 . 2 . . . . 46 LYS HB3 . 15304 1 28 . 1 1 4 4 LYS HD2 H 1 1.885 0.020 . 2 . . . . 46 LYS HD2 . 15304 1 29 . 1 1 4 4 LYS HD3 H 1 1.885 0.020 . 2 . . . . 46 LYS HD3 . 15304 1 30 . 1 1 4 4 LYS HE2 H 1 2.989 0.020 . 2 . . . . 46 LYS HE2 . 15304 1 31 . 1 1 4 4 LYS HE3 H 1 2.989 0.020 . 2 . . . . 46 LYS HE3 . 15304 1 32 . 1 1 4 4 LYS HG2 H 1 1.479 0.020 . 2 . . . . 46 LYS HG2 . 15304 1 33 . 1 1 4 4 LYS HG3 H 1 1.479 0.020 . 2 . . . . 46 LYS HG3 . 15304 1 34 . 1 1 4 4 LYS C C 13 176.333 0.400 . 1 . . . . 46 LYS C . 15304 1 35 . 1 1 4 4 LYS CA C 13 56.270 0.400 . 1 . . . . 46 LYS CA . 15304 1 36 . 1 1 4 4 LYS CB C 13 32.874 0.400 . 1 . . . . 46 LYS CB . 15304 1 37 . 1 1 4 4 LYS CD C 13 28.998 0.400 . 1 . . . . 46 LYS CD . 15304 1 38 . 1 1 4 4 LYS CE C 13 42.286 0.400 . 1 . . . . 46 LYS CE . 15304 1 39 . 1 1 4 4 LYS CG C 13 24.625 0.400 . 1 . . . . 46 LYS CG . 15304 1 40 . 1 1 4 4 LYS N N 15 125.410 0.400 . 1 . . . . 46 LYS N . 15304 1 41 . 1 1 4 4 LYS NZ N 15 107.395 0.400 . 1 . . . . 46 LYS NZ . 15304 1 42 . 1 1 5 5 VAL H H 1 8.190 0.020 . 1 . . . . 47 VAL H . 15304 1 43 . 1 1 5 5 VAL HA H 1 4.118 0.020 . 1 . . . . 47 VAL HA . 15304 1 44 . 1 1 5 5 VAL HB H 1 2.066 0.020 . 1 . . . . 47 VAL HB . 15304 1 45 . 1 1 5 5 VAL HG11 H 1 0.911 0.020 . 1 . . . . 47 VAL HG1 . 15304 1 46 . 1 1 5 5 VAL HG12 H 1 0.911 0.020 . 1 . . . . 47 VAL HG1 . 15304 1 47 . 1 1 5 5 VAL HG13 H 1 0.911 0.020 . 1 . . . . 47 VAL HG1 . 15304 1 48 . 1 1 5 5 VAL HG21 H 1 0.911 0.020 . 1 . . . . 47 VAL HG2 . 15304 1 49 . 1 1 5 5 VAL HG22 H 1 0.911 0.020 . 1 . . . . 47 VAL HG2 . 15304 1 50 . 1 1 5 5 VAL HG23 H 1 0.911 0.020 . 1 . . . . 47 VAL HG2 . 15304 1 51 . 1 1 5 5 VAL C C 13 175.567 0.400 . 1 . . . . 47 VAL C . 15304 1 52 . 1 1 5 5 VAL CA C 13 61.954 0.400 . 1 . . . . 47 VAL CA . 15304 1 53 . 1 1 5 5 VAL CB C 13 32.443 0.400 . 1 . . . . 47 VAL CB . 15304 1 54 . 1 1 5 5 VAL CG1 C 13 21.172 0.400 . 1 . . . . 47 VAL CG1 . 15304 1 55 . 1 1 5 5 VAL CG2 C 13 21.172 0.400 . 1 . . . . 47 VAL CG2 . 15304 1 56 . 1 1 5 5 VAL N N 15 121.672 0.400 . 1 . . . . 47 VAL N . 15304 1 57 . 1 1 6 6 ASN H H 1 8.571 0.020 . 1 . . . . 48 ASN H . 15304 1 58 . 1 1 6 6 ASN HA H 1 4.750 0.020 . 1 . . . . 48 ASN HA . 15304 1 59 . 1 1 6 6 ASN HB2 H 1 2.772 0.020 . 2 . . . . 48 ASN HB2 . 15304 1 60 . 1 1 6 6 ASN HB3 H 1 2.772 0.020 . 2 . . . . 48 ASN HB3 . 15304 1 61 . 1 1 6 6 ASN C C 13 174.566 0.400 . 1 . . . . 48 ASN C . 15304 1 62 . 1 1 6 6 ASN CA C 13 53.047 0.400 . 1 . . . . 48 ASN CA . 15304 1 63 . 1 1 6 6 ASN CB C 13 38.901 0.400 . 1 . . . . 48 ASN CB . 15304 1 64 . 1 1 6 6 ASN N N 15 123.230 0.400 . 1 . . . . 48 ASN N . 15304 1 65 . 1 1 7 7 LEU H H 1 8.286 0.020 . 1 . . . . 49 LEU H . 15304 1 66 . 1 1 7 7 LEU HA H 1 4.632 0.020 . 1 . . . . 49 LEU HA . 15304 1 67 . 1 1 7 7 LEU HB2 H 1 1.609 0.020 . 2 . . . . 49 LEU HB2 . 15304 1 68 . 1 1 7 7 LEU HB3 H 1 1.551 0.020 . 2 . . . . 49 LEU HB3 . 15304 1 69 . 1 1 7 7 LEU HD11 H 1 0.936 0.020 . 1 . . . . 49 LEU HD1 . 15304 1 70 . 1 1 7 7 LEU HD12 H 1 0.936 0.020 . 1 . . . . 49 LEU HD1 . 15304 1 71 . 1 1 7 7 LEU HD13 H 1 0.936 0.020 . 1 . . . . 49 LEU HD1 . 15304 1 72 . 1 1 7 7 LEU HD21 H 1 0.872 0.020 . 1 . . . . 49 LEU HD2 . 15304 1 73 . 1 1 7 7 LEU HD22 H 1 0.872 0.020 . 1 . . . . 49 LEU HD2 . 15304 1 74 . 1 1 7 7 LEU HD23 H 1 0.872 0.020 . 1 . . . . 49 LEU HD2 . 15304 1 75 . 1 1 7 7 LEU HG H 1 2.053 0.020 . 1 . . . . 49 LEU HG . 15304 1 76 . 1 1 7 7 LEU C C 13 175.162 0.400 . 1 . . . . 49 LEU C . 15304 1 77 . 1 1 7 7 LEU CA C 13 53.047 0.400 . 1 . . . . 49 LEU CA . 15304 1 78 . 1 1 7 7 LEU CB C 13 41.825 0.400 . 1 . . . . 49 LEU CB . 15304 1 79 . 1 1 7 7 LEU CD1 C 13 23.516 0.400 . 1 . . . . 49 LEU CD1 . 15304 1 80 . 1 1 7 7 LEU CD2 C 13 23.516 0.400 . 1 . . . . 49 LEU CD2 . 15304 1 81 . 1 1 7 7 LEU CG C 13 31.900 0.400 . 1 . . . . 49 LEU CG . 15304 1 82 . 1 1 7 7 LEU N N 15 124.491 0.400 . 1 . . . . 49 LEU N . 15304 1 83 . 1 1 8 8 PRO HA H 1 4.443 0.020 . 1 . . . . 50 PRO HA . 15304 1 84 . 1 1 8 8 PRO HB2 H 1 2.329 0.020 . 2 . . . . 50 PRO HB2 . 15304 1 85 . 1 1 8 8 PRO HB3 H 1 1.976 0.020 . 2 . . . . 50 PRO HB3 . 15304 1 86 . 1 1 8 8 PRO HD2 H 1 3.820 0.020 . 2 . . . . 50 PRO HD2 . 15304 1 87 . 1 1 8 8 PRO HD3 H 1 3.694 0.020 . 2 . . . . 50 PRO HD3 . 15304 1 88 . 1 1 8 8 PRO HG2 H 1 2.048 0.020 . 2 . . . . 50 PRO HG2 . 15304 1 89 . 1 1 8 8 PRO HG3 H 1 2.048 0.020 . 2 . . . . 50 PRO HG3 . 15304 1 90 . 1 1 8 8 PRO C C 13 176.734 0.400 . 1 . . . . 50 PRO C . 15304 1 91 . 1 1 8 8 PRO CA C 13 62.903 0.400 . 1 . . . . 50 PRO CA . 15304 1 92 . 1 1 8 8 PRO CB C 13 31.839 0.400 . 1 . . . . 50 PRO CB . 15304 1 93 . 1 1 8 8 PRO CD C 13 51.032 0.400 . 1 . . . . 50 PRO CD . 15304 1 94 . 1 1 8 8 PRO CG C 13 26.895 0.400 . 1 . . . . 50 PRO CG . 15304 1 95 . 1 1 9 9 ALA H H 1 8.424 0.020 . 1 . . . . 51 ALA H . 15304 1 96 . 1 1 9 9 ALA HA H 1 4.330 0.020 . 1 . . . . 51 ALA HA . 15304 1 97 . 1 1 9 9 ALA HB1 H 1 1.428 0.020 . 1 . . . . 51 ALA HB . 15304 1 98 . 1 1 9 9 ALA HB2 H 1 1.428 0.020 . 1 . . . . 51 ALA HB . 15304 1 99 . 1 1 9 9 ALA HB3 H 1 1.428 0.020 . 1 . . . . 51 ALA HB . 15304 1 100 . 1 1 9 9 ALA C C 13 178.124 0.400 . 1 . . . . 51 ALA C . 15304 1 101 . 1 1 9 9 ALA CA C 13 52.578 0.400 . 1 . . . . 51 ALA CA . 15304 1 102 . 1 1 9 9 ALA CB C 13 19.297 0.400 . 1 . . . . 51 ALA CB . 15304 1 103 . 1 1 9 9 ALA N N 15 124.364 0.400 . 1 . . . . 51 ALA N . 15304 1 104 . 1 1 10 10 SER H H 1 8.380 0.020 . 1 . . . . 52 SER H . 15304 1 105 . 1 1 10 10 SER HA H 1 4.223 0.020 . 1 . . . . 52 SER HA . 15304 1 106 . 1 1 10 10 SER HB2 H 1 3.953 0.020 . 2 . . . . 52 SER HB2 . 15304 1 107 . 1 1 10 10 SER HB3 H 1 3.953 0.020 . 2 . . . . 52 SER HB3 . 15304 1 108 . 1 1 10 10 SER C C 13 174.982 0.400 . 1 . . . . 52 SER C . 15304 1 109 . 1 1 10 10 SER CA C 13 58.672 0.400 . 1 . . . . 52 SER CA . 15304 1 110 . 1 1 10 10 SER CB C 13 63.829 0.400 . 1 . . . . 52 SER CB . 15304 1 111 . 1 1 10 10 SER N N 15 114.800 0.400 . 1 . . . . 52 SER N . 15304 1 112 . 1 1 11 11 THR H H 1 8.227 0.020 . 1 . . . . 53 THR H . 15304 1 113 . 1 1 11 11 THR HA H 1 4.478 0.020 . 1 . . . . 53 THR HA . 15304 1 114 . 1 1 11 11 THR HB H 1 4.478 0.020 . 1 . . . . 53 THR HB . 15304 1 115 . 1 1 11 11 THR HG21 H 1 1.274 0.020 . 1 . . . . 53 THR HG2 . 15304 1 116 . 1 1 11 11 THR HG22 H 1 1.274 0.020 . 1 . . . . 53 THR HG2 . 15304 1 117 . 1 1 11 11 THR HG23 H 1 1.274 0.020 . 1 . . . . 53 THR HG2 . 15304 1 118 . 1 1 11 11 THR C C 13 174.612 0.400 . 1 . . . . 53 THR C . 15304 1 119 . 1 1 11 11 THR CA C 13 61.922 0.400 . 1 . . . . 53 THR CA . 15304 1 120 . 1 1 11 11 THR CB C 13 69.922 0.400 . 1 . . . . 53 THR CB . 15304 1 121 . 1 1 11 11 THR CG2 C 13 21.172 0.400 . 1 . . . . 53 THR CG2 . 15304 1 122 . 1 1 11 11 THR N N 15 115.236 0.400 . 1 . . . . 53 THR N . 15304 1 123 . 1 1 12 12 SER H H 1 8.330 0.020 . 1 . . . . 54 SER H . 15304 1 124 . 1 1 12 12 SER HA H 1 4.559 0.020 . 1 . . . . 54 SER HA . 15304 1 125 . 1 1 12 12 SER HB2 H 1 3.889 0.020 . 2 . . . . 54 SER HB2 . 15304 1 126 . 1 1 12 12 SER HB3 H 1 3.889 0.020 . 2 . . . . 54 SER HB3 . 15304 1 127 . 1 1 12 12 SER C C 13 174.299 0.400 . 1 . . . . 54 SER C . 15304 1 128 . 1 1 12 12 SER CA C 13 58.204 0.400 . 1 . . . . 54 SER CA . 15304 1 129 . 1 1 12 12 SER CB C 13 63.891 0.400 . 1 . . . . 54 SER CB . 15304 1 130 . 1 1 12 12 SER N N 15 117.770 0.400 . 1 . . . . 54 SER N . 15304 1 131 . 1 1 13 13 THR H H 1 8.274 0.020 . 1 . . . . 55 THR H . 15304 1 132 . 1 1 13 13 THR HA H 1 4.624 0.020 . 1 . . . . 55 THR HA . 15304 1 133 . 1 1 13 13 THR HB H 1 4.148 0.020 . 1 . . . . 55 THR HB . 15304 1 134 . 1 1 13 13 THR HG21 H 1 1.260 0.020 . 1 . . . . 55 THR HG2 . 15304 1 135 . 1 1 13 13 THR HG22 H 1 1.260 0.020 . 1 . . . . 55 THR HG2 . 15304 1 136 . 1 1 13 13 THR HG23 H 1 1.260 0.020 . 1 . . . . 55 THR HG2 . 15304 1 137 . 1 1 13 13 THR C C 13 170.400 0.400 . 1 . . . . 55 THR C . 15304 1 138 . 1 1 13 13 THR CA C 13 60.079 0.400 . 1 . . . . 55 THR CA . 15304 1 139 . 1 1 13 13 THR CB C 13 69.922 0.400 . 1 . . . . 55 THR CB . 15304 1 140 . 1 1 13 13 THR CG2 C 13 20.703 0.400 . 1 . . . . 55 THR CG2 . 15304 1 141 . 1 1 13 13 THR N N 15 118.865 0.400 . 1 . . . . 55 THR N . 15304 1 142 . 1 1 14 14 PRO HA H 1 4.458 0.020 . 1 . . . . 56 PRO HA . 15304 1 143 . 1 1 14 14 PRO HB2 H 1 1.982 0.020 . 2 . . . . 56 PRO HB2 . 15304 1 144 . 1 1 14 14 PRO HB3 H 1 1.982 0.020 . 2 . . . . 56 PRO HB3 . 15304 1 145 . 1 1 14 14 PRO HD2 H 1 3.724 0.020 . 2 . . . . 56 PRO HD2 . 15304 1 146 . 1 1 14 14 PRO HD3 H 1 3.894 0.020 . 2 . . . . 56 PRO HD3 . 15304 1 147 . 1 1 14 14 PRO HG2 H 1 2.090 0.020 . 2 . . . . 56 PRO HG2 . 15304 1 148 . 1 1 14 14 PRO HG3 H 1 2.031 0.020 . 2 . . . . 56 PRO HG3 . 15304 1 149 . 1 1 14 14 PRO C C 13 176.748 0.400 . 1 . . . . 56 PRO C . 15304 1 150 . 1 1 14 14 PRO CA C 13 63.076 0.400 . 1 . . . . 56 PRO CA . 15304 1 151 . 1 1 14 14 PRO CB C 13 32.043 0.400 . 1 . . . . 56 PRO CB . 15304 1 152 . 1 1 14 14 PRO CD C 13 50.873 0.400 . 1 . . . . 56 PRO CD . 15304 1 153 . 1 1 14 14 PRO CG C 13 27.144 0.400 . 1 . . . . 56 PRO CG . 15304 1 154 . 1 1 15 15 GLN H H 1 8.547 0.020 . 1 . . . . 57 GLN H . 15304 1 155 . 1 1 15 15 GLN HA H 1 4.620 0.020 . 1 . . . . 57 GLN HA . 15304 1 156 . 1 1 15 15 GLN HB2 H 1 1.960 0.020 . 2 . . . . 57 GLN HB2 . 15304 1 157 . 1 1 15 15 GLN HB3 H 1 1.960 0.020 . 2 . . . . 57 GLN HB3 . 15304 1 158 . 1 1 15 15 GLN HG2 H 1 2.410 0.020 . 2 . . . . 57 GLN HG2 . 15304 1 159 . 1 1 15 15 GLN HG3 H 1 2.410 0.020 . 2 . . . . 57 GLN HG3 . 15304 1 160 . 1 1 15 15 GLN CA C 13 53.600 0.400 . 1 . . . . 57 GLN CA . 15304 1 161 . 1 1 15 15 GLN CB C 13 29.141 0.400 . 1 . . . . 57 GLN CB . 15304 1 162 . 1 1 15 15 GLN CG C 13 33.829 0.400 . 1 . . . . 57 GLN CG . 15304 1 163 . 1 1 15 15 GLN N N 15 122.041 0.400 . 1 . . . . 57 GLN N . 15304 1 164 . 1 1 15 15 GLN NE2 N 15 112.934 0.400 . 1 . . . . 57 GLN NE2 . 15304 1 165 . 1 1 16 16 PRO HA H 1 4.458 0.020 . 1 . . . . 58 PRO HA . 15304 1 166 . 1 1 16 16 PRO HB2 H 1 2.309 0.020 . 2 . . . . 58 PRO HB2 . 15304 1 167 . 1 1 16 16 PRO HB3 H 1 1.875 0.020 . 2 . . . . 58 PRO HB3 . 15304 1 168 . 1 1 16 16 PRO HD2 H 1 3.684 0.020 . 2 . . . . 58 PRO HD2 . 15304 1 169 . 1 1 16 16 PRO HD3 H 1 3.832 0.020 . 2 . . . . 58 PRO HD3 . 15304 1 170 . 1 1 16 16 PRO HG2 H 1 2.054 0.020 . 2 . . . . 58 PRO HG2 . 15304 1 171 . 1 1 16 16 PRO HG3 H 1 2.054 0.020 . 2 . . . . 58 PRO HG3 . 15304 1 172 . 1 1 16 16 PRO C C 13 176.620 0.400 . 1 . . . . 58 PRO C . 15304 1 173 . 1 1 16 16 PRO CA C 13 62.872 0.400 . 1 . . . . 58 PRO CA . 15304 1 174 . 1 1 16 16 PRO CB C 13 32.111 0.400 . 1 . . . . 58 PRO CB . 15304 1 175 . 1 1 16 16 PRO CD C 13 51.172 0.400 . 1 . . . . 58 PRO CD . 15304 1 176 . 1 1 16 16 PRO CG C 13 26.979 0.400 . 1 . . . . 58 PRO CG . 15304 1 177 . 1 1 17 17 ARG H H 1 8.511 0.020 . 1 . . . . 59 ARG H . 15304 1 178 . 1 1 17 17 ARG HA H 1 4.643 0.020 . 1 . . . . 59 ARG HA . 15304 1 179 . 1 1 17 17 ARG HB2 H 1 1.783 0.020 . 2 . . . . 59 ARG HB2 . 15304 1 180 . 1 1 17 17 ARG HB3 H 1 1.890 0.020 . 2 . . . . 59 ARG HB3 . 15304 1 181 . 1 1 17 17 ARG HD2 H 1 3.260 0.020 . 2 . . . . 59 ARG HD2 . 15304 1 182 . 1 1 17 17 ARG HD3 H 1 3.260 0.020 . 2 . . . . 59 ARG HD3 . 15304 1 183 . 1 1 17 17 ARG HG2 H 1 1.520 0.020 . 2 . . . . 59 ARG HG2 . 15304 1 184 . 1 1 17 17 ARG HG3 H 1 1.590 0.020 . 2 . . . . 59 ARG HG3 . 15304 1 185 . 1 1 17 17 ARG CA C 13 53.985 0.400 . 1 . . . . 59 ARG CA . 15304 1 186 . 1 1 17 17 ARG CB C 13 30.195 0.400 . 1 . . . . 59 ARG CB . 15304 1 187 . 1 1 17 17 ARG CD C 13 43.600 0.400 . 1 . . . . 59 ARG CD . 15304 1 188 . 1 1 17 17 ARG CG C 13 27.210 0.400 . 1 . . . . 59 ARG CG . 15304 1 189 . 1 1 17 17 ARG N N 15 122.731 0.400 . 1 . . . . 59 ARG N . 15304 1 190 . 1 1 18 18 PRO HA H 1 4.458 0.020 . 1 . . . . 60 PRO HA . 15304 1 191 . 1 1 18 18 PRO HB2 H 1 2.329 0.020 . 2 . . . . 60 PRO HB2 . 15304 1 192 . 1 1 18 18 PRO HB3 H 1 2.329 0.020 . 2 . . . . 60 PRO HB3 . 15304 1 193 . 1 1 18 18 PRO HD2 H 1 3.688 0.020 . 2 . . . . 60 PRO HD2 . 15304 1 194 . 1 1 18 18 PRO HD3 H 1 3.841 0.020 . 2 . . . . 60 PRO HD3 . 15304 1 195 . 1 1 18 18 PRO HG2 H 1 2.050 0.020 . 2 . . . . 60 PRO HG2 . 15304 1 196 . 1 1 18 18 PRO HG3 H 1 2.050 0.020 . 2 . . . . 60 PRO HG3 . 15304 1 197 . 1 1 18 18 PRO C C 13 176.892 0.400 . 1 . . . . 60 PRO C . 15304 1 198 . 1 1 18 18 PRO CA C 13 62.940 0.400 . 1 . . . . 60 PRO CA . 15304 1 199 . 1 1 18 18 PRO CB C 13 32.891 0.400 . 1 . . . . 60 PRO CB . 15304 1 200 . 1 1 18 18 PRO CD C 13 50.696 0.400 . 1 . . . . 60 PRO CD . 15304 1 201 . 1 1 18 18 PRO CG C 13 26.950 0.400 . 1 . . . . 60 PRO CG . 15304 1 202 . 1 1 19 19 GLU H H 1 8.480 0.020 . 1 . . . . 61 GLU H . 15304 1 203 . 1 1 19 19 GLU HA H 1 4.391 0.020 . 1 . . . . 61 GLU HA . 15304 1 204 . 1 1 19 19 GLU HB2 H 1 2.038 0.020 . 2 . . . . 61 GLU HB2 . 15304 1 205 . 1 1 19 19 GLU HB3 H 1 2.038 0.020 . 2 . . . . 61 GLU HB3 . 15304 1 206 . 1 1 19 19 GLU HG2 H 1 2.480 0.020 . 2 . . . . 61 GLU HG2 . 15304 1 207 . 1 1 19 19 GLU HG3 H 1 2.440 0.020 . 2 . . . . 61 GLU HG3 . 15304 1 208 . 1 1 19 19 GLU C C 13 176.174 0.400 . 1 . . . . 61 GLU C . 15304 1 209 . 1 1 19 19 GLU CA C 13 54.922 0.400 . 1 . . . . 61 GLU CA . 15304 1 210 . 1 1 19 19 GLU CB C 13 29.141 0.400 . 1 . . . . 61 GLU CB . 15304 1 211 . 1 1 19 19 GLU CG C 13 33.829 0.400 . 1 . . . . 61 GLU CG . 15304 1 212 . 1 1 19 19 GLU N N 15 120.840 0.400 . 1 . . . . 61 GLU N . 15304 1 213 . 1 1 20 20 LYS H H 1 8.502 0.020 . 1 . . . . 62 LYS H . 15304 1 214 . 1 1 20 20 LYS HA H 1 4.620 0.020 . 1 . . . . 62 LYS HA . 15304 1 215 . 1 1 20 20 LYS HB2 H 1 2.087 0.020 . 2 . . . . 62 LYS HB2 . 15304 1 216 . 1 1 20 20 LYS HB3 H 1 2.087 0.020 . 2 . . . . 62 LYS HB3 . 15304 1 217 . 1 1 20 20 LYS HD2 H 1 1.740 0.020 . 2 . . . . 62 LYS HD2 . 15304 1 218 . 1 1 20 20 LYS HD3 H 1 1.740 0.020 . 2 . . . . 62 LYS HD3 . 15304 1 219 . 1 1 20 20 LYS HE2 H 1 3.260 0.020 . 2 . . . . 62 LYS HE2 . 15304 1 220 . 1 1 20 20 LYS HE3 H 1 3.260 0.020 . 2 . . . . 62 LYS HE3 . 15304 1 221 . 1 1 20 20 LYS HG2 H 1 1.575 0.020 . 2 . . . . 62 LYS HG2 . 15304 1 222 . 1 1 20 20 LYS HG3 H 1 1.575 0.020 . 2 . . . . 62 LYS HG3 . 15304 1 223 . 1 1 20 20 LYS C C 13 171.420 0.400 . 1 . . . . 62 LYS C . 15304 1 224 . 1 1 20 20 LYS CA C 13 54.827 0.400 . 1 . . . . 62 LYS CA . 15304 1 225 . 1 1 20 20 LYS CB C 13 32.422 0.400 . 1 . . . . 62 LYS CB . 15304 1 226 . 1 1 20 20 LYS CD C 13 27.210 0.400 . 1 . . . . 62 LYS CD . 15304 1 227 . 1 1 20 20 LYS CE C 13 43.600 0.400 . 1 . . . . 62 LYS CE . 15304 1 228 . 1 1 20 20 LYS CG C 13 24.922 0.400 . 1 . . . . 62 LYS CG . 15304 1 229 . 1 1 20 20 LYS N N 15 125.117 0.400 . 1 . . . . 62 LYS N . 15304 1 230 . 1 1 21 21 PRO HA H 1 4.448 0.020 . 1 . . . . 63 PRO HA . 15304 1 231 . 1 1 21 21 PRO HB2 H 1 2.319 0.020 . 2 . . . . 63 PRO HB2 . 15304 1 232 . 1 1 21 21 PRO HB3 H 1 2.319 0.020 . 2 . . . . 63 PRO HB3 . 15304 1 233 . 1 1 21 21 PRO HD2 H 1 3.672 0.020 . 2 . . . . 63 PRO HD2 . 15304 1 234 . 1 1 21 21 PRO HD3 H 1 3.709 0.020 . 2 . . . . 63 PRO HD3 . 15304 1 235 . 1 1 21 21 PRO HG2 H 1 2.032 0.020 . 2 . . . . 63 PRO HG2 . 15304 1 236 . 1 1 21 21 PRO HG3 H 1 2.032 0.020 . 2 . . . . 63 PRO HG3 . 15304 1 237 . 1 1 21 21 PRO CA C 13 62.261 0.400 . 1 . . . . 63 PRO CA . 15304 1 238 . 1 1 21 21 PRO CB C 13 32.422 0.400 . 1 . . . . 63 PRO CB . 15304 1 239 . 1 1 21 21 PRO CD C 13 51.641 0.400 . 1 . . . . 63 PRO CD . 15304 1 240 . 1 1 21 21 PRO CG C 13 26.751 0.400 . 1 . . . . 63 PRO CG . 15304 1 241 . 1 1 22 22 VAL H H 1 8.570 0.020 . 1 . . . . 64 VAL H . 15304 1 242 . 1 1 22 22 VAL HA H 1 4.097 0.020 . 1 . . . . 64 VAL HA . 15304 1 243 . 1 1 22 22 VAL HB H 1 1.915 0.020 . 1 . . . . 64 VAL HB . 15304 1 244 . 1 1 22 22 VAL HG11 H 1 0.860 0.020 . 1 . . . . 64 VAL HG1 . 15304 1 245 . 1 1 22 22 VAL HG12 H 1 0.860 0.020 . 1 . . . . 64 VAL HG1 . 15304 1 246 . 1 1 22 22 VAL HG13 H 1 0.860 0.020 . 1 . . . . 64 VAL HG1 . 15304 1 247 . 1 1 22 22 VAL HG21 H 1 0.860 0.020 . 1 . . . . 64 VAL HG2 . 15304 1 248 . 1 1 22 22 VAL HG22 H 1 0.860 0.020 . 1 . . . . 64 VAL HG2 . 15304 1 249 . 1 1 22 22 VAL HG23 H 1 0.860 0.020 . 1 . . . . 64 VAL HG2 . 15304 1 250 . 1 1 22 22 VAL C C 13 173.862 0.400 . 1 . . . . 64 VAL C . 15304 1 251 . 1 1 22 22 VAL CA C 13 61.000 0.400 . 1 . . . . 64 VAL CA . 15304 1 252 . 1 1 22 22 VAL CB C 13 33.770 0.400 . 1 . . . . 64 VAL CB . 15304 1 253 . 1 1 22 22 VAL CG1 C 13 21.641 0.400 . 1 . . . . 64 VAL CG1 . 15304 1 254 . 1 1 22 22 VAL CG2 C 13 21.641 0.400 . 1 . . . . 64 VAL CG2 . 15304 1 255 . 1 1 22 22 VAL N N 15 120.453 0.400 . 1 . . . . 64 VAL N . 15304 1 256 . 1 1 23 23 TYR H H 1 8.600 0.020 . 1 . . . . 65 TYR H . 15304 1 257 . 1 1 23 23 TYR HA H 1 5.207 0.020 . 1 . . . . 65 TYR HA . 15304 1 258 . 1 1 23 23 TYR HB2 H 1 2.820 0.020 . 2 . . . . 65 TYR HB2 . 15304 1 259 . 1 1 23 23 TYR HB3 H 1 2.820 0.020 . 2 . . . . 65 TYR HB3 . 15304 1 260 . 1 1 23 23 TYR HD1 H 1 7.040 0.020 . 1 . . . . 65 TYR HD1 . 15304 1 261 . 1 1 23 23 TYR HD2 H 1 7.040 0.020 . 1 . . . . 65 TYR HD2 . 15304 1 262 . 1 1 23 23 TYR HE1 H 1 6.540 0.020 . 1 . . . . 65 TYR HE1 . 15304 1 263 . 1 1 23 23 TYR HE2 H 1 6.540 0.020 . 1 . . . . 65 TYR HE2 . 15304 1 264 . 1 1 23 23 TYR C C 13 174.916 0.400 . 1 . . . . 65 TYR C . 15304 1 265 . 1 1 23 23 TYR CA C 13 57.210 0.400 . 1 . . . . 65 TYR CA . 15304 1 266 . 1 1 23 23 TYR CB C 13 39.454 0.400 . 1 . . . . 65 TYR CB . 15304 1 267 . 1 1 23 23 TYR N N 15 124.580 0.400 . 1 . . . . 65 TYR N . 15304 1 268 . 1 1 24 24 LEU H H 1 9.186 0.020 . 1 . . . . 66 LEU H . 15304 1 269 . 1 1 24 24 LEU HA H 1 5.261 0.020 . 1 . . . . 66 LEU HA . 15304 1 270 . 1 1 24 24 LEU HB2 H 1 1.071 0.020 . 2 . . . . 66 LEU HB2 . 15304 1 271 . 1 1 24 24 LEU HB3 H 1 1.582 0.020 . 2 . . . . 66 LEU HB3 . 15304 1 272 . 1 1 24 24 LEU HD11 H 1 0.446 0.020 . 1 . . . . 66 LEU HD1 . 15304 1 273 . 1 1 24 24 LEU HD12 H 1 0.446 0.020 . 1 . . . . 66 LEU HD1 . 15304 1 274 . 1 1 24 24 LEU HD13 H 1 0.446 0.020 . 1 . . . . 66 LEU HD1 . 15304 1 275 . 1 1 24 24 LEU HD21 H 1 0.615 0.020 . 1 . . . . 66 LEU HD2 . 15304 1 276 . 1 1 24 24 LEU HD22 H 1 0.615 0.020 . 1 . . . . 66 LEU HD2 . 15304 1 277 . 1 1 24 24 LEU HD23 H 1 0.615 0.020 . 1 . . . . 66 LEU HD2 . 15304 1 278 . 1 1 24 24 LEU HG H 1 1.345 0.020 . 1 . . . . 66 LEU HG . 15304 1 279 . 1 1 24 24 LEU C C 13 175.491 0.400 . 1 . . . . 66 LEU C . 15304 1 280 . 1 1 24 24 LEU CA C 13 53.516 0.400 . 1 . . . . 66 LEU CA . 15304 1 281 . 1 1 24 24 LEU CB C 13 45.078 0.400 . 1 . . . . 66 LEU CB . 15304 1 282 . 1 1 24 24 LEU CD1 C 13 25.860 0.400 . 1 . . . . 66 LEU CD1 . 15304 1 283 . 1 1 24 24 LEU CD2 C 13 24.390 0.400 . 1 . . . . 66 LEU CD2 . 15304 1 284 . 1 1 24 24 LEU CG C 13 27.730 0.400 . 1 . . . . 66 LEU CG . 15304 1 285 . 1 1 24 24 LEU N N 15 128.669 0.400 . 1 . . . . 66 LEU N . 15304 1 286 . 1 1 25 25 SER H H 1 9.300 0.020 . 1 . . . . 67 SER H . 15304 1 287 . 1 1 25 25 SER HA H 1 5.637 0.020 . 1 . . . . 67 SER HA . 15304 1 288 . 1 1 25 25 SER HB2 H 1 3.808 0.020 . 2 . . . . 67 SER HB2 . 15304 1 289 . 1 1 25 25 SER HB3 H 1 3.808 0.020 . 2 . . . . 67 SER HB3 . 15304 1 290 . 1 1 25 25 SER C C 13 173.470 0.400 . 1 . . . . 67 SER C . 15304 1 291 . 1 1 25 25 SER CA C 13 56.784 0.400 . 1 . . . . 67 SER CA . 15304 1 292 . 1 1 25 25 SER CB C 13 65.267 0.400 . 1 . . . . 67 SER CB . 15304 1 293 . 1 1 25 25 SER N N 15 120.290 0.400 . 1 . . . . 67 SER N . 15304 1 294 . 1 1 26 26 VAL H H 1 8.600 0.020 . 1 . . . . 68 VAL H . 15304 1 295 . 1 1 26 26 VAL HA H 1 4.847 0.020 . 1 . . . . 68 VAL HA . 15304 1 296 . 1 1 26 26 VAL HB H 1 2.010 0.020 . 1 . . . . 68 VAL HB . 15304 1 297 . 1 1 26 26 VAL HG11 H 1 1.036 0.020 . 1 . . . . 68 VAL HG1 . 15304 1 298 . 1 1 26 26 VAL HG12 H 1 1.036 0.020 . 1 . . . . 68 VAL HG1 . 15304 1 299 . 1 1 26 26 VAL HG13 H 1 1.036 0.020 . 1 . . . . 68 VAL HG1 . 15304 1 300 . 1 1 26 26 VAL HG21 H 1 0.907 0.020 . 1 . . . . 68 VAL HG2 . 15304 1 301 . 1 1 26 26 VAL HG22 H 1 0.907 0.020 . 1 . . . . 68 VAL HG2 . 15304 1 302 . 1 1 26 26 VAL HG23 H 1 0.907 0.020 . 1 . . . . 68 VAL HG2 . 15304 1 303 . 1 1 26 26 VAL C C 13 175.205 0.400 . 1 . . . . 68 VAL C . 15304 1 304 . 1 1 26 26 VAL CA C 13 60.950 0.400 . 1 . . . . 68 VAL CA . 15304 1 305 . 1 1 26 26 VAL CB C 13 33.770 0.400 . 1 . . . . 68 VAL CB . 15304 1 306 . 1 1 26 26 VAL CG1 C 13 22.190 0.400 . 1 . . . . 68 VAL CG1 . 15304 1 307 . 1 1 26 26 VAL CG2 C 13 21.172 0.400 . 1 . . . . 68 VAL CG2 . 15304 1 308 . 1 1 26 26 VAL N N 15 123.723 0.400 . 1 . . . . 68 VAL N . 15304 1 309 . 1 1 27 27 LYS H H 1 8.760 0.020 . 1 . . . . 69 LYS H . 15304 1 310 . 1 1 27 27 LYS HA H 1 4.630 0.020 . 1 . . . . 69 LYS HA . 15304 1 311 . 1 1 27 27 LYS HB2 H 1 2.075 0.020 . 2 . . . . 69 LYS HB2 . 15304 1 312 . 1 1 27 27 LYS HB3 H 1 1.580 0.020 . 2 . . . . 69 LYS HB3 . 15304 1 313 . 1 1 27 27 LYS HD2 H 1 1.655 0.020 . 2 . . . . 69 LYS HD2 . 15304 1 314 . 1 1 27 27 LYS HD3 H 1 1.655 0.020 . 2 . . . . 69 LYS HD3 . 15304 1 315 . 1 1 27 27 LYS HE2 H 1 2.784 0.020 . 2 . . . . 69 LYS HE2 . 15304 1 316 . 1 1 27 27 LYS HE3 H 1 2.784 0.020 . 2 . . . . 69 LYS HE3 . 15304 1 317 . 1 1 27 27 LYS HG2 H 1 1.284 0.020 . 2 . . . . 69 LYS HG2 . 15304 1 318 . 1 1 27 27 LYS HG3 H 1 1.284 0.020 . 2 . . . . 69 LYS HG3 . 15304 1 319 . 1 1 27 27 LYS C C 13 176.007 0.400 . 1 . . . . 69 LYS C . 15304 1 320 . 1 1 27 27 LYS CA C 13 62.400 0.400 . 1 . . . . 69 LYS CA . 15304 1 321 . 1 1 27 27 LYS CB C 13 33.820 0.400 . 1 . . . . 69 LYS CB . 15304 1 322 . 1 1 27 27 LYS CD C 13 27.735 0.400 . 1 . . . . 69 LYS CD . 15304 1 323 . 1 1 27 27 LYS CE C 13 41.272 0.400 . 1 . . . . 69 LYS CE . 15304 1 324 . 1 1 27 27 LYS CG C 13 22.110 0.400 . 1 . . . . 69 LYS CG . 15304 1 325 . 1 1 27 27 LYS N N 15 126.000 0.400 . 1 . . . . 69 LYS N . 15304 1 326 . 1 1 28 28 ALA H H 1 8.728 0.020 . 1 . . . . 70 ALA H . 15304 1 327 . 1 1 28 28 ALA HA H 1 4.018 0.020 . 1 . . . . 70 ALA HA . 15304 1 328 . 1 1 28 28 ALA HB1 H 1 1.461 0.020 . 1 . . . . 70 ALA HB . 15304 1 329 . 1 1 28 28 ALA HB2 H 1 1.461 0.020 . 1 . . . . 70 ALA HB . 15304 1 330 . 1 1 28 28 ALA HB3 H 1 1.461 0.020 . 1 . . . . 70 ALA HB . 15304 1 331 . 1 1 28 28 ALA C C 13 177.852 0.400 . 1 . . . . 70 ALA C . 15304 1 332 . 1 1 28 28 ALA CA C 13 53.985 0.400 . 1 . . . . 70 ALA CA . 15304 1 333 . 1 1 28 28 ALA CB C 13 19.297 0.400 . 1 . . . . 70 ALA CB . 15304 1 334 . 1 1 28 28 ALA N N 15 124.480 0.400 . 1 . . . . 70 ALA N . 15304 1 335 . 1 1 29 29 ASP H H 1 8.256 0.020 . 1 . . . . 71 ASP H . 15304 1 336 . 1 1 29 29 ASP HA H 1 4.497 0.020 . 1 . . . . 71 ASP HA . 15304 1 337 . 1 1 29 29 ASP HB2 H 1 2.681 0.020 . 2 . . . . 71 ASP HB2 . 15304 1 338 . 1 1 29 29 ASP HB3 H 1 3.049 0.020 . 2 . . . . 71 ASP HB3 . 15304 1 339 . 1 1 29 29 ASP C C 13 176.455 0.400 . 1 . . . . 71 ASP C . 15304 1 340 . 1 1 29 29 ASP CA C 13 53.985 0.400 . 1 . . . . 71 ASP CA . 15304 1 341 . 1 1 29 29 ASP CB C 13 39.315 0.400 . 1 . . . . 71 ASP CB . 15304 1 342 . 1 1 29 29 ASP N N 15 118.722 0.400 . 1 . . . . 71 ASP N . 15304 1 343 . 1 1 30 30 ASN H H 1 8.380 0.020 . 1 . . . . 72 ASN H . 15304 1 344 . 1 1 30 30 ASN HA H 1 4.374 0.020 . 1 . . . . 72 ASN HA . 15304 1 345 . 1 1 30 30 ASN HB2 H 1 2.971 0.020 . 2 . . . . 72 ASN HB2 . 15304 1 346 . 1 1 30 30 ASN HB3 H 1 3.209 0.020 . 2 . . . . 72 ASN HB3 . 15304 1 347 . 1 1 30 30 ASN HD21 H 1 7.515 0.020 . 2 . . . . 72 ASN HD21 . 15304 1 348 . 1 1 30 30 ASN HD22 H 1 7.033 0.020 . 2 . . . . 72 ASN HD22 . 15304 1 349 . 1 1 30 30 ASN C C 13 174.641 0.400 . 1 . . . . 72 ASN C . 15304 1 350 . 1 1 30 30 ASN CA C 13 54.453 0.400 . 1 . . . . 72 ASN CA . 15304 1 351 . 1 1 30 30 ASN CB C 13 37.579 0.400 . 1 . . . . 72 ASN CB . 15304 1 352 . 1 1 30 30 ASN N N 15 113.000 0.400 . 1 . . . . 72 ASN N . 15304 1 353 . 1 1 31 31 SER H H 1 7.710 0.020 . 1 . . . . 73 SER H . 15304 1 354 . 1 1 31 31 SER HA H 1 4.404 0.020 . 1 . . . . 73 SER HA . 15304 1 355 . 1 1 31 31 SER HB2 H 1 3.883 0.020 . 2 . . . . 73 SER HB2 . 15304 1 356 . 1 1 31 31 SER HB3 H 1 3.889 0.020 . 2 . . . . 73 SER HB3 . 15304 1 357 . 1 1 31 31 SER C C 13 172.527 0.400 . 1 . . . . 73 SER C . 15304 1 358 . 1 1 31 31 SER CA C 13 58.672 0.400 . 1 . . . . 73 SER CA . 15304 1 359 . 1 1 31 31 SER CB C 13 63.303 0.400 . 1 . . . . 73 SER CB . 15304 1 360 . 1 1 31 31 SER N N 15 115.080 0.400 . 1 . . . . 73 SER N . 15304 1 361 . 1 1 32 32 MET H H 1 8.065 0.020 . 1 . . . . 74 MET H . 15304 1 362 . 1 1 32 32 MET HA H 1 5.573 0.020 . 1 . . . . 74 MET HA . 15304 1 363 . 1 1 32 32 MET HB2 H 1 1.727 0.020 . 2 . . . . 74 MET HB2 . 15304 1 364 . 1 1 32 32 MET HB3 H 1 1.970 0.020 . 2 . . . . 74 MET HB3 . 15304 1 365 . 1 1 32 32 MET HE1 H 1 1.918 0.020 . 1 . . . . 74 MET HE . 15304 1 366 . 1 1 32 32 MET HE2 H 1 1.918 0.020 . 1 . . . . 74 MET HE . 15304 1 367 . 1 1 32 32 MET HE3 H 1 1.918 0.020 . 1 . . . . 74 MET HE . 15304 1 368 . 1 1 32 32 MET HG2 H 1 2.328 0.020 . 2 . . . . 74 MET HG2 . 15304 1 369 . 1 1 32 32 MET HG3 H 1 2.524 0.020 . 2 . . . . 74 MET HG3 . 15304 1 370 . 1 1 32 32 MET C C 13 174.974 0.400 . 1 . . . . 74 MET C . 15304 1 371 . 1 1 32 32 MET CA C 13 54.397 0.400 . 1 . . . . 74 MET CA . 15304 1 372 . 1 1 32 32 MET CB C 13 37.579 0.400 . 1 . . . . 74 MET CB . 15304 1 373 . 1 1 32 32 MET CE C 13 16.953 0.400 . 1 . . . . 74 MET CE . 15304 1 374 . 1 1 32 32 MET CG C 13 31.954 0.400 . 1 . . . . 74 MET CG . 15304 1 375 . 1 1 32 32 MET N N 15 121.780 0.400 . 1 . . . . 74 MET N . 15304 1 376 . 1 1 33 33 PHE H H 1 8.900 0.020 . 1 . . . . 75 PHE H . 15304 1 377 . 1 1 33 33 PHE HA H 1 5.190 0.020 . 1 . . . . 75 PHE HA . 15304 1 378 . 1 1 33 33 PHE HB2 H 1 2.703 0.020 . 2 . . . . 75 PHE HB2 . 15304 1 379 . 1 1 33 33 PHE HB3 H 1 2.900 0.020 . 2 . . . . 75 PHE HB3 . 15304 1 380 . 1 1 33 33 PHE HD1 H 1 6.820 0.020 . 1 . . . . 75 PHE HD1 . 15304 1 381 . 1 1 33 33 PHE HD2 H 1 6.820 0.020 . 1 . . . . 75 PHE HD2 . 15304 1 382 . 1 1 33 33 PHE HE1 H 1 7.260 0.020 . 1 . . . . 75 PHE HE1 . 15304 1 383 . 1 1 33 33 PHE HE2 H 1 7.260 0.020 . 1 . . . . 75 PHE HE2 . 15304 1 384 . 1 1 33 33 PHE C C 13 175.228 0.400 . 1 . . . . 75 PHE C . 15304 1 385 . 1 1 33 33 PHE CA C 13 56.797 0.400 . 1 . . . . 75 PHE CA . 15304 1 386 . 1 1 33 33 PHE CB C 13 44.141 0.400 . 1 . . . . 75 PHE CB . 15304 1 387 . 1 1 33 33 PHE N N 15 118.800 0.400 . 1 . . . . 75 PHE N . 15304 1 388 . 1 1 34 34 ILE H H 1 8.830 0.020 . 1 . . . . 76 ILE H . 15304 1 389 . 1 1 34 34 ILE HA H 1 4.851 0.020 . 1 . . . . 76 ILE HA . 15304 1 390 . 1 1 34 34 ILE HB H 1 1.790 0.020 . 1 . . . . 76 ILE HB . 15304 1 391 . 1 1 34 34 ILE HD11 H 1 0.750 0.020 . 1 . . . . 76 ILE HD1 . 15304 1 392 . 1 1 34 34 ILE HD12 H 1 0.750 0.020 . 1 . . . . 76 ILE HD1 . 15304 1 393 . 1 1 34 34 ILE HD13 H 1 0.750 0.020 . 1 . . . . 76 ILE HD1 . 15304 1 394 . 1 1 34 34 ILE HG12 H 1 1.496 0.020 . 2 . . . . 76 ILE HG12 . 15304 1 395 . 1 1 34 34 ILE HG13 H 1 1.145 0.020 . 2 . . . . 76 ILE HG13 . 15304 1 396 . 1 1 34 34 ILE HG21 H 1 0.890 0.020 . 1 . . . . 76 ILE HG2 . 15304 1 397 . 1 1 34 34 ILE HG22 H 1 0.890 0.020 . 1 . . . . 76 ILE HG2 . 15304 1 398 . 1 1 34 34 ILE HG23 H 1 0.890 0.020 . 1 . . . . 76 ILE HG2 . 15304 1 399 . 1 1 34 34 ILE C C 13 177.606 0.400 . 1 . . . . 76 ILE C . 15304 1 400 . 1 1 34 34 ILE CA C 13 59.610 0.400 . 1 . . . . 76 ILE CA . 15304 1 401 . 1 1 34 34 ILE CB C 13 37.990 0.400 . 1 . . . . 76 ILE CB . 15304 1 402 . 1 1 34 34 ILE CD1 C 13 13.672 0.400 . 1 . . . . 76 ILE CD1 . 15304 1 403 . 1 1 34 34 ILE CG1 C 13 27.700 0.400 . 1 . . . . 76 ILE CG1 . 15304 1 404 . 1 1 34 34 ILE CG2 C 13 17.891 0.400 . 1 . . . . 76 ILE CG2 . 15304 1 405 . 1 1 34 34 ILE N N 15 121.330 0.400 . 1 . . . . 76 ILE N . 15304 1 406 . 1 1 35 35 GLY H H 1 9.177 0.020 . 1 . . . . 77 GLY H . 15304 1 407 . 1 1 35 35 GLY HA2 H 1 4.139 0.020 . 2 . . . . 77 GLY HA2 . 15304 1 408 . 1 1 35 35 GLY HA3 H 1 3.742 0.020 . 2 . . . . 77 GLY HA3 . 15304 1 409 . 1 1 35 35 GLY C C 13 174.757 0.400 . 1 . . . . 77 GLY C . 15304 1 410 . 1 1 35 35 GLY CA C 13 47.422 0.400 . 1 . . . . 77 GLY CA . 15304 1 411 . 1 1 35 35 GLY N N 15 118.894 0.400 . 1 . . . . 77 GLY N . 15304 1 412 . 1 1 36 36 ASN H H 1 9.170 0.020 . 1 . . . . 78 ASN H . 15304 1 413 . 1 1 36 36 ASN HA H 1 4.846 0.020 . 1 . . . . 78 ASN HA . 15304 1 414 . 1 1 36 36 ASN HB2 H 1 2.989 0.020 . 2 . . . . 78 ASN HB2 . 15304 1 415 . 1 1 36 36 ASN HB3 H 1 2.744 0.020 . 2 . . . . 78 ASN HB3 . 15304 1 416 . 1 1 36 36 ASN C C 13 174.867 0.400 . 1 . . . . 78 ASN C . 15304 1 417 . 1 1 36 36 ASN CA C 13 52.578 0.400 . 1 . . . . 78 ASN CA . 15304 1 418 . 1 1 36 36 ASN CB C 13 38.985 0.400 . 1 . . . . 78 ASN CB . 15304 1 419 . 1 1 36 36 ASN N N 15 125.494 0.400 . 1 . . . . 78 ASN N . 15304 1 420 . 1 1 37 37 ASP H H 1 8.590 0.020 . 1 . . . . 79 ASP H . 15304 1 421 . 1 1 37 37 ASP HA H 1 5.330 0.020 . 1 . . . . 79 ASP HA . 15304 1 422 . 1 1 37 37 ASP HB2 H 1 3.018 0.020 . 2 . . . . 79 ASP HB2 . 15304 1 423 . 1 1 37 37 ASP HB3 H 1 3.018 0.020 . 2 . . . . 79 ASP HB3 . 15304 1 424 . 1 1 37 37 ASP C C 13 173.009 0.400 . 1 . . . . 79 ASP C . 15304 1 425 . 1 1 37 37 ASP CA C 13 51.172 0.400 . 1 . . . . 79 ASP CA . 15304 1 426 . 1 1 37 37 ASP CB C 13 39.922 0.400 . 1 . . . . 79 ASP CB . 15304 1 427 . 1 1 37 37 ASP N N 15 121.409 0.400 . 1 . . . . 79 ASP N . 15304 1 428 . 1 1 38 38 PRO HA H 1 4.320 0.020 . 1 . . . . 80 PRO HA . 15304 1 429 . 1 1 38 38 PRO HB2 H 1 2.070 0.020 . 2 . . . . 80 PRO HB2 . 15304 1 430 . 1 1 38 38 PRO HB3 H 1 1.610 0.020 . 2 . . . . 80 PRO HB3 . 15304 1 431 . 1 1 38 38 PRO HD2 H 1 4.229 0.020 . 2 . . . . 80 PRO HD2 . 15304 1 432 . 1 1 38 38 PRO HD3 H 1 4.008 0.020 . 2 . . . . 80 PRO HD3 . 15304 1 433 . 1 1 38 38 PRO HG2 H 1 2.070 0.020 . 2 . . . . 80 PRO HG2 . 15304 1 434 . 1 1 38 38 PRO HG3 H 1 2.150 0.020 . 2 . . . . 80 PRO HG3 . 15304 1 435 . 1 1 38 38 PRO C C 13 176.862 0.400 . 1 . . . . 80 PRO C . 15304 1 436 . 1 1 38 38 PRO CA C 13 62.422 0.400 . 1 . . . . 80 PRO CA . 15304 1 437 . 1 1 38 38 PRO CB C 13 32.890 0.400 . 1 . . . . 80 PRO CB . 15304 1 438 . 1 1 38 38 PRO CD C 13 51.172 0.400 . 1 . . . . 80 PRO CD . 15304 1 439 . 1 1 38 38 PRO CG C 13 26.797 0.400 . 1 . . . . 80 PRO CG . 15304 1 440 . 1 1 39 39 VAL H H 1 8.001 0.020 . 1 . . . . 81 VAL H . 15304 1 441 . 1 1 39 39 VAL HA H 1 4.522 0.020 . 1 . . . . 81 VAL HA . 15304 1 442 . 1 1 39 39 VAL HB H 1 1.990 0.020 . 1 . . . . 81 VAL HB . 15304 1 443 . 1 1 39 39 VAL HG11 H 1 0.760 0.020 . 1 . . . . 81 VAL HG1 . 15304 1 444 . 1 1 39 39 VAL HG12 H 1 0.760 0.020 . 1 . . . . 81 VAL HG1 . 15304 1 445 . 1 1 39 39 VAL HG13 H 1 0.760 0.020 . 1 . . . . 81 VAL HG1 . 15304 1 446 . 1 1 39 39 VAL HG21 H 1 0.572 0.020 . 1 . . . . 81 VAL HG2 . 15304 1 447 . 1 1 39 39 VAL HG22 H 1 0.572 0.020 . 1 . . . . 81 VAL HG2 . 15304 1 448 . 1 1 39 39 VAL HG23 H 1 0.572 0.020 . 1 . . . . 81 VAL HG2 . 15304 1 449 . 1 1 39 39 VAL C C 13 173.912 0.400 . 1 . . . . 81 VAL C . 15304 1 450 . 1 1 39 39 VAL CA C 13 59.141 0.400 . 1 . . . . 81 VAL CA . 15304 1 451 . 1 1 39 39 VAL CB C 13 36.172 0.400 . 1 . . . . 81 VAL CB . 15304 1 452 . 1 1 39 39 VAL CG1 C 13 22.110 0.400 . 1 . . . . 81 VAL CG1 . 15304 1 453 . 1 1 39 39 VAL CG2 C 13 18.829 0.400 . 1 . . . . 81 VAL CG2 . 15304 1 454 . 1 1 39 39 VAL N N 15 115.450 0.400 . 1 . . . . 81 VAL N . 15304 1 455 . 1 1 40 40 THR H H 1 7.672 0.020 . 1 . . . . 82 THR H . 15304 1 456 . 1 1 40 40 THR HA H 1 4.746 0.020 . 1 . . . . 82 THR HA . 15304 1 457 . 1 1 40 40 THR HB H 1 4.657 0.020 . 1 . . . . 82 THR HB . 15304 1 458 . 1 1 40 40 THR HG21 H 1 1.184 0.020 . 1 . . . . 82 THR HG2 . 15304 1 459 . 1 1 40 40 THR HG22 H 1 1.184 0.020 . 1 . . . . 82 THR HG2 . 15304 1 460 . 1 1 40 40 THR HG23 H 1 1.184 0.020 . 1 . . . . 82 THR HG2 . 15304 1 461 . 1 1 40 40 THR C C 13 175.692 0.400 . 1 . . . . 82 THR C . 15304 1 462 . 1 1 40 40 THR CA C 13 59.121 0.400 . 1 . . . . 82 THR CA . 15304 1 463 . 1 1 40 40 THR CB C 13 72.735 0.400 . 1 . . . . 82 THR CB . 15304 1 464 . 1 1 40 40 THR CG2 C 13 21.173 0.400 . 1 . . . . 82 THR CG2 . 15304 1 465 . 1 1 40 40 THR N N 15 110.320 0.400 . 1 . . . . 82 THR N . 15304 1 466 . 1 1 41 41 ASP H H 1 9.370 0.020 . 1 . . . . 83 ASP H . 15304 1 467 . 1 1 41 41 ASP HA H 1 4.314 0.020 . 1 . . . . 83 ASP HA . 15304 1 468 . 1 1 41 41 ASP HB2 H 1 2.818 0.020 . 2 . . . . 83 ASP HB2 . 15304 1 469 . 1 1 41 41 ASP HB3 H 1 2.818 0.020 . 2 . . . . 83 ASP HB3 . 15304 1 470 . 1 1 41 41 ASP C C 13 176.943 0.400 . 1 . . . . 83 ASP C . 15304 1 471 . 1 1 41 41 ASP CA C 13 56.797 0.400 . 1 . . . . 83 ASP CA . 15304 1 472 . 1 1 41 41 ASP CB C 13 38.047 0.400 . 1 . . . . 83 ASP CB . 15304 1 473 . 1 1 41 41 ASP N N 15 118.710 0.400 . 1 . . . . 83 ASP N . 15304 1 474 . 1 1 42 42 GLU H H 1 8.228 0.020 . 1 . . . . 84 GLU H . 15304 1 475 . 1 1 42 42 GLU HA H 1 4.336 0.020 . 1 . . . . 84 GLU HA . 15304 1 476 . 1 1 42 42 GLU HB2 H 1 2.106 0.020 . 2 . . . . 84 GLU HB2 . 15304 1 477 . 1 1 42 42 GLU HB3 H 1 2.106 0.020 . 2 . . . . 84 GLU HB3 . 15304 1 478 . 1 1 42 42 GLU HG2 H 1 2.503 0.020 . 2 . . . . 84 GLU HG2 . 15304 1 479 . 1 1 42 42 GLU HG3 H 1 2.503 0.020 . 2 . . . . 84 GLU HG3 . 15304 1 480 . 1 1 42 42 GLU C C 13 177.827 0.400 . 1 . . . . 84 GLU C . 15304 1 481 . 1 1 42 42 GLU CA C 13 58.204 0.400 . 1 . . . . 84 GLU CA . 15304 1 482 . 1 1 42 42 GLU CB C 13 29.141 0.400 . 1 . . . . 84 GLU CB . 15304 1 483 . 1 1 42 42 GLU CG C 13 34.801 0.400 . 1 . . . . 84 GLU CG . 15304 1 484 . 1 1 42 42 GLU N N 15 115.213 0.400 . 1 . . . . 84 GLU N . 15304 1 485 . 1 1 43 43 THR H H 1 7.510 0.020 . 1 . . . . 85 THR H . 15304 1 486 . 1 1 43 43 THR HA H 1 4.664 0.020 . 1 . . . . 85 THR HA . 15304 1 487 . 1 1 43 43 THR HB H 1 4.627 0.020 . 1 . . . . 85 THR HB . 15304 1 488 . 1 1 43 43 THR HG21 H 1 1.180 0.020 . 1 . . . . 85 THR HG2 . 15304 1 489 . 1 1 43 43 THR HG22 H 1 1.180 0.020 . 1 . . . . 85 THR HG2 . 15304 1 490 . 1 1 43 43 THR HG23 H 1 1.180 0.020 . 1 . . . . 85 THR HG2 . 15304 1 491 . 1 1 43 43 THR C C 13 175.799 0.400 . 1 . . . . 85 THR C . 15304 1 492 . 1 1 43 43 THR CA C 13 61.395 0.400 . 1 . . . . 85 THR CA . 15304 1 493 . 1 1 43 43 THR CB C 13 70.391 0.400 . 1 . . . . 85 THR CB . 15304 1 494 . 1 1 43 43 THR CG2 C 13 22.157 0.400 . 1 . . . . 85 THR CG2 . 15304 1 495 . 1 1 43 43 THR N N 15 108.315 0.400 . 1 . . . . 85 THR N . 15304 1 496 . 1 1 44 44 MET H H 1 7.900 0.020 . 1 . . . . 86 MET H . 15304 1 497 . 1 1 44 44 MET HA H 1 3.820 0.020 . 1 . . . . 86 MET HA . 15304 1 498 . 1 1 44 44 MET HB2 H 1 2.120 0.020 . 2 . . . . 86 MET HB2 . 15304 1 499 . 1 1 44 44 MET HB3 H 1 2.120 0.020 . 2 . . . . 86 MET HB3 . 15304 1 500 . 1 1 44 44 MET HE1 H 1 1.973 0.020 . 1 . . . . 86 MET HE . 15304 1 501 . 1 1 44 44 MET HE2 H 1 1.973 0.020 . 1 . . . . 86 MET HE . 15304 1 502 . 1 1 44 44 MET HE3 H 1 1.973 0.020 . 1 . . . . 86 MET HE . 15304 1 503 . 1 1 44 44 MET HG2 H 1 2.186 0.020 . 2 . . . . 86 MET HG2 . 15304 1 504 . 1 1 44 44 MET HG3 H 1 2.287 0.020 . 2 . . . . 86 MET HG3 . 15304 1 505 . 1 1 44 44 MET C C 13 176.605 0.400 . 1 . . . . 86 MET C . 15304 1 506 . 1 1 44 44 MET CA C 13 60.547 0.400 . 1 . . . . 86 MET CA . 15304 1 507 . 1 1 44 44 MET CB C 13 32.422 0.400 . 1 . . . . 86 MET CB . 15304 1 508 . 1 1 44 44 MET CE C 13 16.953 0.400 . 1 . . . . 86 MET CE . 15304 1 509 . 1 1 44 44 MET CG C 13 30.500 0.400 . 1 . . . . 86 MET CG . 15304 1 510 . 1 1 44 44 MET N N 15 121.500 0.400 . 1 . . . . 86 MET N . 15304 1 511 . 1 1 45 45 ILE H H 1 8.430 0.020 . 1 . . . . 87 ILE H . 15304 1 512 . 1 1 45 45 ILE HA H 1 3.686 0.020 . 1 . . . . 87 ILE HA . 15304 1 513 . 1 1 45 45 ILE HB H 1 2.104 0.020 . 1 . . . . 87 ILE HB . 15304 1 514 . 1 1 45 45 ILE HD11 H 1 0.760 0.020 . 1 . . . . 87 ILE HD1 . 15304 1 515 . 1 1 45 45 ILE HD12 H 1 0.760 0.020 . 1 . . . . 87 ILE HD1 . 15304 1 516 . 1 1 45 45 ILE HD13 H 1 0.760 0.020 . 1 . . . . 87 ILE HD1 . 15304 1 517 . 1 1 45 45 ILE HG12 H 1 1.520 0.020 . 2 . . . . 87 ILE HG12 . 15304 1 518 . 1 1 45 45 ILE HG13 H 1 1.520 0.020 . 2 . . . . 87 ILE HG13 . 15304 1 519 . 1 1 45 45 ILE HG21 H 1 0.993 0.020 . 1 . . . . 87 ILE HG2 . 15304 1 520 . 1 1 45 45 ILE HG22 H 1 0.993 0.020 . 1 . . . . 87 ILE HG2 . 15304 1 521 . 1 1 45 45 ILE HG23 H 1 0.993 0.020 . 1 . . . . 87 ILE HG2 . 15304 1 522 . 1 1 45 45 ILE C C 13 177.773 0.400 . 1 . . . . 87 ILE C . 15304 1 523 . 1 1 45 45 ILE CA C 13 62.934 0.400 . 1 . . . . 87 ILE CA . 15304 1 524 . 1 1 45 45 ILE CB C 13 34.766 0.400 . 1 . . . . 87 ILE CB . 15304 1 525 . 1 1 45 45 ILE CD1 C 13 10.860 0.400 . 1 . . . . 87 ILE CD1 . 15304 1 526 . 1 1 45 45 ILE CG1 C 13 27.266 0.400 . 1 . . . . 87 ILE CG1 . 15304 1 527 . 1 1 45 45 ILE CG2 C 13 17.360 0.400 . 1 . . . . 87 ILE CG2 . 15304 1 528 . 1 1 45 45 ILE N N 15 117.970 0.400 . 1 . . . . 87 ILE N . 15304 1 529 . 1 1 46 46 THR H H 1 8.070 0.020 . 1 . . . . 88 THR H . 15304 1 530 . 1 1 46 46 THR HA H 1 3.953 0.020 . 1 . . . . 88 THR HA . 15304 1 531 . 1 1 46 46 THR HB H 1 4.170 0.020 . 1 . . . . 88 THR HB . 15304 1 532 . 1 1 46 46 THR HG21 H 1 1.300 0.020 . 1 . . . . 88 THR HG2 . 15304 1 533 . 1 1 46 46 THR HG22 H 1 1.300 0.020 . 1 . . . . 88 THR HG2 . 15304 1 534 . 1 1 46 46 THR HG23 H 1 1.300 0.020 . 1 . . . . 88 THR HG2 . 15304 1 535 . 1 1 46 46 THR C C 13 177.011 0.400 . 1 . . . . 88 THR C . 15304 1 536 . 1 1 46 46 THR CA C 13 66.640 0.400 . 1 . . . . 88 THR CA . 15304 1 537 . 1 1 46 46 THR CB C 13 68.000 0.400 . 1 . . . . 88 THR CB . 15304 1 538 . 1 1 46 46 THR CG2 C 13 21.641 0.400 . 1 . . . . 88 THR CG2 . 15304 1 539 . 1 1 46 46 THR N N 15 116.920 0.400 . 1 . . . . 88 THR N . 15304 1 540 . 1 1 47 47 ALA H H 1 7.710 0.020 . 1 . . . . 89 ALA H . 15304 1 541 . 1 1 47 47 ALA HA H 1 4.240 0.020 . 1 . . . . 89 ALA HA . 15304 1 542 . 1 1 47 47 ALA HB1 H 1 1.511 0.020 . 1 . . . . 89 ALA HB . 15304 1 543 . 1 1 47 47 ALA HB2 H 1 1.511 0.020 . 1 . . . . 89 ALA HB . 15304 1 544 . 1 1 47 47 ALA HB3 H 1 1.511 0.020 . 1 . . . . 89 ALA HB . 15304 1 545 . 1 1 47 47 ALA C C 13 174.356 0.400 . 1 . . . . 89 ALA C . 15304 1 546 . 1 1 47 47 ALA CA C 13 55.094 0.400 . 1 . . . . 89 ALA CA . 15304 1 547 . 1 1 47 47 ALA CB C 13 18.828 0.400 . 1 . . . . 89 ALA CB . 15304 1 548 . 1 1 47 47 ALA N N 15 123.490 0.400 . 1 . . . . 89 ALA N . 15304 1 549 . 1 1 48 48 LEU H H 1 8.570 0.020 . 1 . . . . 90 LEU H . 15304 1 550 . 1 1 48 48 LEU HA H 1 3.445 0.020 . 1 . . . . 90 LEU HA . 15304 1 551 . 1 1 48 48 LEU HB2 H 1 1.913 0.020 . 2 . . . . 90 LEU HB2 . 15304 1 552 . 1 1 48 48 LEU HB3 H 1 1.913 0.020 . 2 . . . . 90 LEU HB3 . 15304 1 553 . 1 1 48 48 LEU HD11 H 1 0.840 0.020 . 1 . . . . 90 LEU HD1 . 15304 1 554 . 1 1 48 48 LEU HD12 H 1 0.840 0.020 . 1 . . . . 90 LEU HD1 . 15304 1 555 . 1 1 48 48 LEU HD13 H 1 0.840 0.020 . 1 . . . . 90 LEU HD1 . 15304 1 556 . 1 1 48 48 LEU HD21 H 1 0.347 0.020 . 1 . . . . 90 LEU HD2 . 15304 1 557 . 1 1 48 48 LEU HD22 H 1 0.347 0.020 . 1 . . . . 90 LEU HD2 . 15304 1 558 . 1 1 48 48 LEU HD23 H 1 0.347 0.020 . 1 . . . . 90 LEU HD2 . 15304 1 559 . 1 1 48 48 LEU HG H 1 1.373 0.020 . 1 . . . . 90 LEU HG . 15304 1 560 . 1 1 48 48 LEU C C 13 178.088 0.400 . 1 . . . . 90 LEU C . 15304 1 561 . 1 1 48 48 LEU CA C 13 67.110 0.400 . 1 . . . . 90 LEU CA . 15304 1 562 . 1 1 48 48 LEU CB C 13 31.420 0.400 . 1 . . . . 90 LEU CB . 15304 1 563 . 1 1 48 48 LEU CD1 C 13 22.991 0.400 . 1 . . . . 90 LEU CD1 . 15304 1 564 . 1 1 48 48 LEU CD2 C 13 21.641 0.400 . 1 . . . . 90 LEU CD2 . 15304 1 565 . 1 1 48 48 LEU CG C 13 26.790 0.400 . 1 . . . . 90 LEU CG . 15304 1 566 . 1 1 48 48 LEU N N 15 119.800 0.400 . 1 . . . . 90 LEU N . 15304 1 567 . 1 1 49 49 ASN H H 1 8.979 0.020 . 1 . . . . 91 ASN H . 15304 1 568 . 1 1 49 49 ASN HA H 1 4.494 0.020 . 1 . . . . 91 ASN HA . 15304 1 569 . 1 1 49 49 ASN HB2 H 1 2.700 0.020 . 2 . . . . 91 ASN HB2 . 15304 1 570 . 1 1 49 49 ASN HB3 H 1 3.040 0.020 . 2 . . . . 91 ASN HB3 . 15304 1 571 . 1 1 49 49 ASN C C 13 178.227 0.400 . 1 . . . . 91 ASN C . 15304 1 572 . 1 1 49 49 ASN CA C 13 54.397 0.400 . 1 . . . . 91 ASN CA . 15304 1 573 . 1 1 49 49 ASN CB C 13 37.578 0.400 . 1 . . . . 91 ASN CB . 15304 1 574 . 1 1 49 49 ASN N N 15 117.500 0.400 . 1 . . . . 91 ASN N . 15304 1 575 . 1 1 50 50 ALA H H 1 7.710 0.020 . 1 . . . . 92 ALA H . 15304 1 576 . 1 1 50 50 ALA HA H 1 4.232 0.020 . 1 . . . . 92 ALA HA . 15304 1 577 . 1 1 50 50 ALA HB1 H 1 1.560 0.020 . 1 . . . . 92 ALA HB . 15304 1 578 . 1 1 50 50 ALA HB2 H 1 1.560 0.020 . 1 . . . . 92 ALA HB . 15304 1 579 . 1 1 50 50 ALA HB3 H 1 1.560 0.020 . 1 . . . . 92 ALA HB . 15304 1 580 . 1 1 50 50 ALA C C 13 180.155 0.400 . 1 . . . . 92 ALA C . 15304 1 581 . 1 1 50 50 ALA CA C 13 54.886 0.400 . 1 . . . . 92 ALA CA . 15304 1 582 . 1 1 50 50 ALA CB C 13 17.962 0.400 . 1 . . . . 92 ALA CB . 15304 1 583 . 1 1 50 50 ALA N N 15 120.900 0.400 . 1 . . . . 92 ALA N . 15304 1 584 . 1 1 51 51 LEU H H 1 7.670 0.020 . 1 . . . . 93 LEU H . 15304 1 585 . 1 1 51 51 LEU HA H 1 4.340 0.020 . 1 . . . . 93 LEU HA . 15304 1 586 . 1 1 51 51 LEU HB2 H 1 1.680 0.020 . 2 . . . . 93 LEU HB2 . 15304 1 587 . 1 1 51 51 LEU HB3 H 1 1.980 0.020 . 2 . . . . 93 LEU HB3 . 15304 1 588 . 1 1 51 51 LEU HD11 H 1 0.981 0.020 . 1 . . . . 93 LEU HD1 . 15304 1 589 . 1 1 51 51 LEU HD12 H 1 0.981 0.020 . 1 . . . . 93 LEU HD1 . 15304 1 590 . 1 1 51 51 LEU HD13 H 1 0.981 0.020 . 1 . . . . 93 LEU HD1 . 15304 1 591 . 1 1 51 51 LEU HD21 H 1 0.981 0.020 . 1 . . . . 93 LEU HD2 . 15304 1 592 . 1 1 51 51 LEU HD22 H 1 0.981 0.020 . 1 . . . . 93 LEU HD2 . 15304 1 593 . 1 1 51 51 LEU HD23 H 1 0.981 0.020 . 1 . . . . 93 LEU HD2 . 15304 1 594 . 1 1 51 51 LEU HG H 1 1.879 0.020 . 1 . . . . 93 LEU HG . 15304 1 595 . 1 1 51 51 LEU C C 13 179.407 0.400 . 1 . . . . 93 LEU C . 15304 1 596 . 1 1 51 51 LEU CA C 13 56.829 0.400 . 1 . . . . 93 LEU CA . 15304 1 597 . 1 1 51 51 LEU CB C 13 42.734 0.400 . 1 . . . . 93 LEU CB . 15304 1 598 . 1 1 51 51 LEU CD1 C 13 23.985 0.400 . 1 . . . . 93 LEU CD1 . 15304 1 599 . 1 1 51 51 LEU CD2 C 13 23.985 0.400 . 1 . . . . 93 LEU CD2 . 15304 1 600 . 1 1 51 51 LEU CG C 13 27.266 0.400 . 1 . . . . 93 LEU CG . 15304 1 601 . 1 1 51 51 LEU N N 15 117.980 0.400 . 1 . . . . 93 LEU N . 15304 1 602 . 1 1 52 52 THR H H 1 8.530 0.020 . 1 . . . . 94 THR H . 15304 1 603 . 1 1 52 52 THR HA H 1 4.437 0.020 . 1 . . . . 94 THR HA . 15304 1 604 . 1 1 52 52 THR HB H 1 4.823 0.020 . 1 . . . . 94 THR HB . 15304 1 605 . 1 1 52 52 THR HG21 H 1 1.321 0.020 . 1 . . . . 94 THR HG2 . 15304 1 606 . 1 1 52 52 THR HG22 H 1 1.321 0.020 . 1 . . . . 94 THR HG2 . 15304 1 607 . 1 1 52 52 THR HG23 H 1 1.321 0.020 . 1 . . . . 94 THR HG2 . 15304 1 608 . 1 1 52 52 THR C C 13 177.112 0.400 . 1 . . . . 94 THR C . 15304 1 609 . 1 1 52 52 THR CA C 13 61.485 0.400 . 1 . . . . 94 THR CA . 15304 1 610 . 1 1 52 52 THR CB C 13 70.860 0.400 . 1 . . . . 94 THR CB . 15304 1 611 . 1 1 52 52 THR CG2 C 13 22.110 0.400 . 1 . . . . 94 THR CG2 . 15304 1 612 . 1 1 52 52 THR N N 15 107.010 0.400 . 1 . . . . 94 THR N . 15304 1 613 . 1 1 53 53 GLU H H 1 8.001 0.020 . 1 . . . . 95 GLU H . 15304 1 614 . 1 1 53 53 GLU HA H 1 4.062 0.020 . 1 . . . . 95 GLU HA . 15304 1 615 . 1 1 53 53 GLU HB2 H 1 2.363 0.020 . 2 . . . . 95 GLU HB2 . 15304 1 616 . 1 1 53 53 GLU HB3 H 1 2.363 0.020 . 2 . . . . 95 GLU HB3 . 15304 1 617 . 1 1 53 53 GLU HG2 H 1 2.424 0.020 . 2 . . . . 95 GLU HG2 . 15304 1 618 . 1 1 53 53 GLU HG3 H 1 2.424 0.020 . 2 . . . . 95 GLU HG3 . 15304 1 619 . 1 1 53 53 GLU C C 13 176.199 0.400 . 1 . . . . 95 GLU C . 15304 1 620 . 1 1 53 53 GLU CA C 13 56.797 0.400 . 1 . . . . 95 GLU CA . 15304 1 621 . 1 1 53 53 GLU CB C 13 26.346 0.400 . 1 . . . . 95 GLU CB . 15304 1 622 . 1 1 53 53 GLU CG C 13 33.829 0.400 . 1 . . . . 95 GLU CG . 15304 1 623 . 1 1 53 53 GLU N N 15 117.560 0.400 . 1 . . . . 95 GLU N . 15304 1 624 . 1 1 54 54 GLY H H 1 8.349 0.020 . 1 . . . . 96 GLY H . 15304 1 625 . 1 1 54 54 GLY HA2 H 1 4.120 0.020 . 2 . . . . 96 GLY HA2 . 15304 1 626 . 1 1 54 54 GLY HA3 H 1 3.520 0.020 . 2 . . . . 96 GLY HA3 . 15304 1 627 . 1 1 54 54 GLY C C 13 174.264 0.400 . 1 . . . . 96 GLY C . 15304 1 628 . 1 1 54 54 GLY CA C 13 44.600 0.400 . 1 . . . . 96 GLY CA . 15304 1 629 . 1 1 54 54 GLY N N 15 105.347 0.400 . 1 . . . . 96 GLY N . 15304 1 630 . 1 1 55 55 LYS H H 1 7.400 0.020 . 1 . . . . 97 LYS H . 15304 1 631 . 1 1 55 55 LYS HA H 1 4.386 0.020 . 1 . . . . 97 LYS HA . 15304 1 632 . 1 1 55 55 LYS HB2 H 1 2.125 0.020 . 2 . . . . 97 LYS HB2 . 15304 1 633 . 1 1 55 55 LYS HB3 H 1 2.008 0.020 . 2 . . . . 97 LYS HB3 . 15304 1 634 . 1 1 55 55 LYS HD2 H 1 1.779 0.020 . 2 . . . . 97 LYS HD2 . 15304 1 635 . 1 1 55 55 LYS HD3 H 1 1.779 0.020 . 2 . . . . 97 LYS HD3 . 15304 1 636 . 1 1 55 55 LYS HE2 H 1 3.053 0.020 . 2 . . . . 97 LYS HE2 . 15304 1 637 . 1 1 55 55 LYS HE3 H 1 3.053 0.020 . 2 . . . . 97 LYS HE3 . 15304 1 638 . 1 1 55 55 LYS HG2 H 1 1.588 0.020 . 2 . . . . 97 LYS HG2 . 15304 1 639 . 1 1 55 55 LYS HG3 H 1 1.588 0.020 . 2 . . . . 97 LYS HG3 . 15304 1 640 . 1 1 55 55 LYS C C 13 177.395 0.400 . 1 . . . . 97 LYS C . 15304 1 641 . 1 1 55 55 LYS CA C 13 56.797 0.400 . 1 . . . . 97 LYS CA . 15304 1 642 . 1 1 55 55 LYS CB C 13 30.522 0.400 . 1 . . . . 97 LYS CB . 15304 1 643 . 1 1 55 55 LYS CD C 13 29.061 0.400 . 1 . . . . 97 LYS CD . 15304 1 644 . 1 1 55 55 LYS CE C 13 42.266 0.400 . 1 . . . . 97 LYS CE . 15304 1 645 . 1 1 55 55 LYS CG C 13 24.453 0.400 . 1 . . . . 97 LYS CG . 15304 1 646 . 1 1 55 55 LYS N N 15 120.080 0.400 . 1 . . . . 97 LYS N . 15304 1 647 . 1 1 56 56 LYS H H 1 8.510 0.020 . 1 . . . . 98 LYS H . 15304 1 648 . 1 1 56 56 LYS HA H 1 3.940 0.020 . 1 . . . . 98 LYS HA . 15304 1 649 . 1 1 56 56 LYS HB2 H 1 1.823 0.020 . 2 . . . . 98 LYS HB2 . 15304 1 650 . 1 1 56 56 LYS HB3 H 1 1.823 0.020 . 2 . . . . 98 LYS HB3 . 15304 1 651 . 1 1 56 56 LYS HD2 H 1 1.748 0.020 . 2 . . . . 98 LYS HD2 . 15304 1 652 . 1 1 56 56 LYS HD3 H 1 1.748 0.020 . 2 . . . . 98 LYS HD3 . 15304 1 653 . 1 1 56 56 LYS HE2 H 1 3.255 0.020 . 2 . . . . 98 LYS HE2 . 15304 1 654 . 1 1 56 56 LYS HE3 H 1 3.255 0.020 . 2 . . . . 98 LYS HE3 . 15304 1 655 . 1 1 56 56 LYS HG2 H 1 1.005 0.020 . 2 . . . . 98 LYS HG2 . 15304 1 656 . 1 1 56 56 LYS HG3 H 1 1.210 0.020 . 2 . . . . 98 LYS HG3 . 15304 1 657 . 1 1 56 56 LYS C C 13 176.420 0.400 . 1 . . . . 98 LYS C . 15304 1 658 . 1 1 56 56 LYS CA C 13 56.741 0.400 . 1 . . . . 98 LYS CA . 15304 1 659 . 1 1 56 56 LYS CB C 13 30.079 0.400 . 1 . . . . 98 LYS CB . 15304 1 660 . 1 1 56 56 LYS CD C 13 26.779 0.400 . 1 . . . . 98 LYS CD . 15304 1 661 . 1 1 56 56 LYS CE C 13 42.666 0.400 . 1 . . . . 98 LYS CE . 15304 1 662 . 1 1 56 56 LYS CG C 13 24.390 0.400 . 1 . . . . 98 LYS CG . 15304 1 663 . 1 1 56 56 LYS N N 15 126.202 0.400 . 1 . . . . 98 LYS N . 15304 1 664 . 1 1 57 57 ASP H H 1 8.510 0.020 . 1 . . . . 99 ASP H . 15304 1 665 . 1 1 57 57 ASP HA H 1 4.570 0.020 . 1 . . . . 99 ASP HA . 15304 1 666 . 1 1 57 57 ASP HB2 H 1 2.671 0.020 . 2 . . . . 99 ASP HB2 . 15304 1 667 . 1 1 57 57 ASP HB3 H 1 2.862 0.020 . 2 . . . . 99 ASP HB3 . 15304 1 668 . 1 1 57 57 ASP C C 13 174.777 0.400 . 1 . . . . 99 ASP C . 15304 1 669 . 1 1 57 57 ASP CA C 13 52.991 0.400 . 1 . . . . 99 ASP CA . 15304 1 670 . 1 1 57 57 ASP CB C 13 38.516 0.400 . 1 . . . . 99 ASP CB . 15304 1 671 . 1 1 57 57 ASP N N 15 116.900 0.400 . 1 . . . . 99 ASP N . 15304 1 672 . 1 1 58 58 THR H H 1 7.400 0.020 . 1 . . . . 100 THR H . 15304 1 673 . 1 1 58 58 THR HA H 1 3.971 0.020 . 1 . . . . 100 THR HA . 15304 1 674 . 1 1 58 58 THR HB H 1 3.971 0.020 . 1 . . . . 100 THR HB . 15304 1 675 . 1 1 58 58 THR HG21 H 1 1.301 0.020 . 1 . . . . 100 THR HG2 . 15304 1 676 . 1 1 58 58 THR HG22 H 1 1.301 0.020 . 1 . . . . 100 THR HG2 . 15304 1 677 . 1 1 58 58 THR HG23 H 1 1.301 0.020 . 1 . . . . 100 THR HG2 . 15304 1 678 . 1 1 58 58 THR C C 13 172.742 0.400 . 1 . . . . 100 THR C . 15304 1 679 . 1 1 58 58 THR CA C 13 63.360 0.400 . 1 . . . . 100 THR CA . 15304 1 680 . 1 1 58 58 THR CB C 13 70.391 0.400 . 1 . . . . 100 THR CB . 15304 1 681 . 1 1 58 58 THR CG2 C 13 21.172 0.400 . 1 . . . . 100 THR CG2 . 15304 1 682 . 1 1 58 58 THR N N 15 117.350 0.400 . 1 . . . . 100 THR N . 15304 1 683 . 1 1 59 59 THR H H 1 8.414 0.020 . 1 . . . . 101 THR H . 15304 1 684 . 1 1 59 59 THR HA H 1 4.174 0.020 . 1 . . . . 101 THR HA . 15304 1 685 . 1 1 59 59 THR HB H 1 3.610 0.020 . 1 . . . . 101 THR HB . 15304 1 686 . 1 1 59 59 THR HG21 H 1 0.283 0.020 . 1 . . . . 101 THR HG2 . 15304 1 687 . 1 1 59 59 THR HG22 H 1 0.283 0.020 . 1 . . . . 101 THR HG2 . 15304 1 688 . 1 1 59 59 THR HG23 H 1 0.283 0.020 . 1 . . . . 101 THR HG2 . 15304 1 689 . 1 1 59 59 THR C C 13 172.505 0.400 . 1 . . . . 101 THR C . 15304 1 690 . 1 1 59 59 THR CA C 13 63.829 0.400 . 1 . . . . 101 THR CA . 15304 1 691 . 1 1 59 59 THR CB C 13 69.454 0.400 . 1 . . . . 101 THR CB . 15304 1 692 . 1 1 59 59 THR CG2 C 13 21.116 0.400 . 1 . . . . 101 THR CG2 . 15304 1 693 . 1 1 59 59 THR N N 15 123.260 0.400 . 1 . . . . 101 THR N . 15304 1 694 . 1 1 60 60 ILE H H 1 8.190 0.020 . 1 . . . . 102 ILE H . 15304 1 695 . 1 1 60 60 ILE HA H 1 4.399 0.020 . 1 . . . . 102 ILE HA . 15304 1 696 . 1 1 60 60 ILE HB H 1 1.860 0.020 . 1 . . . . 102 ILE HB . 15304 1 697 . 1 1 60 60 ILE HD11 H 1 0.343 0.020 . 1 . . . . 102 ILE HD1 . 15304 1 698 . 1 1 60 60 ILE HD12 H 1 0.343 0.020 . 1 . . . . 102 ILE HD1 . 15304 1 699 . 1 1 60 60 ILE HD13 H 1 0.343 0.020 . 1 . . . . 102 ILE HD1 . 15304 1 700 . 1 1 60 60 ILE HG12 H 1 1.173 0.020 . 2 . . . . 102 ILE HG12 . 15304 1 701 . 1 1 60 60 ILE HG13 H 1 1.173 0.020 . 2 . . . . 102 ILE HG13 . 15304 1 702 . 1 1 60 60 ILE HG21 H 1 0.580 0.020 . 1 . . . . 102 ILE HG2 . 15304 1 703 . 1 1 60 60 ILE HG22 H 1 0.580 0.020 . 1 . . . . 102 ILE HG2 . 15304 1 704 . 1 1 60 60 ILE HG23 H 1 0.580 0.020 . 1 . . . . 102 ILE HG2 . 15304 1 705 . 1 1 60 60 ILE C C 13 175.119 0.400 . 1 . . . . 102 ILE C . 15304 1 706 . 1 1 60 60 ILE CA C 13 58.204 0.400 . 1 . . . . 102 ILE CA . 15304 1 707 . 1 1 60 60 ILE CB C 13 38.047 0.400 . 1 . . . . 102 ILE CB . 15304 1 708 . 1 1 60 60 ILE CD1 C 13 11.797 0.400 . 1 . . . . 102 ILE CD1 . 15304 1 709 . 1 1 60 60 ILE CG1 C 13 26.329 0.400 . 1 . . . . 102 ILE CG1 . 15304 1 710 . 1 1 60 60 ILE CG2 C 13 16.940 0.400 . 1 . . . . 102 ILE CG2 . 15304 1 711 . 1 1 60 60 ILE N N 15 126.467 0.400 . 1 . . . . 102 ILE N . 15304 1 712 . 1 1 61 61 PHE H H 1 8.900 0.020 . 1 . . . . 103 PHE H . 15304 1 713 . 1 1 61 61 PHE HA H 1 5.204 0.020 . 1 . . . . 103 PHE HA . 15304 1 714 . 1 1 61 61 PHE HB2 H 1 2.498 0.020 . 2 . . . . 103 PHE HB2 . 15304 1 715 . 1 1 61 61 PHE HB3 H 1 2.783 0.020 . 2 . . . . 103 PHE HB3 . 15304 1 716 . 1 1 61 61 PHE HD1 H 1 6.780 0.020 . 1 . . . . 103 PHE HD1 . 15304 1 717 . 1 1 61 61 PHE HD2 H 1 6.780 0.020 . 1 . . . . 103 PHE HD2 . 15304 1 718 . 1 1 61 61 PHE HE1 H 1 7.240 0.020 . 1 . . . . 103 PHE HE1 . 15304 1 719 . 1 1 61 61 PHE HE2 H 1 7.240 0.020 . 1 . . . . 103 PHE HE2 . 15304 1 720 . 1 1 61 61 PHE C C 13 174.877 0.400 . 1 . . . . 103 PHE C . 15304 1 721 . 1 1 61 61 PHE CA C 13 57.266 0.400 . 1 . . . . 103 PHE CA . 15304 1 722 . 1 1 61 61 PHE CB C 13 40.860 0.400 . 1 . . . . 103 PHE CB . 15304 1 723 . 1 1 61 61 PHE N N 15 125.650 0.400 . 1 . . . . 103 PHE N . 15304 1 724 . 1 1 62 62 PHE H H 1 9.110 0.020 . 1 . . . . 104 PHE H . 15304 1 725 . 1 1 62 62 PHE HA H 1 5.590 0.020 . 1 . . . . 104 PHE HA . 15304 1 726 . 1 1 62 62 PHE HB2 H 1 2.845 0.020 . 2 . . . . 104 PHE HB2 . 15304 1 727 . 1 1 62 62 PHE HB3 H 1 3.018 0.020 . 2 . . . . 104 PHE HB3 . 15304 1 728 . 1 1 62 62 PHE HD1 H 1 7.033 0.020 . 1 . . . . 104 PHE HD1 . 15304 1 729 . 1 1 62 62 PHE HD2 H 1 7.033 0.020 . 1 . . . . 104 PHE HD2 . 15304 1 730 . 1 1 62 62 PHE HE1 H 1 6.940 0.020 . 1 . . . . 104 PHE HE1 . 15304 1 731 . 1 1 62 62 PHE HE2 H 1 6.940 0.020 . 1 . . . . 104 PHE HE2 . 15304 1 732 . 1 1 62 62 PHE C C 13 174.407 0.400 . 1 . . . . 104 PHE C . 15304 1 733 . 1 1 62 62 PHE CA C 13 54.922 0.400 . 1 . . . . 104 PHE CA . 15304 1 734 . 1 1 62 62 PHE CB C 13 41.300 0.400 . 1 . . . . 104 PHE CB . 15304 1 735 . 1 1 62 62 PHE N N 15 123.447 0.400 . 1 . . . . 104 PHE N . 15304 1 736 . 1 1 63 63 ARG H H 1 9.020 0.020 . 1 . . . . 105 ARG H . 15304 1 737 . 1 1 63 63 ARG HA H 1 4.830 0.020 . 1 . . . . 105 ARG HA . 15304 1 738 . 1 1 63 63 ARG HB2 H 1 1.855 0.020 . 2 . . . . 105 ARG HB2 . 15304 1 739 . 1 1 63 63 ARG HB3 H 1 1.855 0.020 . 2 . . . . 105 ARG HB3 . 15304 1 740 . 1 1 63 63 ARG HD2 H 1 3.138 0.020 . 2 . . . . 105 ARG HD2 . 15304 1 741 . 1 1 63 63 ARG HD3 H 1 3.138 0.020 . 2 . . . . 105 ARG HD3 . 15304 1 742 . 1 1 63 63 ARG HG2 H 1 1.650 0.020 . 2 . . . . 105 ARG HG2 . 15304 1 743 . 1 1 63 63 ARG HG3 H 1 1.650 0.020 . 2 . . . . 105 ARG HG3 . 15304 1 744 . 1 1 63 63 ARG C C 13 173.862 0.400 . 1 . . . . 105 ARG C . 15304 1 745 . 1 1 63 63 ARG CA C 13 54.453 0.400 . 1 . . . . 105 ARG CA . 15304 1 746 . 1 1 63 63 ARG CB C 13 32.422 0.400 . 1 . . . . 105 ARG CB . 15304 1 747 . 1 1 63 63 ARG CD C 13 44.141 0.400 . 1 . . . . 105 ARG CD . 15304 1 748 . 1 1 63 63 ARG CG C 13 27.266 0.400 . 1 . . . . 105 ARG CG . 15304 1 749 . 1 1 63 63 ARG N N 15 126.020 0.400 . 1 . . . . 105 ARG N . 15304 1 750 . 1 1 64 64 ALA H H 1 8.640 0.020 . 1 . . . . 106 ALA H . 15304 1 751 . 1 1 64 64 ALA HA H 1 5.223 0.020 . 1 . . . . 106 ALA HA . 15304 1 752 . 1 1 64 64 ALA HB1 H 1 1.260 0.020 . 1 . . . . 106 ALA HB . 15304 1 753 . 1 1 64 64 ALA HB2 H 1 1.260 0.020 . 1 . . . . 106 ALA HB . 15304 1 754 . 1 1 64 64 ALA HB3 H 1 1.260 0.020 . 1 . . . . 106 ALA HB . 15304 1 755 . 1 1 64 64 ALA C C 13 176.565 0.400 . 1 . . . . 106 ALA C . 15304 1 756 . 1 1 64 64 ALA CA C 13 50.235 0.400 . 1 . . . . 106 ALA CA . 15304 1 757 . 1 1 64 64 ALA CB C 13 22.110 0.400 . 1 . . . . 106 ALA CB . 15304 1 758 . 1 1 64 64 ALA N N 15 126.540 0.400 . 1 . . . . 106 ALA N . 15304 1 759 . 1 1 65 65 ASP H H 1 7.900 0.020 . 1 . . . . 107 ASP H . 15304 1 760 . 1 1 65 65 ASP HA H 1 4.685 0.020 . 1 . . . . 107 ASP HA . 15304 1 761 . 1 1 65 65 ASP HB2 H 1 2.826 0.020 . 2 . . . . 107 ASP HB2 . 15304 1 762 . 1 1 65 65 ASP HB3 H 1 2.692 0.020 . 2 . . . . 107 ASP HB3 . 15304 1 763 . 1 1 65 65 ASP C C 13 176.987 0.400 . 1 . . . . 107 ASP C . 15304 1 764 . 1 1 65 65 ASP CA C 13 54.453 0.400 . 1 . . . . 107 ASP CA . 15304 1 765 . 1 1 65 65 ASP CB C 13 42.209 0.400 . 1 . . . . 107 ASP CB . 15304 1 766 . 1 1 65 65 ASP N N 15 121.600 0.400 . 1 . . . . 107 ASP N . 15304 1 767 . 1 1 66 66 LYS H H 1 8.700 0.020 . 1 . . . . 108 LYS H . 15304 1 768 . 1 1 66 66 LYS HA H 1 4.221 0.020 . 1 . . . . 108 LYS HA . 15304 1 769 . 1 1 66 66 LYS HB2 H 1 1.987 0.020 . 2 . . . . 108 LYS HB2 . 15304 1 770 . 1 1 66 66 LYS HB3 H 1 1.987 0.020 . 2 . . . . 108 LYS HB3 . 15304 1 771 . 1 1 66 66 LYS HD2 H 1 1.930 0.020 . 2 . . . . 108 LYS HD2 . 15304 1 772 . 1 1 66 66 LYS HD3 H 1 1.930 0.020 . 2 . . . . 108 LYS HD3 . 15304 1 773 . 1 1 66 66 LYS HE2 H 1 3.006 0.020 . 2 . . . . 108 LYS HE2 . 15304 1 774 . 1 1 66 66 LYS HE3 H 1 2.865 0.020 . 2 . . . . 108 LYS HE3 . 15304 1 775 . 1 1 66 66 LYS HG2 H 1 1.539 0.020 . 2 . . . . 108 LYS HG2 . 15304 1 776 . 1 1 66 66 LYS HG3 H 1 1.539 0.020 . 2 . . . . 108 LYS HG3 . 15304 1 777 . 1 1 66 66 LYS C C 13 177.007 0.400 . 1 . . . . 108 LYS C . 15304 1 778 . 1 1 66 66 LYS CA C 13 58.682 0.400 . 1 . . . . 108 LYS CA . 15304 1 779 . 1 1 66 66 LYS CB C 13 32.422 0.400 . 1 . . . . 108 LYS CB . 15304 1 780 . 1 1 66 66 LYS CD C 13 29.192 0.400 . 1 . . . . 108 LYS CD . 15304 1 781 . 1 1 66 66 LYS CE C 13 40.850 0.400 . 1 . . . . 108 LYS CE . 15304 1 782 . 1 1 66 66 LYS CG C 13 24.922 0.400 . 1 . . . . 108 LYS CG . 15304 1 783 . 1 1 66 66 LYS N N 15 120.740 0.400 . 1 . . . . 108 LYS N . 15304 1 784 . 1 1 67 67 THR H H 1 8.035 0.020 . 1 . . . . 109 THR H . 15304 1 785 . 1 1 67 67 THR HA H 1 4.270 0.020 . 1 . . . . 109 THR HA . 15304 1 786 . 1 1 67 67 THR HB H 1 4.474 0.020 . 1 . . . . 109 THR HB . 15304 1 787 . 1 1 67 67 THR HG21 H 1 1.283 0.020 . 1 . . . . 109 THR HG2 . 15304 1 788 . 1 1 67 67 THR HG22 H 1 1.283 0.020 . 1 . . . . 109 THR HG2 . 15304 1 789 . 1 1 67 67 THR HG23 H 1 1.283 0.020 . 1 . . . . 109 THR HG2 . 15304 1 790 . 1 1 67 67 THR C C 13 175.031 0.400 . 1 . . . . 109 THR C . 15304 1 791 . 1 1 67 67 THR CA C 13 62.422 0.400 . 1 . . . . 109 THR CA . 15304 1 792 . 1 1 67 67 THR CB C 13 68.985 0.400 . 1 . . . . 109 THR CB . 15304 1 793 . 1 1 67 67 THR CG2 C 13 22.110 0.400 . 1 . . . . 109 THR CG2 . 15304 1 794 . 1 1 67 67 THR N N 15 108.086 0.400 . 1 . . . . 109 THR N . 15304 1 795 . 1 1 68 68 VAL H H 1 7.470 0.020 . 1 . . . . 110 VAL H . 15304 1 796 . 1 1 68 68 VAL HA H 1 3.960 0.020 . 1 . . . . 110 VAL HA . 15304 1 797 . 1 1 68 68 VAL HB H 1 2.026 0.020 . 1 . . . . 110 VAL HB . 15304 1 798 . 1 1 68 68 VAL HG11 H 1 0.991 0.020 . 1 . . . . 110 VAL HG1 . 15304 1 799 . 1 1 68 68 VAL HG12 H 1 0.991 0.020 . 1 . . . . 110 VAL HG1 . 15304 1 800 . 1 1 68 68 VAL HG13 H 1 0.991 0.020 . 1 . . . . 110 VAL HG1 . 15304 1 801 . 1 1 68 68 VAL HG21 H 1 0.991 0.020 . 1 . . . . 110 VAL HG2 . 15304 1 802 . 1 1 68 68 VAL HG22 H 1 0.991 0.020 . 1 . . . . 110 VAL HG2 . 15304 1 803 . 1 1 68 68 VAL HG23 H 1 0.991 0.020 . 1 . . . . 110 VAL HG2 . 15304 1 804 . 1 1 68 68 VAL C C 13 175.691 0.400 . 1 . . . . 110 VAL C . 15304 1 805 . 1 1 68 68 VAL CA C 13 63.360 0.400 . 1 . . . . 110 VAL CA . 15304 1 806 . 1 1 68 68 VAL CB C 13 32.422 0.400 . 1 . . . . 110 VAL CB . 15304 1 807 . 1 1 68 68 VAL CG1 C 13 20.703 0.400 . 1 . . . . 110 VAL CG1 . 15304 1 808 . 1 1 68 68 VAL CG2 C 13 20.703 0.400 . 1 . . . . 110 VAL CG2 . 15304 1 809 . 1 1 68 68 VAL N N 15 123.270 0.400 . 1 . . . . 110 VAL N . 15304 1 810 . 1 1 69 69 ASP H H 1 8.710 0.020 . 1 . . . . 111 ASP H . 15304 1 811 . 1 1 69 69 ASP HA H 1 4.645 0.020 . 1 . . . . 111 ASP HA . 15304 1 812 . 1 1 69 69 ASP HB2 H 1 2.935 0.020 . 2 . . . . 111 ASP HB2 . 15304 1 813 . 1 1 69 69 ASP HB3 H 1 3.072 0.020 . 2 . . . . 111 ASP HB3 . 15304 1 814 . 1 1 69 69 ASP C C 13 176.150 0.400 . 1 . . . . 111 ASP C . 15304 1 815 . 1 1 69 69 ASP CA C 13 53.989 0.400 . 1 . . . . 111 ASP CA . 15304 1 816 . 1 1 69 69 ASP CB C 13 41.328 0.400 . 1 . . . . 111 ASP CB . 15304 1 817 . 1 1 69 69 ASP N N 15 126.170 0.400 . 1 . . . . 111 ASP N . 15304 1 818 . 1 1 70 70 TYR H H 1 8.840 0.020 . 1 . . . . 112 TYR H . 15304 1 819 . 1 1 70 70 TYR HA H 1 4.056 0.020 . 1 . . . . 112 TYR HA . 15304 1 820 . 1 1 70 70 TYR HB2 H 1 3.207 0.020 . 2 . . . . 112 TYR HB2 . 15304 1 821 . 1 1 70 70 TYR HB3 H 1 2.897 0.020 . 2 . . . . 112 TYR HB3 . 15304 1 822 . 1 1 70 70 TYR HD1 H 1 7.050 0.020 . 1 . . . . 112 TYR HD1 . 15304 1 823 . 1 1 70 70 TYR HD2 H 1 7.050 0.020 . 1 . . . . 112 TYR HD2 . 15304 1 824 . 1 1 70 70 TYR HE1 H 1 6.790 0.020 . 1 . . . . 112 TYR HE1 . 15304 1 825 . 1 1 70 70 TYR HE2 H 1 6.790 0.020 . 1 . . . . 112 TYR HE2 . 15304 1 826 . 1 1 70 70 TYR C C 13 177.075 0.400 . 1 . . . . 112 TYR C . 15304 1 827 . 1 1 70 70 TYR CA C 13 61.890 0.400 . 1 . . . . 112 TYR CA . 15304 1 828 . 1 1 70 70 TYR CB C 13 38.980 0.400 . 1 . . . . 112 TYR CB . 15304 1 829 . 1 1 70 70 TYR N N 15 123.360 0.400 . 1 . . . . 112 TYR N . 15304 1 830 . 1 1 71 71 GLU H H 1 8.550 0.020 . 1 . . . . 113 GLU H . 15304 1 831 . 1 1 71 71 GLU HA H 1 3.904 0.020 . 1 . . . . 113 GLU HA . 15304 1 832 . 1 1 71 71 GLU HB2 H 1 2.058 0.020 . 2 . . . . 113 GLU HB2 . 15304 1 833 . 1 1 71 71 GLU HB3 H 1 2.058 0.020 . 2 . . . . 113 GLU HB3 . 15304 1 834 . 1 1 71 71 GLU HG2 H 1 2.527 0.020 . 2 . . . . 113 GLU HG2 . 15304 1 835 . 1 1 71 71 GLU HG3 H 1 2.527 0.020 . 2 . . . . 113 GLU HG3 . 15304 1 836 . 1 1 71 71 GLU C C 13 179.338 0.400 . 1 . . . . 113 GLU C . 15304 1 837 . 1 1 71 71 GLU CA C 13 59.610 0.400 . 1 . . . . 113 GLU CA . 15304 1 838 . 1 1 71 71 GLU CB C 13 27.765 0.400 . 1 . . . . 113 GLU CB . 15304 1 839 . 1 1 71 71 GLU CG C 13 34.766 0.400 . 1 . . . . 113 GLU CG . 15304 1 840 . 1 1 71 71 GLU N N 15 116.730 0.400 . 1 . . . . 113 GLU N . 15304 1 841 . 1 1 72 72 THR H H 1 7.780 0.020 . 1 . . . . 114 THR H . 15304 1 842 . 1 1 72 72 THR HA H 1 4.320 0.020 . 1 . . . . 114 THR HA . 15304 1 843 . 1 1 72 72 THR HB H 1 3.890 0.020 . 1 . . . . 114 THR HB . 15304 1 844 . 1 1 72 72 THR HG21 H 1 1.203 0.020 . 1 . . . . 114 THR HG2 . 15304 1 845 . 1 1 72 72 THR HG22 H 1 1.203 0.020 . 1 . . . . 114 THR HG2 . 15304 1 846 . 1 1 72 72 THR HG23 H 1 1.203 0.020 . 1 . . . . 114 THR HG2 . 15304 1 847 . 1 1 72 72 THR C C 13 175.987 0.400 . 1 . . . . 114 THR C . 15304 1 848 . 1 1 72 72 THR CA C 13 67.579 0.400 . 1 . . . . 114 THR CA . 15304 1 849 . 1 1 72 72 THR CB C 13 66.640 0.400 . 1 . . . . 114 THR CB . 15304 1 850 . 1 1 72 72 THR CG2 C 13 21.580 0.400 . 1 . . . . 114 THR CG2 . 15304 1 851 . 1 1 72 72 THR N N 15 117.340 0.400 . 1 . . . . 114 THR N . 15304 1 852 . 1 1 73 73 LEU H H 1 7.570 0.020 . 1 . . . . 115 LEU H . 15304 1 853 . 1 1 73 73 LEU HA H 1 3.838 0.020 . 1 . . . . 115 LEU HA . 15304 1 854 . 1 1 73 73 LEU HB2 H 1 1.699 0.020 . 2 . . . . 115 LEU HB2 . 15304 1 855 . 1 1 73 73 LEU HB3 H 1 1.380 0.020 . 2 . . . . 115 LEU HB3 . 15304 1 856 . 1 1 73 73 LEU HD11 H 1 0.735 0.020 . 1 . . . . 115 LEU HD1 . 15304 1 857 . 1 1 73 73 LEU HD12 H 1 0.735 0.020 . 1 . . . . 115 LEU HD1 . 15304 1 858 . 1 1 73 73 LEU HD13 H 1 0.735 0.020 . 1 . . . . 115 LEU HD1 . 15304 1 859 . 1 1 73 73 LEU HD21 H 1 0.681 0.020 . 1 . . . . 115 LEU HD2 . 15304 1 860 . 1 1 73 73 LEU HD22 H 1 0.681 0.020 . 1 . . . . 115 LEU HD2 . 15304 1 861 . 1 1 73 73 LEU HD23 H 1 0.681 0.020 . 1 . . . . 115 LEU HD2 . 15304 1 862 . 1 1 73 73 LEU HG H 1 1.398 0.020 . 1 . . . . 115 LEU HG . 15304 1 863 . 1 1 73 73 LEU C C 13 178.670 0.400 . 1 . . . . 115 LEU C . 15304 1 864 . 1 1 73 73 LEU CA C 13 58.203 0.400 . 1 . . . . 115 LEU CA . 15304 1 865 . 1 1 73 73 LEU CB C 13 40.860 0.400 . 1 . . . . 115 LEU CB . 15304 1 866 . 1 1 73 73 LEU CD1 C 13 25.335 0.400 . 1 . . . . 115 LEU CD1 . 15304 1 867 . 1 1 73 73 LEU CD2 C 13 23.980 0.400 . 1 . . . . 115 LEU CD2 . 15304 1 868 . 1 1 73 73 LEU N N 15 120.510 0.400 . 1 . . . . 115 LEU N . 15304 1 869 . 1 1 74 74 MET H H 1 8.280 0.020 . 1 . . . . 116 MET H . 15304 1 870 . 1 1 74 74 MET HA H 1 4.100 0.020 . 1 . . . . 116 MET HA . 15304 1 871 . 1 1 74 74 MET HB2 H 1 1.911 0.020 . 2 . . . . 116 MET HB2 . 15304 1 872 . 1 1 74 74 MET HB3 H 1 1.911 0.020 . 2 . . . . 116 MET HB3 . 15304 1 873 . 1 1 74 74 MET HE1 H 1 1.570 0.020 . 1 . . . . 116 MET HE . 15304 1 874 . 1 1 74 74 MET HE2 H 1 1.570 0.020 . 1 . . . . 116 MET HE . 15304 1 875 . 1 1 74 74 MET HE3 H 1 1.570 0.020 . 1 . . . . 116 MET HE . 15304 1 876 . 1 1 74 74 MET HG2 H 1 2.317 0.020 . 2 . . . . 116 MET HG2 . 15304 1 877 . 1 1 74 74 MET HG3 H 1 2.317 0.020 . 2 . . . . 116 MET HG3 . 15304 1 878 . 1 1 74 74 MET C C 13 178.503 0.400 . 1 . . . . 116 MET C . 15304 1 879 . 1 1 74 74 MET CA C 13 57.210 0.400 . 1 . . . . 116 MET CA . 15304 1 880 . 1 1 74 74 MET CB C 13 32.400 0.400 . 1 . . . . 116 MET CB . 15304 1 881 . 1 1 74 74 MET CE C 13 16.953 0.400 . 1 . . . . 116 MET CE . 15304 1 882 . 1 1 74 74 MET CG C 13 31.900 0.400 . 1 . . . . 116 MET CG . 15304 1 883 . 1 1 74 74 MET N N 15 116.240 0.400 . 1 . . . . 116 MET N . 15304 1 884 . 1 1 75 75 LYS H H 1 7.755 0.020 . 1 . . . . 117 LYS H . 15304 1 885 . 1 1 75 75 LYS HA H 1 4.146 0.020 . 1 . . . . 117 LYS HA . 15304 1 886 . 1 1 75 75 LYS HB2 H 1 2.008 0.020 . 2 . . . . 117 LYS HB2 . 15304 1 887 . 1 1 75 75 LYS HB3 H 1 2.008 0.020 . 2 . . . . 117 LYS HB3 . 15304 1 888 . 1 1 75 75 LYS HD2 H 1 1.787 0.020 . 2 . . . . 117 LYS HD2 . 15304 1 889 . 1 1 75 75 LYS HD3 H 1 1.787 0.020 . 2 . . . . 117 LYS HD3 . 15304 1 890 . 1 1 75 75 LYS HE2 H 1 3.047 0.020 . 2 . . . . 117 LYS HE2 . 15304 1 891 . 1 1 75 75 LYS HE3 H 1 3.047 0.020 . 2 . . . . 117 LYS HE3 . 15304 1 892 . 1 1 75 75 LYS HG2 H 1 1.586 0.020 . 2 . . . . 117 LYS HG2 . 15304 1 893 . 1 1 75 75 LYS HG3 H 1 1.586 0.020 . 2 . . . . 117 LYS HG3 . 15304 1 894 . 1 1 75 75 LYS C C 13 173.559 0.400 . 1 . . . . 117 LYS C . 15304 1 895 . 1 1 75 75 LYS CA C 13 59.610 0.400 . 1 . . . . 117 LYS CA . 15304 1 896 . 1 1 75 75 LYS CB C 13 31.495 0.400 . 1 . . . . 117 LYS CB . 15304 1 897 . 1 1 75 75 LYS CD C 13 28.600 0.400 . 1 . . . . 117 LYS CD . 15304 1 898 . 1 1 75 75 LYS CE C 13 37.453 0.400 . 1 . . . . 117 LYS CE . 15304 1 899 . 1 1 75 75 LYS CG C 13 24.877 0.400 . 1 . . . . 117 LYS CG . 15304 1 900 . 1 1 75 75 LYS N N 15 120.230 0.400 . 1 . . . . 117 LYS N . 15304 1 901 . 1 1 76 76 VAL H H 1 7.880 0.020 . 1 . . . . 118 VAL H . 15304 1 902 . 1 1 76 76 VAL HA H 1 3.598 0.020 . 1 . . . . 118 VAL HA . 15304 1 903 . 1 1 76 76 VAL HB H 1 2.163 0.020 . 1 . . . . 118 VAL HB . 15304 1 904 . 1 1 76 76 VAL HG11 H 1 1.050 0.020 . 1 . . . . 118 VAL HG1 . 15304 1 905 . 1 1 76 76 VAL HG12 H 1 1.050 0.020 . 1 . . . . 118 VAL HG1 . 15304 1 906 . 1 1 76 76 VAL HG13 H 1 1.050 0.020 . 1 . . . . 118 VAL HG1 . 15304 1 907 . 1 1 76 76 VAL HG21 H 1 0.677 0.020 . 1 . . . . 118 VAL HG2 . 15304 1 908 . 1 1 76 76 VAL HG22 H 1 0.677 0.020 . 1 . . . . 118 VAL HG2 . 15304 1 909 . 1 1 76 76 VAL HG23 H 1 0.677 0.020 . 1 . . . . 118 VAL HG2 . 15304 1 910 . 1 1 76 76 VAL C C 13 178.205 0.400 . 1 . . . . 118 VAL C . 15304 1 911 . 1 1 76 76 VAL CA C 13 66.641 0.400 . 1 . . . . 118 VAL CA . 15304 1 912 . 1 1 76 76 VAL CB C 13 31.485 0.400 . 1 . . . . 118 VAL CB . 15304 1 913 . 1 1 76 76 VAL CG1 C 13 22.900 0.400 . 1 . . . . 118 VAL CG1 . 15304 1 914 . 1 1 76 76 VAL CG2 C 13 22.574 0.400 . 1 . . . . 118 VAL CG2 . 15304 1 915 . 1 1 76 76 VAL N N 15 120.500 0.400 . 1 . . . . 118 VAL N . 15304 1 916 . 1 1 77 77 MET H H 1 8.262 0.020 . 1 . . . . 119 MET H . 15304 1 917 . 1 1 77 77 MET HA H 1 3.904 0.020 . 1 . . . . 119 MET HA . 15304 1 918 . 1 1 77 77 MET HB2 H 1 2.010 0.020 . 2 . . . . 119 MET HB2 . 15304 1 919 . 1 1 77 77 MET HB3 H 1 2.010 0.020 . 2 . . . . 119 MET HB3 . 15304 1 920 . 1 1 77 77 MET HE1 H 1 1.770 0.020 . 1 . . . . 119 MET HE . 15304 1 921 . 1 1 77 77 MET HE2 H 1 1.770 0.020 . 1 . . . . 119 MET HE . 15304 1 922 . 1 1 77 77 MET HE3 H 1 1.770 0.020 . 1 . . . . 119 MET HE . 15304 1 923 . 1 1 77 77 MET HG2 H 1 2.530 0.020 . 2 . . . . 119 MET HG2 . 15304 1 924 . 1 1 77 77 MET HG3 H 1 2.530 0.020 . 2 . . . . 119 MET HG3 . 15304 1 925 . 1 1 77 77 MET C C 13 178.200 0.400 . 1 . . . . 119 MET C . 15304 1 926 . 1 1 77 77 MET CA C 13 59.610 0.400 . 1 . . . . 119 MET CA . 15304 1 927 . 1 1 77 77 MET CB C 13 32.422 0.400 . 1 . . . . 119 MET CB . 15304 1 928 . 1 1 77 77 MET CE C 13 16.906 0.400 . 1 . . . . 119 MET CE . 15304 1 929 . 1 1 77 77 MET CG C 13 35.230 0.400 . 1 . . . . 119 MET CG . 15304 1 930 . 1 1 77 77 MET N N 15 118.320 0.400 . 1 . . . . 119 MET N . 15304 1 931 . 1 1 78 78 ASP H H 1 8.720 0.020 . 1 . . . . 120 ASP H . 15304 1 932 . 1 1 78 78 ASP HA H 1 4.400 0.020 . 1 . . . . 120 ASP HA . 15304 1 933 . 1 1 78 78 ASP HB2 H 1 2.988 0.020 . 2 . . . . 120 ASP HB2 . 15304 1 934 . 1 1 78 78 ASP HB3 H 1 2.818 0.020 . 2 . . . . 120 ASP HB3 . 15304 1 935 . 1 1 78 78 ASP C C 13 178.216 0.400 . 1 . . . . 120 ASP C . 15304 1 936 . 1 1 78 78 ASP CA C 13 56.797 0.400 . 1 . . . . 120 ASP CA . 15304 1 937 . 1 1 78 78 ASP CB C 13 38.980 0.400 . 1 . . . . 120 ASP CB . 15304 1 938 . 1 1 78 78 ASP N N 15 117.800 0.400 . 1 . . . . 120 ASP N . 15304 1 939 . 1 1 79 79 THR H H 1 8.040 0.020 . 1 . . . . 121 THR H . 15304 1 940 . 1 1 79 79 THR HA H 1 3.939 0.020 . 1 . . . . 121 THR HA . 15304 1 941 . 1 1 79 79 THR HB H 1 4.382 0.020 . 1 . . . . 121 THR HB . 15304 1 942 . 1 1 79 79 THR HG21 H 1 1.290 0.020 . 1 . . . . 121 THR HG2 . 15304 1 943 . 1 1 79 79 THR HG22 H 1 1.290 0.020 . 1 . . . . 121 THR HG2 . 15304 1 944 . 1 1 79 79 THR HG23 H 1 1.290 0.020 . 1 . . . . 121 THR HG2 . 15304 1 945 . 1 1 79 79 THR C C 13 176.582 0.400 . 1 . . . . 121 THR C . 15304 1 946 . 1 1 79 79 THR CA C 13 66.641 0.400 . 1 . . . . 121 THR CA . 15304 1 947 . 1 1 79 79 THR CB C 13 68.516 0.400 . 1 . . . . 121 THR CB . 15304 1 948 . 1 1 79 79 THR CG2 C 13 22.100 0.400 . 1 . . . . 121 THR CG2 . 15304 1 949 . 1 1 79 79 THR N N 15 118.470 0.400 . 1 . . . . 121 THR N . 15304 1 950 . 1 1 80 80 LEU H H 1 7.931 0.020 . 1 . . . . 122 LEU H . 15304 1 951 . 1 1 80 80 LEU HA H 1 4.136 0.020 . 1 . . . . 122 LEU HA . 15304 1 952 . 1 1 80 80 LEU HB2 H 1 1.989 0.020 . 2 . . . . 122 LEU HB2 . 15304 1 953 . 1 1 80 80 LEU HB3 H 1 1.989 0.020 . 2 . . . . 122 LEU HB3 . 15304 1 954 . 1 1 80 80 LEU HD11 H 1 0.626 0.020 . 1 . . . . 122 LEU HD1 . 15304 1 955 . 1 1 80 80 LEU HD12 H 1 0.626 0.020 . 1 . . . . 122 LEU HD1 . 15304 1 956 . 1 1 80 80 LEU HD13 H 1 0.626 0.020 . 1 . . . . 122 LEU HD1 . 15304 1 957 . 1 1 80 80 LEU HD21 H 1 0.730 0.020 . 1 . . . . 122 LEU HD2 . 15304 1 958 . 1 1 80 80 LEU HD22 H 1 0.730 0.020 . 1 . . . . 122 LEU HD2 . 15304 1 959 . 1 1 80 80 LEU HD23 H 1 0.730 0.020 . 1 . . . . 122 LEU HD2 . 15304 1 960 . 1 1 80 80 LEU HG H 1 1.630 0.020 . 1 . . . . 122 LEU HG . 15304 1 961 . 1 1 80 80 LEU C C 13 178.936 0.400 . 1 . . . . 122 LEU C . 15304 1 962 . 1 1 80 80 LEU CA C 13 58.672 0.400 . 1 . . . . 122 LEU CA . 15304 1 963 . 1 1 80 80 LEU CB C 13 41.328 0.400 . 1 . . . . 122 LEU CB . 15304 1 964 . 1 1 80 80 LEU CD1 C 13 22.170 0.400 . 1 . . . . 122 LEU CD1 . 15304 1 965 . 1 1 80 80 LEU CD2 C 13 22.170 0.400 . 1 . . . . 122 LEU CD2 . 15304 1 966 . 1 1 80 80 LEU CG C 13 25.330 0.400 . 1 . . . . 122 LEU CG . 15304 1 967 . 1 1 80 80 LEU N N 15 121.676 0.400 . 1 . . . . 122 LEU N . 15304 1 968 . 1 1 81 81 HIS H H 1 8.825 0.020 . 1 . . . . 123 HIS H . 15304 1 969 . 1 1 81 81 HIS HA H 1 4.455 0.020 . 1 . . . . 123 HIS HA . 15304 1 970 . 1 1 81 81 HIS HB2 H 1 3.334 0.020 . 2 . . . . 123 HIS HB2 . 15304 1 971 . 1 1 81 81 HIS HB3 H 1 3.512 0.020 . 2 . . . . 123 HIS HB3 . 15304 1 972 . 1 1 81 81 HIS HD2 H 1 7.770 0.020 . 1 . . . . 123 HIS HD2 . 15304 1 973 . 1 1 81 81 HIS HE1 H 1 7.960 0.020 . 1 . . . . 123 HIS HE1 . 15304 1 974 . 1 1 81 81 HIS C C 13 179.780 0.400 . 1 . . . . 123 HIS C . 15304 1 975 . 1 1 81 81 HIS CA C 13 57.732 0.400 . 1 . . . . 123 HIS CA . 15304 1 976 . 1 1 81 81 HIS CB C 13 28.672 0.400 . 1 . . . . 123 HIS CB . 15304 1 977 . 1 1 81 81 HIS N N 15 117.910 0.400 . 1 . . . . 123 HIS N . 15304 1 978 . 1 1 82 82 GLN H H 1 8.740 0.020 . 1 . . . . 124 GLN H . 15304 1 979 . 1 1 82 82 GLN HA H 1 4.092 0.020 . 1 . . . . 124 GLN HA . 15304 1 980 . 1 1 82 82 GLN HB2 H 1 2.257 0.020 . 2 . . . . 124 GLN HB2 . 15304 1 981 . 1 1 82 82 GLN HB3 H 1 2.257 0.020 . 2 . . . . 124 GLN HB3 . 15304 1 982 . 1 1 82 82 GLN HG2 H 1 2.537 0.020 . 2 . . . . 124 GLN HG2 . 15304 1 983 . 1 1 82 82 GLN HG3 H 1 2.632 0.020 . 2 . . . . 124 GLN HG3 . 15304 1 984 . 1 1 82 82 GLN C C 13 177.091 0.400 . 1 . . . . 124 GLN C . 15304 1 985 . 1 1 82 82 GLN CA C 13 58.672 0.400 . 1 . . . . 124 GLN CA . 15304 1 986 . 1 1 82 82 GLN CB C 13 28.204 0.400 . 1 . . . . 124 GLN CB . 15304 1 987 . 1 1 82 82 GLN CG C 13 33.770 0.400 . 1 . . . . 124 GLN CG . 15304 1 988 . 1 1 82 82 GLN N N 15 120.420 0.400 . 1 . . . . 124 GLN N . 15304 1 989 . 1 1 83 83 ALA H H 1 7.330 0.020 . 1 . . . . 125 ALA H . 15304 1 990 . 1 1 83 83 ALA HA H 1 4.495 0.020 . 1 . . . . 125 ALA HA . 15304 1 991 . 1 1 83 83 ALA HB1 H 1 1.810 0.020 . 1 . . . . 125 ALA HB . 15304 1 992 . 1 1 83 83 ALA HB2 H 1 1.810 0.020 . 1 . . . . 125 ALA HB . 15304 1 993 . 1 1 83 83 ALA HB3 H 1 1.810 0.020 . 1 . . . . 125 ALA HB . 15304 1 994 . 1 1 83 83 ALA C C 13 176.371 0.400 . 1 . . . . 125 ALA C . 15304 1 995 . 1 1 83 83 ALA CA C 13 52.110 0.400 . 1 . . . . 125 ALA CA . 15304 1 996 . 1 1 83 83 ALA CB C 13 19.756 0.400 . 1 . . . . 125 ALA CB . 15304 1 997 . 1 1 83 83 ALA N N 15 119.130 0.400 . 1 . . . . 125 ALA N . 15304 1 998 . 1 1 84 84 GLY H H 1 7.780 0.020 . 1 . . . . 126 GLY H . 15304 1 999 . 1 1 84 84 GLY HA2 H 1 4.111 0.020 . 2 . . . . 126 GLY HA2 . 15304 1 1000 . 1 1 84 84 GLY HA3 H 1 3.505 0.020 . 2 . . . . 126 GLY HA3 . 15304 1 1001 . 1 1 84 84 GLY C C 13 173.562 0.400 . 1 . . . . 126 GLY C . 15304 1 1002 . 1 1 84 84 GLY CA C 13 44.610 0.400 . 1 . . . . 126 GLY CA . 15304 1 1003 . 1 1 84 84 GLY N N 15 104.120 0.400 . 1 . . . . 126 GLY N . 15304 1 1004 . 1 1 85 85 TYR H H 1 7.910 0.020 . 1 . . . . 127 TYR H . 15304 1 1005 . 1 1 85 85 TYR HA H 1 4.551 0.020 . 1 . . . . 127 TYR HA . 15304 1 1006 . 1 1 85 85 TYR HB2 H 1 3.002 0.020 . 2 . . . . 127 TYR HB2 . 15304 1 1007 . 1 1 85 85 TYR HB3 H 1 2.680 0.020 . 2 . . . . 127 TYR HB3 . 15304 1 1008 . 1 1 85 85 TYR HD1 H 1 7.180 0.020 . 1 . . . . 127 TYR HD1 . 15304 1 1009 . 1 1 85 85 TYR HD2 H 1 7.180 0.020 . 1 . . . . 127 TYR HD2 . 15304 1 1010 . 1 1 85 85 TYR HE1 H 1 6.690 0.020 . 1 . . . . 127 TYR HE1 . 15304 1 1011 . 1 1 85 85 TYR HE2 H 1 6.690 0.020 . 1 . . . . 127 TYR HE2 . 15304 1 1012 . 1 1 85 85 TYR C C 13 177.192 0.400 . 1 . . . . 127 TYR C . 15304 1 1013 . 1 1 85 85 TYR CA C 13 59.610 0.400 . 1 . . . . 127 TYR CA . 15304 1 1014 . 1 1 85 85 TYR CB C 13 37.110 0.400 . 1 . . . . 127 TYR CB . 15304 1 1015 . 1 1 85 85 TYR N N 15 120.310 0.400 . 1 . . . . 127 TYR N . 15304 1 1016 . 1 1 86 86 LEU H H 1 7.835 0.020 . 1 . . . . 128 LEU H . 15304 1 1017 . 1 1 86 86 LEU HA H 1 4.357 0.020 . 1 . . . . 128 LEU HA . 15304 1 1018 . 1 1 86 86 LEU HB2 H 1 1.622 0.020 . 2 . . . . 128 LEU HB2 . 15304 1 1019 . 1 1 86 86 LEU HB3 H 1 1.622 0.020 . 2 . . . . 128 LEU HB3 . 15304 1 1020 . 1 1 86 86 LEU HD11 H 1 0.658 0.020 . 1 . . . . 128 LEU HD1 . 15304 1 1021 . 1 1 86 86 LEU HD12 H 1 0.658 0.020 . 1 . . . . 128 LEU HD1 . 15304 1 1022 . 1 1 86 86 LEU HD13 H 1 0.658 0.020 . 1 . . . . 128 LEU HD1 . 15304 1 1023 . 1 1 86 86 LEU HD21 H 1 0.658 0.020 . 1 . . . . 128 LEU HD2 . 15304 1 1024 . 1 1 86 86 LEU HD22 H 1 0.658 0.020 . 1 . . . . 128 LEU HD2 . 15304 1 1025 . 1 1 86 86 LEU HD23 H 1 0.658 0.020 . 1 . . . . 128 LEU HD2 . 15304 1 1026 . 1 1 86 86 LEU HG H 1 1.620 0.020 . 1 . . . . 128 LEU HG . 15304 1 1027 . 1 1 86 86 LEU C C 13 178.503 0.400 . 1 . . . . 128 LEU C . 15304 1 1028 . 1 1 86 86 LEU CA C 13 54.456 0.400 . 1 . . . . 128 LEU CA . 15304 1 1029 . 1 1 86 86 LEU CB C 13 43.203 0.400 . 1 . . . . 128 LEU CB . 15304 1 1030 . 1 1 86 86 LEU CD1 C 13 22.578 0.400 . 1 . . . . 128 LEU CD1 . 15304 1 1031 . 1 1 86 86 LEU CD2 C 13 22.578 0.400 . 1 . . . . 128 LEU CD2 . 15304 1 1032 . 1 1 86 86 LEU CG C 13 25.860 0.400 . 1 . . . . 128 LEU CG . 15304 1 1033 . 1 1 86 86 LEU N N 15 120.100 0.400 . 1 . . . . 128 LEU N . 15304 1 1034 . 1 1 87 87 LYS H H 1 9.330 0.020 . 1 . . . . 129 LYS H . 15304 1 1035 . 1 1 87 87 LYS HA H 1 4.512 0.020 . 1 . . . . 129 LYS HA . 15304 1 1036 . 1 1 87 87 LYS HB2 H 1 1.750 0.020 . 2 . . . . 129 LYS HB2 . 15304 1 1037 . 1 1 87 87 LYS HB3 H 1 1.750 0.020 . 2 . . . . 129 LYS HB3 . 15304 1 1038 . 1 1 87 87 LYS HD2 H 1 1.632 0.020 . 2 . . . . 129 LYS HD2 . 15304 1 1039 . 1 1 87 87 LYS HD3 H 1 1.632 0.020 . 2 . . . . 129 LYS HD3 . 15304 1 1040 . 1 1 87 87 LYS HE2 H 1 2.787 0.020 . 2 . . . . 129 LYS HE2 . 15304 1 1041 . 1 1 87 87 LYS HE3 H 1 2.936 0.020 . 2 . . . . 129 LYS HE3 . 15304 1 1042 . 1 1 87 87 LYS HG2 H 1 1.290 0.020 . 2 . . . . 129 LYS HG2 . 15304 1 1043 . 1 1 87 87 LYS HG3 H 1 1.347 0.020 . 2 . . . . 129 LYS HG3 . 15304 1 1044 . 1 1 87 87 LYS C C 13 173.251 0.400 . 1 . . . . 129 LYS C . 15304 1 1045 . 1 1 87 87 LYS CA C 13 54.922 0.400 . 1 . . . . 129 LYS CA . 15304 1 1046 . 1 1 87 87 LYS CB C 13 31.000 0.400 . 1 . . . . 129 LYS CB . 15304 1 1047 . 1 1 87 87 LYS CD C 13 28.670 0.400 . 1 . . . . 129 LYS CD . 15304 1 1048 . 1 1 87 87 LYS CE C 13 42.286 0.400 . 1 . . . . 129 LYS CE . 15304 1 1049 . 1 1 87 87 LYS CG C 13 23.985 0.400 . 1 . . . . 129 LYS CG . 15304 1 1050 . 1 1 87 87 LYS N N 15 125.180 0.400 . 1 . . . . 129 LYS N . 15304 1 1051 . 1 1 88 88 ILE H H 1 7.589 0.020 . 1 . . . . 130 ILE H . 15304 1 1052 . 1 1 88 88 ILE HA H 1 5.015 0.020 . 1 . . . . 130 ILE HA . 15304 1 1053 . 1 1 88 88 ILE HB H 1 1.770 0.020 . 1 . . . . 130 ILE HB . 15304 1 1054 . 1 1 88 88 ILE HD11 H 1 0.803 0.020 . 1 . . . . 130 ILE HD1 . 15304 1 1055 . 1 1 88 88 ILE HD12 H 1 0.803 0.020 . 1 . . . . 130 ILE HD1 . 15304 1 1056 . 1 1 88 88 ILE HD13 H 1 0.803 0.020 . 1 . . . . 130 ILE HD1 . 15304 1 1057 . 1 1 88 88 ILE HG12 H 1 1.007 0.020 . 2 . . . . 130 ILE HG12 . 15304 1 1058 . 1 1 88 88 ILE HG13 H 1 1.378 0.020 . 2 . . . . 130 ILE HG13 . 15304 1 1059 . 1 1 88 88 ILE HG21 H 1 0.753 0.020 . 1 . . . . 130 ILE HG2 . 15304 1 1060 . 1 1 88 88 ILE HG22 H 1 0.753 0.020 . 1 . . . . 130 ILE HG2 . 15304 1 1061 . 1 1 88 88 ILE HG23 H 1 0.753 0.020 . 1 . . . . 130 ILE HG2 . 15304 1 1062 . 1 1 88 88 ILE C C 13 176.481 0.400 . 1 . . . . 130 ILE C . 15304 1 1063 . 1 1 88 88 ILE CA C 13 58.672 0.400 . 1 . . . . 130 ILE CA . 15304 1 1064 . 1 1 88 88 ILE CB C 13 40.391 0.400 . 1 . . . . 130 ILE CB . 15304 1 1065 . 1 1 88 88 ILE CD1 C 13 14.141 0.400 . 1 . . . . 130 ILE CD1 . 15304 1 1066 . 1 1 88 88 ILE CG1 C 13 27.266 0.400 . 1 . . . . 130 ILE CG1 . 15304 1 1067 . 1 1 88 88 ILE CG2 C 13 18.360 0.400 . 1 . . . . 130 ILE CG2 . 15304 1 1068 . 1 1 88 88 ILE N N 15 122.487 0.400 . 1 . . . . 130 ILE N . 15304 1 1069 . 1 1 89 89 GLY H H 1 8.960 0.020 . 1 . . . . 131 GLY H . 15304 1 1070 . 1 1 89 89 GLY HA2 H 1 4.543 0.020 . 2 . . . . 131 GLY HA2 . 15304 1 1071 . 1 1 89 89 GLY HA3 H 1 3.488 0.020 . 2 . . . . 131 GLY HA3 . 15304 1 1072 . 1 1 89 89 GLY C C 13 171.936 0.400 . 1 . . . . 131 GLY C . 15304 1 1073 . 1 1 89 89 GLY CA C 13 44.610 0.400 . 1 . . . . 131 GLY CA . 15304 1 1074 . 1 1 89 89 GLY N N 15 115.300 0.400 . 1 . . . . 131 GLY N . 15304 1 1075 . 1 1 90 90 LEU H H 1 8.610 0.020 . 1 . . . . 132 LEU H . 15304 1 1076 . 1 1 90 90 LEU HA H 1 5.061 0.020 . 1 . . . . 132 LEU HA . 15304 1 1077 . 1 1 90 90 LEU HB2 H 1 1.658 0.020 . 2 . . . . 132 LEU HB2 . 15304 1 1078 . 1 1 90 90 LEU HB3 H 1 1.658 0.020 . 2 . . . . 132 LEU HB3 . 15304 1 1079 . 1 1 90 90 LEU HD11 H 1 0.857 0.020 . 1 . . . . 132 LEU HD1 . 15304 1 1080 . 1 1 90 90 LEU HD12 H 1 0.857 0.020 . 1 . . . . 132 LEU HD1 . 15304 1 1081 . 1 1 90 90 LEU HD13 H 1 0.857 0.020 . 1 . . . . 132 LEU HD1 . 15304 1 1082 . 1 1 90 90 LEU HD21 H 1 0.886 0.020 . 1 . . . . 132 LEU HD2 . 15304 1 1083 . 1 1 90 90 LEU HD22 H 1 0.886 0.020 . 1 . . . . 132 LEU HD2 . 15304 1 1084 . 1 1 90 90 LEU HD23 H 1 0.886 0.020 . 1 . . . . 132 LEU HD2 . 15304 1 1085 . 1 1 90 90 LEU HG H 1 1.645 0.020 . 1 . . . . 132 LEU HG . 15304 1 1086 . 1 1 90 90 LEU C C 13 177.246 0.400 . 1 . . . . 132 LEU C . 15304 1 1087 . 1 1 90 90 LEU CA C 13 54.453 0.400 . 1 . . . . 132 LEU CA . 15304 1 1088 . 1 1 90 90 LEU CB C 13 42.735 0.400 . 1 . . . . 132 LEU CB . 15304 1 1089 . 1 1 90 90 LEU CD1 C 13 24.920 0.400 . 1 . . . . 132 LEU CD1 . 15304 1 1090 . 1 1 90 90 LEU CD2 C 13 24.920 0.400 . 1 . . . . 132 LEU CD2 . 15304 1 1091 . 1 1 90 90 LEU CG C 13 28.672 0.400 . 1 . . . . 132 LEU CG . 15304 1 1092 . 1 1 90 90 LEU N N 15 124.560 0.400 . 1 . . . . 132 LEU N . 15304 1 1093 . 1 1 91 91 VAL H H 1 8.630 0.020 . 1 . . . . 133 VAL H . 15304 1 1094 . 1 1 91 91 VAL HA H 1 4.299 0.020 . 1 . . . . 133 VAL HA . 15304 1 1095 . 1 1 91 91 VAL HB H 1 2.109 0.020 . 1 . . . . 133 VAL HB . 15304 1 1096 . 1 1 91 91 VAL HG11 H 1 0.991 0.020 . 1 . . . . 133 VAL HG1 . 15304 1 1097 . 1 1 91 91 VAL HG12 H 1 0.991 0.020 . 1 . . . . 133 VAL HG1 . 15304 1 1098 . 1 1 91 91 VAL HG13 H 1 0.991 0.020 . 1 . . . . 133 VAL HG1 . 15304 1 1099 . 1 1 91 91 VAL HG21 H 1 0.991 0.020 . 1 . . . . 133 VAL HG2 . 15304 1 1100 . 1 1 91 91 VAL HG22 H 1 0.991 0.020 . 1 . . . . 133 VAL HG2 . 15304 1 1101 . 1 1 91 91 VAL HG23 H 1 0.991 0.020 . 1 . . . . 133 VAL HG2 . 15304 1 1102 . 1 1 91 91 VAL C C 13 176.296 0.400 . 1 . . . . 133 VAL C . 15304 1 1103 . 1 1 91 91 VAL CA C 13 61.953 0.400 . 1 . . . . 133 VAL CA . 15304 1 1104 . 1 1 91 91 VAL CB C 13 33.360 0.400 . 1 . . . . 133 VAL CB . 15304 1 1105 . 1 1 91 91 VAL CG1 C 13 21.163 0.400 . 1 . . . . 133 VAL CG1 . 15304 1 1106 . 1 1 91 91 VAL CG2 C 13 21.163 0.400 . 1 . . . . 133 VAL CG2 . 15304 1 1107 . 1 1 91 91 VAL N N 15 123.280 0.400 . 1 . . . . 133 VAL N . 15304 1 1108 . 1 1 92 92 GLY H H 1 8.620 0.020 . 1 . . . . 134 GLY H . 15304 1 1109 . 1 1 92 92 GLY HA2 H 1 4.154 0.020 . 2 . . . . 134 GLY HA2 . 15304 1 1110 . 1 1 92 92 GLY HA3 H 1 4.007 0.020 . 2 . . . . 134 GLY HA3 . 15304 1 1111 . 1 1 92 92 GLY C C 13 174.157 0.400 . 1 . . . . 134 GLY C . 15304 1 1112 . 1 1 92 92 GLY CA C 13 45.097 0.400 . 1 . . . . 134 GLY CA . 15304 1 1113 . 1 1 92 92 GLY N N 15 112.500 0.400 . 1 . . . . 134 GLY N . 15304 1 1114 . 1 1 93 93 GLU H H 1 8.278 0.020 . 1 . . . . 135 GLU H . 15304 1 1115 . 1 1 93 93 GLU HA H 1 4.387 0.020 . 1 . . . . 135 GLU HA . 15304 1 1116 . 1 1 93 93 GLU HB2 H 1 2.124 0.020 . 2 . . . . 135 GLU HB2 . 15304 1 1117 . 1 1 93 93 GLU HB3 H 1 2.134 0.020 . 2 . . . . 135 GLU HB3 . 15304 1 1118 . 1 1 93 93 GLU HG2 H 1 2.419 0.020 . 2 . . . . 135 GLU HG2 . 15304 1 1119 . 1 1 93 93 GLU HG3 H 1 2.419 0.020 . 2 . . . . 135 GLU HG3 . 15304 1 1120 . 1 1 93 93 GLU C C 13 176.500 0.400 . 1 . . . . 135 GLU C . 15304 1 1121 . 1 1 93 93 GLU CA C 13 56.797 0.400 . 1 . . . . 135 GLU CA . 15304 1 1122 . 1 1 93 93 GLU CB C 13 29.141 0.400 . 1 . . . . 135 GLU CB . 15304 1 1123 . 1 1 93 93 GLU CG C 13 34.766 0.400 . 1 . . . . 135 GLU CG . 15304 1 1124 . 1 1 93 93 GLU N N 15 119.460 0.400 . 1 . . . . 135 GLU N . 15304 1 1125 . 1 1 94 94 GLU H H 1 8.680 0.020 . 1 . . . . 136 GLU H . 15304 1 1126 . 1 1 94 94 GLU HA H 1 4.387 0.020 . 1 . . . . 136 GLU HA . 15304 1 1127 . 1 1 94 94 GLU HB2 H 1 2.030 0.020 . 2 . . . . 136 GLU HB2 . 15304 1 1128 . 1 1 94 94 GLU HB3 H 1 2.030 0.020 . 2 . . . . 136 GLU HB3 . 15304 1 1129 . 1 1 94 94 GLU HG2 H 1 2.415 0.020 . 2 . . . . 136 GLU HG2 . 15304 1 1130 . 1 1 94 94 GLU HG3 H 1 2.415 0.020 . 2 . . . . 136 GLU HG3 . 15304 1 1131 . 1 1 94 94 GLU C C 13 176.970 0.400 . 1 . . . . 136 GLU C . 15304 1 1132 . 1 1 94 94 GLU CA C 13 56.797 0.400 . 1 . . . . 136 GLU CA . 15304 1 1133 . 1 1 94 94 GLU CB C 13 29.141 0.400 . 1 . . . . 136 GLU CB . 15304 1 1134 . 1 1 94 94 GLU CG C 13 34.756 0.400 . 1 . . . . 136 GLU CG . 15304 1 1135 . 1 1 94 94 GLU N N 15 121.740 0.400 . 1 . . . . 136 GLU N . 15304 1 1136 . 1 1 95 95 THR H H 1 8.221 0.020 . 1 . . . . 137 THR H . 15304 1 1137 . 1 1 95 95 THR HA H 1 4.228 0.020 . 1 . . . . 137 THR HA . 15304 1 1138 . 1 1 95 95 THR HB H 1 4.253 0.020 . 1 . . . . 137 THR HB . 15304 1 1139 . 1 1 95 95 THR HG21 H 1 1.248 0.020 . 1 . . . . 137 THR HG2 . 15304 1 1140 . 1 1 95 95 THR HG22 H 1 1.248 0.020 . 1 . . . . 137 THR HG2 . 15304 1 1141 . 1 1 95 95 THR HG23 H 1 1.248 0.020 . 1 . . . . 137 THR HG2 . 15304 1 1142 . 1 1 95 95 THR C C 13 174.880 0.400 . 1 . . . . 137 THR C . 15304 1 1143 . 1 1 95 95 THR CA C 13 62.422 0.400 . 1 . . . . 137 THR CA . 15304 1 1144 . 1 1 95 95 THR CB C 13 69.454 0.400 . 1 . . . . 137 THR CB . 15304 1 1145 . 1 1 95 95 THR CG2 C 13 21.173 0.400 . 1 . . . . 137 THR CG2 . 15304 1 1146 . 1 1 95 95 THR N N 15 115.380 0.400 . 1 . . . . 137 THR N . 15304 1 1147 . 1 1 96 96 ALA H H 1 8.311 0.020 . 1 . . . . 138 ALA H . 15304 1 1148 . 1 1 96 96 ALA HA H 1 4.233 0.020 . 1 . . . . 138 ALA HA . 15304 1 1149 . 1 1 96 96 ALA HB1 H 1 1.433 0.020 . 1 . . . . 138 ALA HB . 15304 1 1150 . 1 1 96 96 ALA HB2 H 1 1.433 0.020 . 1 . . . . 138 ALA HB . 15304 1 1151 . 1 1 96 96 ALA HB3 H 1 1.433 0.020 . 1 . . . . 138 ALA HB . 15304 1 1152 . 1 1 96 96 ALA C C 13 178.469 0.400 . 1 . . . . 138 ALA C . 15304 1 1153 . 1 1 96 96 ALA CA C 13 53.516 0.400 . 1 . . . . 138 ALA CA . 15304 1 1154 . 1 1 96 96 ALA CB C 13 18.828 0.400 . 1 . . . . 138 ALA CB . 15304 1 1155 . 1 1 96 96 ALA N N 15 125.688 0.400 . 1 . . . . 138 ALA N . 15304 1 1156 . 1 1 97 97 LYS H H 1 8.210 0.020 . 1 . . . . 139 LYS H . 15304 1 1157 . 1 1 97 97 LYS HA H 1 4.163 0.020 . 1 . . . . 139 LYS HA . 15304 1 1158 . 1 1 97 97 LYS HB2 H 1 1.806 0.020 . 2 . . . . 139 LYS HB2 . 15304 1 1159 . 1 1 97 97 LYS HB3 H 1 1.806 0.020 . 2 . . . . 139 LYS HB3 . 15304 1 1160 . 1 1 97 97 LYS HD2 H 1 1.774 0.020 . 2 . . . . 139 LYS HD2 . 15304 1 1161 . 1 1 97 97 LYS HD3 H 1 1.774 0.020 . 2 . . . . 139 LYS HD3 . 15304 1 1162 . 1 1 97 97 LYS HE2 H 1 3.041 0.020 . 2 . . . . 139 LYS HE2 . 15304 1 1163 . 1 1 97 97 LYS HE3 H 1 3.041 0.020 . 2 . . . . 139 LYS HE3 . 15304 1 1164 . 1 1 97 97 LYS HG2 H 1 1.441 0.020 . 2 . . . . 139 LYS HG2 . 15304 1 1165 . 1 1 97 97 LYS HG3 H 1 1.441 0.020 . 2 . . . . 139 LYS HG3 . 15304 1 1166 . 1 1 97 97 LYS C C 13 177.154 0.400 . 1 . . . . 139 LYS C . 15304 1 1167 . 1 1 97 97 LYS CA C 13 57.265 0.400 . 1 . . . . 139 LYS CA . 15304 1 1168 . 1 1 97 97 LYS CB C 13 32.891 0.400 . 1 . . . . 139 LYS CB . 15304 1 1169 . 1 1 97 97 LYS CD C 13 29.250 0.400 . 1 . . . . 139 LYS CD . 15304 1 1170 . 1 1 97 97 LYS CE C 13 42.117 0.400 . 1 . . . . 139 LYS CE . 15304 1 1171 . 1 1 97 97 LYS CG C 13 24.793 0.400 . 1 . . . . 139 LYS CG . 15304 1 1172 . 1 1 97 97 LYS N N 15 120.110 0.400 . 1 . . . . 139 LYS N . 15304 1 1173 . 1 1 98 98 ALA H H 1 8.170 0.020 . 1 . . . . 140 ALA H . 15304 1 1174 . 1 1 98 98 ALA HA H 1 4.209 0.020 . 1 . . . . 140 ALA HA . 15304 1 1175 . 1 1 98 98 ALA HB1 H 1 1.423 0.020 . 1 . . . . 140 ALA HB . 15304 1 1176 . 1 1 98 98 ALA HB2 H 1 1.423 0.020 . 1 . . . . 140 ALA HB . 15304 1 1177 . 1 1 98 98 ALA HB3 H 1 1.423 0.020 . 1 . . . . 140 ALA HB . 15304 1 1178 . 1 1 98 98 ALA C C 13 178.469 0.400 . 1 . . . . 140 ALA C . 15304 1 1179 . 1 1 98 98 ALA CA C 13 53.516 0.400 . 1 . . . . 140 ALA CA . 15304 1 1180 . 1 1 98 98 ALA CB C 13 18.828 0.400 . 1 . . . . 140 ALA CB . 15304 1 1181 . 1 1 98 98 ALA N N 15 124.210 0.400 . 1 . . . . 140 ALA N . 15304 1 1182 . 1 1 99 99 LYS H H 1 8.172 0.020 . 1 . . . . 141 LYS H . 15304 1 1183 . 1 1 99 99 LYS HA H 1 4.164 0.020 . 1 . . . . 141 LYS HA . 15304 1 1184 . 1 1 99 99 LYS HB2 H 1 1.805 0.020 . 2 . . . . 141 LYS HB2 . 15304 1 1185 . 1 1 99 99 LYS HB3 H 1 1.805 0.020 . 2 . . . . 141 LYS HB3 . 15304 1 1186 . 1 1 99 99 LYS HD2 H 1 1.705 0.020 . 2 . . . . 141 LYS HD2 . 15304 1 1187 . 1 1 99 99 LYS HD3 H 1 1.778 0.020 . 2 . . . . 141 LYS HD3 . 15304 1 1188 . 1 1 99 99 LYS HE2 H 1 2.972 0.020 . 2 . . . . 141 LYS HE2 . 15304 1 1189 . 1 1 99 99 LYS HE3 H 1 2.971 0.020 . 2 . . . . 141 LYS HE3 . 15304 1 1190 . 1 1 99 99 LYS HG2 H 1 1.464 0.020 . 2 . . . . 141 LYS HG2 . 15304 1 1191 . 1 1 99 99 LYS HG3 H 1 1.464 0.020 . 2 . . . . 141 LYS HG3 . 15304 1 1192 . 1 1 99 99 LYS C C 13 177.011 0.400 . 1 . . . . 141 LYS C . 15304 1 1193 . 1 1 99 99 LYS CA C 13 56.829 0.400 . 1 . . . . 141 LYS CA . 15304 1 1194 . 1 1 99 99 LYS CB C 13 32.891 0.400 . 1 . . . . 141 LYS CB . 15304 1 1195 . 1 1 99 99 LYS CD C 13 29.141 0.400 . 1 . . . . 141 LYS CD . 15304 1 1196 . 1 1 99 99 LYS CE C 13 42.260 0.400 . 1 . . . . 141 LYS CE . 15304 1 1197 . 1 1 99 99 LYS CG C 13 24.922 0.400 . 1 . . . . 141 LYS CG . 15304 1 1198 . 1 1 99 99 LYS N N 15 119.920 0.400 . 1 . . . . 141 LYS N . 15304 1 stop_ save_