data_6451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6451 _Entry.Title ; 1H, 15N and 13C resonance assigment of the chaperone CesT from enteropathogenic Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-31 _Entry.Accession_date 2004-12-31 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sigrun Rumpel . . . 6451 2 Hai-Young Kim . . . 6451 3 Vinesh Vijayan . . . 6451 4 Stefan Becker . . . 6451 5 Markus Zweckstetter . . . 6451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 6451 '15N chemical shifts' 148 6451 '1H chemical shifts' 148 6451 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 . . 2005-07-26 2004-12-31 original author . 6451 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929012 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assigment of the homodimeric, 35 kDa chaperone CesT from enteropathogenic Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 377 _Citation.Page_last 378 _Citation.Year 2005 _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 Sigrun Rumpel . . . 6451 1 2 Hai-Young Kim . . . 6451 1 3 Vinesh Vijayan . . . 6451 1 4 Stefan Becker . . . 6451 1 5 Markus Zweckstetter . . . 6451 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chaperone 6451 1 Mars 6451 1 'NMR assignment' 6451 1 'type three secretion system' 6451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CesT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CesT _Assembly.Entry_ID 6451 _Assembly.ID 1 _Assembly.Name 'CesT dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6451 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CesT subunit 1' 1 $CesT . . . native . . 1 . . 6451 1 2 'CesT subunit 2' 1 $CesT . . . native . . 1 . . 6451 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CesT abbreviation 6451 1 'CesT dimer' system 6451 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'chaperone for the type III secretion of Map' 6451 1 'chaperone for the type III secretion of Tir' 6451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CesT _Entity.Sf_category entity _Entity.Sf_framecode CesT _Entity.Entry_ID 6451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chaperone for the enteropathogenic E. coli secreted protein Tir' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSSRSELLLDRFAEKIGV GSISFNENRLCSFAIDEIYY ISLSDANDEYMMIYGVCGKF PTDNPNFALEILNANLWFAE NGGPYLCYESGAQSLLLALR FPLDDATPEKLENEIEVVVK SMENLYLVLHNQGITLENEH MKIEEISSSDNKHYYAGR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15431 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAE80445 . "CesT [Escherichia coli O127:H6]" . . . . . 98.73 156 100.00 100.00 4.91e-109 . . . . 6451 1 2 no DBJ BAE80446 . "CesT [Escherichia coli O119:UT]" . . . . . 98.73 156 100.00 100.00 4.91e-109 . . . . 6451 1 3 no DBJ BAE80447 . "CesT [Escherichia coli O157:H45]" . . . . . 98.73 156 99.36 99.36 3.62e-108 . . . . 6451 1 4 no DBJ BAE80448 . "CesT [Escherichia coli O55:H6]" . . . . . 98.73 156 99.36 99.36 3.62e-108 . . . . 6451 1 5 no DBJ BAE80449 . "CesT [Escherichia coli O153:H21]" . . . . . 98.73 156 99.36 100.00 2.12e-108 . . . . 6451 1 6 no EMBL CAA11066 . "Hypothetical protein [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 7 no EMBL CAC81870 . "CesT protein [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 8 no EMBL CAG17537 . "CesT protein [Escherichia coli]" . . . . . 98.73 156 100.00 100.00 4.91e-109 . . . . 6451 1 9 no EMBL CAI43866 . "CesT protein [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 10 no EMBL CAR47989 . "CesT protein [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 11 no GB AAA62774 . "ORF; putative [Escherichia coli]" . . . . . 98.73 156 100.00 100.00 4.91e-109 . . . . 6451 1 12 no GB AAB02942 . "hypothetical 17.7kDa protein; similar to the hypothetical 17.7kDa proteins of EPEC and REPEC (84/110/1) and the hypothetical 17" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 13 no GB AAB36673 . "OrfU [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 14 no GB AAB39867 . "unknown [Escherichia coli]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 15 no GB AAC32029 . "unknown [Escherichia coli]" . . . . . 98.73 156 98.72 100.00 7.29e-108 . . . . 6451 1 16 no REF WP_000098785 . "Tir chaperone [Escherichia coli]" . . . . . 98.73 156 98.72 99.36 1.81e-107 . . . . 6451 1 17 no REF WP_000098786 . "MULTISPECIES: Tir chaperone [Escherichia]" . . . . . 98.73 156 99.36 100.00 8.02e-109 . . . . 6451 1 18 no REF WP_000098787 . "Tir chaperone [Escherichia coli]" . . . . . 98.73 156 98.72 99.36 1.13e-107 . . . . 6451 1 19 no REF WP_000098788 . "Tir chaperone [Escherichia coli]" . . . . . 98.73 156 98.72 100.00 7.29e-108 . . . . 6451 1 20 no REF WP_000098789 . "Tir chaperone [Escherichia coli]" . . . . . 98.73 156 98.72 100.00 7.29e-108 . . . . 6451 1 21 no SP O30999 . "RecName: Full=Tir chaperone [Escherichia coli O111:H-]" . . . . . 98.73 156 99.36 100.00 2.12e-108 . . . . 6451 1 22 no SP P21244 . "RecName: Full=Tir chaperone [Escherichia coli O127:H6 str. E2348/69]" . . . . . 98.73 156 100.00 100.00 4.91e-109 . . . . 6451 1 23 no SP Q47015 . "RecName: Full=Tir chaperone [Escherichia coli]" . . . . . 98.73 156 98.72 100.00 7.29e-108 . . . . 6451 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CesT abbreviation 6451 1 'chaperone for the enteropathogenic E. coli secreted protein Tir' common 6451 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 . GLY . 6451 1 2 . HIS . 6451 1 3 . MET . 6451 1 4 . SER . 6451 1 5 . SER . 6451 1 6 . ARG . 6451 1 7 . SER . 6451 1 8 . GLU . 6451 1 9 . LEU . 6451 1 10 . LEU . 6451 1 11 . LEU . 6451 1 12 . ASP . 6451 1 13 . ARG . 6451 1 14 . PHE . 6451 1 15 . ALA . 6451 1 16 . GLU . 6451 1 17 . LYS . 6451 1 18 . ILE . 6451 1 19 . GLY . 6451 1 20 . VAL . 6451 1 21 . GLY . 6451 1 22 . SER . 6451 1 23 . ILE . 6451 1 24 . SER . 6451 1 25 . PHE . 6451 1 26 . ASN . 6451 1 27 . GLU . 6451 1 28 . ASN . 6451 1 29 . ARG . 6451 1 30 . LEU . 6451 1 31 . CYS . 6451 1 32 . SER . 6451 1 33 . PHE . 6451 1 34 . ALA . 6451 1 35 . ILE . 6451 1 36 . ASP . 6451 1 37 . GLU . 6451 1 38 . ILE . 6451 1 39 . TYR . 6451 1 40 . TYR . 6451 1 41 . ILE . 6451 1 42 . SER . 6451 1 43 . LEU . 6451 1 44 . SER . 6451 1 45 . ASP . 6451 1 46 . ALA . 6451 1 47 . ASN . 6451 1 48 . ASP . 6451 1 49 . GLU . 6451 1 50 . TYR . 6451 1 51 . MET . 6451 1 52 . MET . 6451 1 53 . ILE . 6451 1 54 . TYR . 6451 1 55 . GLY . 6451 1 56 . VAL . 6451 1 57 . CYS . 6451 1 58 . GLY . 6451 1 59 . LYS . 6451 1 60 . PHE . 6451 1 61 . PRO . 6451 1 62 . THR . 6451 1 63 . ASP . 6451 1 64 . ASN . 6451 1 65 . PRO . 6451 1 66 . ASN . 6451 1 67 . PHE . 6451 1 68 . ALA . 6451 1 69 . LEU . 6451 1 70 . GLU . 6451 1 71 . ILE . 6451 1 72 . LEU . 6451 1 73 . ASN . 6451 1 74 . ALA . 6451 1 75 . ASN . 6451 1 76 . LEU . 6451 1 77 . TRP . 6451 1 78 . PHE . 6451 1 79 . ALA . 6451 1 80 . GLU . 6451 1 81 . ASN . 6451 1 82 . GLY . 6451 1 83 . GLY . 6451 1 84 . PRO . 6451 1 85 . TYR . 6451 1 86 . LEU . 6451 1 87 . CYS . 6451 1 88 . TYR . 6451 1 89 . GLU . 6451 1 90 . SER . 6451 1 91 . GLY . 6451 1 92 . ALA . 6451 1 93 . GLN . 6451 1 94 . SER . 6451 1 95 . LEU . 6451 1 96 . LEU . 6451 1 97 . LEU . 6451 1 98 . ALA . 6451 1 99 . LEU . 6451 1 100 . ARG . 6451 1 101 . PHE . 6451 1 102 . PRO . 6451 1 103 . LEU . 6451 1 104 . ASP . 6451 1 105 . ASP . 6451 1 106 . ALA . 6451 1 107 . THR . 6451 1 108 . PRO . 6451 1 109 . GLU . 6451 1 110 . LYS . 6451 1 111 . LEU . 6451 1 112 . GLU . 6451 1 113 . ASN . 6451 1 114 . GLU . 6451 1 115 . ILE . 6451 1 116 . GLU . 6451 1 117 . VAL . 6451 1 118 . VAL . 6451 1 119 . VAL . 6451 1 120 . LYS . 6451 1 121 . SER . 6451 1 122 . MET . 6451 1 123 . GLU . 6451 1 124 . ASN . 6451 1 125 . LEU . 6451 1 126 . TYR . 6451 1 127 . LEU . 6451 1 128 . VAL . 6451 1 129 . LEU . 6451 1 130 . HIS . 6451 1 131 . ASN . 6451 1 132 . GLN . 6451 1 133 . GLY . 6451 1 134 . ILE . 6451 1 135 . THR . 6451 1 136 . LEU . 6451 1 137 . GLU . 6451 1 138 . ASN . 6451 1 139 . GLU . 6451 1 140 . HIS . 6451 1 141 . MET . 6451 1 142 . LYS . 6451 1 143 . ILE . 6451 1 144 . GLU . 6451 1 145 . GLU . 6451 1 146 . ILE . 6451 1 147 . SER . 6451 1 148 . SER . 6451 1 149 . SER . 6451 1 150 . ASP . 6451 1 151 . ASN . 6451 1 152 . LYS . 6451 1 153 . HIS . 6451 1 154 . TYR . 6451 1 155 . TYR . 6451 1 156 . ALA . 6451 1 157 . GLY . 6451 1 158 . ARG . 6451 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 . GLY 1 1 6451 1 . HIS 2 2 6451 1 . MET 3 3 6451 1 . SER 4 4 6451 1 . SER 5 5 6451 1 . ARG 6 6 6451 1 . SER 7 7 6451 1 . GLU 8 8 6451 1 . LEU 9 9 6451 1 . LEU 10 10 6451 1 . LEU 11 11 6451 1 . ASP 12 12 6451 1 . ARG 13 13 6451 1 . PHE 14 14 6451 1 . ALA 15 15 6451 1 . GLU 16 16 6451 1 . LYS 17 17 6451 1 . ILE 18 18 6451 1 . GLY 19 19 6451 1 . VAL 20 20 6451 1 . GLY 21 21 6451 1 . SER 22 22 6451 1 . ILE 23 23 6451 1 . SER 24 24 6451 1 . PHE 25 25 6451 1 . ASN 26 26 6451 1 . GLU 27 27 6451 1 . ASN 28 28 6451 1 . ARG 29 29 6451 1 . LEU 30 30 6451 1 . CYS 31 31 6451 1 . SER 32 32 6451 1 . PHE 33 33 6451 1 . ALA 34 34 6451 1 . ILE 35 35 6451 1 . ASP 36 36 6451 1 . GLU 37 37 6451 1 . ILE 38 38 6451 1 . TYR 39 39 6451 1 . TYR 40 40 6451 1 . ILE 41 41 6451 1 . SER 42 42 6451 1 . LEU 43 43 6451 1 . SER 44 44 6451 1 . ASP 45 45 6451 1 . ALA 46 46 6451 1 . ASN 47 47 6451 1 . ASP 48 48 6451 1 . GLU 49 49 6451 1 . TYR 50 50 6451 1 . MET 51 51 6451 1 . MET 52 52 6451 1 . ILE 53 53 6451 1 . TYR 54 54 6451 1 . GLY 55 55 6451 1 . VAL 56 56 6451 1 . CYS 57 57 6451 1 . GLY 58 58 6451 1 . LYS 59 59 6451 1 . PHE 60 60 6451 1 . PRO 61 61 6451 1 . THR 62 62 6451 1 . ASP 63 63 6451 1 . ASN 64 64 6451 1 . PRO 65 65 6451 1 . ASN 66 66 6451 1 . PHE 67 67 6451 1 . ALA 68 68 6451 1 . LEU 69 69 6451 1 . GLU 70 70 6451 1 . ILE 71 71 6451 1 . LEU 72 72 6451 1 . ASN 73 73 6451 1 . ALA 74 74 6451 1 . ASN 75 75 6451 1 . LEU 76 76 6451 1 . TRP 77 77 6451 1 . PHE 78 78 6451 1 . ALA 79 79 6451 1 . GLU 80 80 6451 1 . ASN 81 81 6451 1 . GLY 82 82 6451 1 . GLY 83 83 6451 1 . PRO 84 84 6451 1 . TYR 85 85 6451 1 . LEU 86 86 6451 1 . CYS 87 87 6451 1 . TYR 88 88 6451 1 . GLU 89 89 6451 1 . SER 90 90 6451 1 . GLY 91 91 6451 1 . ALA 92 92 6451 1 . GLN 93 93 6451 1 . SER 94 94 6451 1 . LEU 95 95 6451 1 . LEU 96 96 6451 1 . LEU 97 97 6451 1 . ALA 98 98 6451 1 . LEU 99 99 6451 1 . ARG 100 100 6451 1 . PHE 101 101 6451 1 . PRO 102 102 6451 1 . LEU 103 103 6451 1 . ASP 104 104 6451 1 . ASP 105 105 6451 1 . ALA 106 106 6451 1 . THR 107 107 6451 1 . PRO 108 108 6451 1 . GLU 109 109 6451 1 . LYS 110 110 6451 1 . LEU 111 111 6451 1 . GLU 112 112 6451 1 . ASN 113 113 6451 1 . GLU 114 114 6451 1 . ILE 115 115 6451 1 . GLU 116 116 6451 1 . VAL 117 117 6451 1 . VAL 118 118 6451 1 . VAL 119 119 6451 1 . LYS 120 120 6451 1 . SER 121 121 6451 1 . MET 122 122 6451 1 . GLU 123 123 6451 1 . ASN 124 124 6451 1 . LEU 125 125 6451 1 . TYR 126 126 6451 1 . LEU 127 127 6451 1 . VAL 128 128 6451 1 . LEU 129 129 6451 1 . HIS 130 130 6451 1 . ASN 131 131 6451 1 . GLN 132 132 6451 1 . GLY 133 133 6451 1 . ILE 134 134 6451 1 . THR 135 135 6451 1 . LEU 136 136 6451 1 . GLU 137 137 6451 1 . ASN 138 138 6451 1 . GLU 139 139 6451 1 . HIS 140 140 6451 1 . MET 141 141 6451 1 . LYS 142 142 6451 1 . ILE 143 143 6451 1 . GLU 144 144 6451 1 . GLU 145 145 6451 1 . ILE 146 146 6451 1 . SER 147 147 6451 1 . SER 148 148 6451 1 . SER 149 149 6451 1 . ASP 150 150 6451 1 . ASN 151 151 6451 1 . LYS 152 152 6451 1 . HIS 153 153 6451 1 . TYR 154 154 6451 1 . TYR 155 155 6451 1 . ALA 156 156 6451 1 . GLY 157 157 6451 1 . ARG 158 158 6451 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 6451 _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 $CesT . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli 0181-6/86 . . . . . . . . . . . . . . . . . 'enteropathogenic E. coli' . . 6451 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 6451 _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 $CesT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET16b . . . . . . 6451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'chaperone for the enteropathogenic E. coli secreted protein Tir' '[U-95% 13C; U-90% 15N; 75% 2H]' . . 1 $CesT . . . 0.5 1.5 mM . . . . 6451 1 2 K3PO4 . . . . . . . 50 . . mM . . . . 6451 1 3 NaCl . . . . . . . 100 . . mM . . . . 6451 1 4 d-DTT . . . . . . . 1 . . mM . . . . 6451 1 5 EDTA . . . . . . . 0.5 . . mM . . . . 6451 1 6 D20 . . . . . . . 10 . . % . . . . 6451 1 7 H20 . . . . . . . 90 . . % . . . . 6451 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6451 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'chaperone for the enteropathogenic E. coli secreted protein Tir' '[U-95% 13C; U-90% 15N]' . . 1 $CesT . . . 0.5 1.5 mM . . . . 6451 2 2 K3PO4 . . . . . . . 50 . . mM . . . . 6451 2 3 NaCl . . . . . . . 100 . . mM . . . . 6451 2 4 d-DTT . . . . . . . 1 . . mM . . . . 6451 2 5 EDTA . . . . . . . 0.5 . . mM . . . . 6451 2 6 D20 . . . . . . . 10 . . % . . . . 6451 2 7 H20 . . . . . . . 90 . . % . . . . 6451 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 6451 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.02 M 6451 1 pH 6.8 0.2 n/a 6451 1 temperature 303 1 K 6451 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6451 _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_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6451 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6451 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 6451 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 6451 1 3 NMR_spectrometer_3 Bruker AVANCE . 900 . . . 6451 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 6451 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6451 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6451 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6451 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6451 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6451 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6451 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 3 3 MET CA C 13 54.70 0.2 . 1 . . . . . . . . 6451 1 2 . 1 1 3 3 MET C C 13 175.9 0.2 . 1 . . . . . . . . 6451 1 3 . 1 1 3 3 MET CB C 13 31.88 0.2 . 1 . . . . . . . . 6451 1 4 . 1 1 4 4 SER H H 1 8.363 0.02 . 1 . . . . . . . . 6451 1 5 . 1 1 4 4 SER N N 15 118.8 0.2 . 1 . . . . . . . . 6451 1 6 . 1 1 4 4 SER CA C 13 58.40 0.2 . 1 . . . . . . . . 6451 1 7 . 1 1 4 4 SER C C 13 174.1 0.2 . 1 . . . . . . . . 6451 1 8 . 1 1 4 4 SER CB C 13 63.33 0.2 . 1 . . . . . . . . 6451 1 9 . 1 1 5 5 SER H H 1 8.661 0.02 . 1 . . . . . . . . 6451 1 10 . 1 1 5 5 SER N N 15 120.0 0.2 . 1 . . . . . . . . 6451 1 11 . 1 1 5 5 SER CA C 13 57.25 0.2 . 1 . . . . . . . . 6451 1 12 . 1 1 5 5 SER C C 13 175.1 0.2 . 1 . . . . . . . . 6451 1 13 . 1 1 5 5 SER CB C 13 63.94 0.2 . 1 . . . . . . . . 6451 1 14 . 1 1 6 6 ARG H H 1 8.774 0.02 . 1 . . . . . . . . 6451 1 15 . 1 1 6 6 ARG N N 15 121.9 0.2 . 1 . . . . . . . . 6451 1 16 . 1 1 6 6 ARG CA C 13 59.42 0.2 . 1 . . . . . . . . 6451 1 17 . 1 1 6 6 ARG C C 13 179.5 0.2 . 1 . . . . . . . . 6451 1 18 . 1 1 6 6 ARG CB C 13 29.53 0.2 . 1 . . . . . . . . 6451 1 19 . 1 1 7 7 SER H H 1 8.514 0.02 . 1 . . . . . . . . 6451 1 20 . 1 1 7 7 SER N N 15 116.3 0.2 . 1 . . . . . . . . 6451 1 21 . 1 1 7 7 SER CA C 13 61.16 0.2 . 1 . . . . . . . . 6451 1 22 . 1 1 7 7 SER C C 13 176.0 0.2 . 1 . . . . . . . . 6451 1 23 . 1 1 7 7 SER CB C 13 61.98 0.2 . 1 . . . . . . . . 6451 1 24 . 1 1 8 8 GLU H H 1 7.654 0.02 . 1 . . . . . . . . 6451 1 25 . 1 1 8 8 GLU N N 15 123.3 0.2 . 1 . . . . . . . . 6451 1 26 . 1 1 8 8 GLU CA C 13 59.31 0.2 . 1 . . . . . . . . 6451 1 27 . 1 1 8 8 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 6451 1 28 . 1 1 8 8 GLU CB C 13 28.54 0.2 . 1 . . . . . . . . 6451 1 29 . 1 1 9 9 LEU H H 1 8.017 0.02 . 1 . . . . . . . . 6451 1 30 . 1 1 9 9 LEU N N 15 119.9 0.2 . 1 . . . . . . . . 6451 1 31 . 1 1 9 9 LEU CA C 13 57.31 0.2 . 1 . . . . . . . . 6451 1 32 . 1 1 9 9 LEU C C 13 179.6 0.2 . 1 . . . . . . . . 6451 1 33 . 1 1 9 9 LEU CB C 13 40.94 0.2 . 1 . . . . . . . . 6451 1 34 . 1 1 10 10 LEU H H 1 7.586 0.02 . 1 . . . . . . . . 6451 1 35 . 1 1 10 10 LEU N N 15 119.7 0.2 . 1 . . . . . . . . 6451 1 36 . 1 1 10 10 LEU CA C 13 57.39 0.2 . 1 . . . . . . . . 6451 1 37 . 1 1 10 10 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 6451 1 38 . 1 1 10 10 LEU CB C 13 40.79 0.2 . 1 . . . . . . . . 6451 1 39 . 1 1 11 11 LEU H H 1 8.120 0.02 . 1 . . . . . . . . 6451 1 40 . 1 1 11 11 LEU N N 15 119.6 0.2 . 1 . . . . . . . . 6451 1 41 . 1 1 11 11 LEU CA C 13 57.52 0.2 . 1 . . . . . . . . 6451 1 42 . 1 1 11 11 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 6451 1 43 . 1 1 11 11 LEU CB C 13 40.48 0.2 . 1 . . . . . . . . 6451 1 44 . 1 1 12 12 ASP H H 1 7.925 0.02 . 1 . . . . . . . . 6451 1 45 . 1 1 12 12 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 6451 1 46 . 1 1 12 12 ASP CA C 13 57.20 0.2 . 1 . . . . . . . . 6451 1 47 . 1 1 12 12 ASP C C 13 179.3 0.2 . 1 . . . . . . . . 6451 1 48 . 1 1 12 12 ASP CB C 13 40.15 0.2 . 1 . . . . . . . . 6451 1 49 . 1 1 13 13 ARG H H 1 7.749 0.02 . 1 . . . . . . . . 6451 1 50 . 1 1 13 13 ARG N N 15 118.0 0.2 . 1 . . . . . . . . 6451 1 51 . 1 1 13 13 ARG CA C 13 57.84 0.2 . 1 . . . . . . . . 6451 1 52 . 1 1 13 13 ARG C C 13 179.6 0.2 . 1 . . . . . . . . 6451 1 53 . 1 1 13 13 ARG CB C 13 29.62 0.2 . 1 . . . . . . . . 6451 1 54 . 1 1 14 14 PHE H H 1 8.676 0.02 . 1 . . . . . . . . 6451 1 55 . 1 1 14 14 PHE N N 15 122.9 0.2 . 1 . . . . . . . . 6451 1 56 . 1 1 14 14 PHE CA C 13 60.65 0.2 . 1 . . . . . . . . 6451 1 57 . 1 1 14 14 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 6451 1 58 . 1 1 14 14 PHE CB C 13 39.05 0.2 . 1 . . . . . . . . 6451 1 59 . 1 1 15 15 ALA H H 1 8.753 0.02 . 1 . . . . . . . . 6451 1 60 . 1 1 15 15 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 6451 1 61 . 1 1 15 15 ALA CA C 13 54.45 0.2 . 1 . . . . . . . . 6451 1 62 . 1 1 15 15 ALA C C 13 180.0 0.2 . 1 . . . . . . . . 6451 1 63 . 1 1 15 15 ALA CB C 13 17.24 0.2 . 1 . . . . . . . . 6451 1 64 . 1 1 16 16 GLU H H 1 7.333 0.02 . 1 . . . . . . . . 6451 1 65 . 1 1 16 16 GLU N N 15 116.2 0.2 . 1 . . . . . . . . 6451 1 66 . 1 1 16 16 GLU CA C 13 58.10 0.2 . 1 . . . . . . . . 6451 1 67 . 1 1 16 16 GLU C C 13 178.7 0.2 . 1 . . . . . . . . 6451 1 68 . 1 1 16 16 GLU CB C 13 28.48 0.2 . 1 . . . . . . . . 6451 1 69 . 1 1 17 17 LYS H H 1 7.476 0.02 . 1 . . . . . . . . 6451 1 70 . 1 1 17 17 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 6451 1 71 . 1 1 17 17 LYS CA C 13 58.27 0.2 . 1 . . . . . . . . 6451 1 72 . 1 1 17 17 LYS C C 13 178.8 0.2 . 1 . . . . . . . . 6451 1 73 . 1 1 17 17 LYS CB C 13 31.17 0.2 . 1 . . . . . . . . 6451 1 74 . 1 1 18 18 ILE H H 1 7.372 0.02 . 1 . . . . . . . . 6451 1 75 . 1 1 18 18 ILE N N 15 110.7 0.2 . 1 . . . . . . . . 6451 1 76 . 1 1 18 18 ILE CA C 13 61.24 0.2 . 1 . . . . . . . . 6451 1 77 . 1 1 18 18 ILE C C 13 177.0 0.2 . 1 . . . . . . . . 6451 1 78 . 1 1 18 18 ILE CB C 13 37.12 0.2 . 1 . . . . . . . . 6451 1 79 . 1 1 19 19 GLY H H 1 7.455 0.02 . 1 . . . . . . . . 6451 1 80 . 1 1 19 19 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 6451 1 81 . 1 1 19 19 GLY CA C 13 46.32 0.2 . 1 . . . . . . . . 6451 1 82 . 1 1 19 19 GLY C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 83 . 1 1 20 20 VAL H H 1 7.315 0.02 . 1 . . . . . . . . 6451 1 84 . 1 1 20 20 VAL N N 15 114.9 0.2 . 1 . . . . . . . . 6451 1 85 . 1 1 20 20 VAL CA C 13 60.52 0.2 . 1 . . . . . . . . 6451 1 86 . 1 1 20 20 VAL C C 13 175.5 0.2 . 1 . . . . . . . . 6451 1 87 . 1 1 20 20 VAL CB C 13 31.68 0.2 . 1 . . . . . . . . 6451 1 88 . 1 1 21 21 GLY H H 1 8.019 0.02 . 1 . . . . . . . . 6451 1 89 . 1 1 21 21 GLY N N 15 110.8 0.2 . 1 . . . . . . . . 6451 1 90 . 1 1 21 21 GLY CA C 13 44.66 0.2 . 1 . . . . . . . . 6451 1 91 . 1 1 21 21 GLY C C 13 173.3 0.2 . 1 . . . . . . . . 6451 1 92 . 1 1 22 22 SER H H 1 7.836 0.02 . 1 . . . . . . . . 6451 1 93 . 1 1 22 22 SER N N 15 114.2 0.2 . 1 . . . . . . . . 6451 1 94 . 1 1 22 22 SER CA C 13 57.77 0.2 . 1 . . . . . . . . 6451 1 95 . 1 1 22 22 SER C C 13 174.1 0.2 . 1 . . . . . . . . 6451 1 96 . 1 1 22 22 SER CB C 13 62.69 0.2 . 1 . . . . . . . . 6451 1 97 . 1 1 23 23 ILE H H 1 8.006 0.02 . 1 . . . . . . . . 6451 1 98 . 1 1 23 23 ILE N N 15 122.9 0.2 . 1 . . . . . . . . 6451 1 99 . 1 1 23 23 ILE CA C 13 60.05 0.2 . 1 . . . . . . . . 6451 1 100 . 1 1 23 23 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 6451 1 101 . 1 1 23 23 ILE CB C 13 39.32 0.2 . 1 . . . . . . . . 6451 1 102 . 1 1 24 24 SER H H 1 7.931 0.02 . 1 . . . . . . . . 6451 1 103 . 1 1 24 24 SER N N 15 116.1 0.2 . 1 . . . . . . . . 6451 1 104 . 1 1 24 24 SER CA C 13 56.54 0.2 . 1 . . . . . . . . 6451 1 105 . 1 1 24 24 SER C C 13 173.7 0.2 . 1 . . . . . . . . 6451 1 106 . 1 1 24 24 SER CB C 13 64.79 0.2 . 1 . . . . . . . . 6451 1 107 . 1 1 25 25 PHE H H 1 8.700 0.02 . 1 . . . . . . . . 6451 1 108 . 1 1 25 25 PHE N N 15 120.8 0.2 . 1 . . . . . . . . 6451 1 109 . 1 1 25 25 PHE CA C 13 58.74 0.2 . 1 . . . . . . . . 6451 1 110 . 1 1 25 25 PHE C C 13 176.6 0.2 . 1 . . . . . . . . 6451 1 111 . 1 1 25 25 PHE CB C 13 39.40 0.2 . 1 . . . . . . . . 6451 1 112 . 1 1 26 26 ASN H H 1 8.714 0.02 . 1 . . . . . . . . 6451 1 113 . 1 1 26 26 ASN N N 15 121.6 0.2 . 1 . . . . . . . . 6451 1 114 . 1 1 26 26 ASN CA C 13 50.94 0.2 . 1 . . . . . . . . 6451 1 115 . 1 1 26 26 ASN C C 13 177.6 0.2 . 1 . . . . . . . . 6451 1 116 . 1 1 26 26 ASN CB C 13 38.34 0.2 . 1 . . . . . . . . 6451 1 117 . 1 1 27 27 GLU H H 1 9.217 0.02 . 1 . . . . . . . . 6451 1 118 . 1 1 27 27 GLU N N 15 118.9 0.2 . 1 . . . . . . . . 6451 1 119 . 1 1 27 27 GLU CA C 13 58.73 0.2 . 1 . . . . . . . . 6451 1 120 . 1 1 27 27 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 6451 1 121 . 1 1 27 27 GLU CB C 13 27.87 0.2 . 1 . . . . . . . . 6451 1 122 . 1 1 28 28 ASN H H 1 7.806 0.02 . 1 . . . . . . . . 6451 1 123 . 1 1 28 28 ASN N N 15 117.5 0.2 . 1 . . . . . . . . 6451 1 124 . 1 1 28 28 ASN CA C 13 52.48 0.2 . 1 . . . . . . . . 6451 1 125 . 1 1 28 28 ASN C C 13 173.7 0.2 . 1 . . . . . . . . 6451 1 126 . 1 1 28 28 ASN CB C 13 38.30 0.2 . 1 . . . . . . . . 6451 1 127 . 1 1 29 29 ARG H H 1 8.385 0.02 . 1 . . . . . . . . 6451 1 128 . 1 1 29 29 ARG N N 15 112.8 0.2 . 1 . . . . . . . . 6451 1 129 . 1 1 29 29 ARG CA C 13 55.31 0.2 . 1 . . . . . . . . 6451 1 130 . 1 1 29 29 ARG C C 13 173.5 0.2 . 1 . . . . . . . . 6451 1 131 . 1 1 29 29 ARG CB C 13 23.42 0.2 . 1 . . . . . . . . 6451 1 132 . 1 1 30 30 LEU H H 1 7.779 0.02 . 1 . . . . . . . . 6451 1 133 . 1 1 30 30 LEU N N 15 118.3 0.2 . 1 . . . . . . . . 6451 1 134 . 1 1 30 30 LEU CA C 13 53.49 0.2 . 1 . . . . . . . . 6451 1 135 . 1 1 30 30 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 6451 1 136 . 1 1 30 30 LEU CB C 13 45.43 0.2 . 1 . . . . . . . . 6451 1 137 . 1 1 31 31 CYS H H 1 9.147 0.02 . 1 . . . . . . . . 6451 1 138 . 1 1 31 31 CYS N N 15 123.0 0.2 . 1 . . . . . . . . 6451 1 139 . 1 1 31 31 CYS CA C 13 57.27 0.2 . 1 . . . . . . . . 6451 1 140 . 1 1 31 31 CYS C C 13 173.3 0.2 . 1 . . . . . . . . 6451 1 141 . 1 1 31 31 CYS CB C 13 29.62 0.2 . 1 . . . . . . . . 6451 1 142 . 1 1 32 32 SER H H 1 8.513 0.02 . 1 . . . . . . . . 6451 1 143 . 1 1 32 32 SER N N 15 120.4 0.2 . 1 . . . . . . . . 6451 1 144 . 1 1 32 32 SER CA C 13 57.23 0.2 . 1 . . . . . . . . 6451 1 145 . 1 1 32 32 SER C C 13 172.7 0.2 . 1 . . . . . . . . 6451 1 146 . 1 1 32 32 SER CB C 13 65.27 0.2 . 1 . . . . . . . . 6451 1 147 . 1 1 33 33 PHE H H 1 8.716 0.02 . 1 . . . . . . . . 6451 1 148 . 1 1 33 33 PHE N N 15 120.4 0.2 . 1 . . . . . . . . 6451 1 149 . 1 1 33 33 PHE CA C 13 55.83 0.2 . 1 . . . . . . . . 6451 1 150 . 1 1 33 33 PHE C C 13 171.7 0.2 . 1 . . . . . . . . 6451 1 151 . 1 1 33 33 PHE CB C 13 39.41 0.2 . 1 . . . . . . . . 6451 1 152 . 1 1 34 34 ALA H H 1 8.342 0.02 . 1 . . . . . . . . 6451 1 153 . 1 1 34 34 ALA N N 15 120.8 0.2 . 1 . . . . . . . . 6451 1 154 . 1 1 34 34 ALA CA C 13 49.70 0.2 . 1 . . . . . . . . 6451 1 155 . 1 1 34 34 ALA C C 13 177.3 0.2 . 1 . . . . . . . . 6451 1 156 . 1 1 34 34 ALA CB C 13 19.63 0.2 . 1 . . . . . . . . 6451 1 157 . 1 1 35 35 ILE H H 1 9.163 0.02 . 1 . . . . . . . . 6451 1 158 . 1 1 35 35 ILE N N 15 124.7 0.2 . 1 . . . . . . . . 6451 1 159 . 1 1 35 35 ILE CA C 13 58.62 0.2 . 1 . . . . . . . . 6451 1 160 . 1 1 35 35 ILE C C 13 175.4 0.2 . 1 . . . . . . . . 6451 1 161 . 1 1 35 35 ILE CB C 13 37.52 0.2 . 1 . . . . . . . . 6451 1 162 . 1 1 36 36 ASP H H 1 9.136 0.02 . 1 . . . . . . . . 6451 1 163 . 1 1 36 36 ASP N N 15 126.4 0.2 . 1 . . . . . . . . 6451 1 164 . 1 1 36 36 ASP CA C 13 55.20 0.2 . 1 . . . . . . . . 6451 1 165 . 1 1 36 36 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 6451 1 166 . 1 1 36 36 ASP CB C 13 38.91 0.2 . 1 . . . . . . . . 6451 1 167 . 1 1 37 37 GLU H H 1 8.355 0.02 . 1 . . . . . . . . 6451 1 168 . 1 1 37 37 GLU N N 15 109.6 0.2 . 1 . . . . . . . . 6451 1 169 . 1 1 37 37 GLU CA C 13 60.05 0.2 . 1 . . . . . . . . 6451 1 170 . 1 1 37 37 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 6451 1 171 . 1 1 37 37 GLU CB C 13 28.40 0.2 . 1 . . . . . . . . 6451 1 172 . 1 1 38 38 ILE H H 1 7.951 0.02 . 1 . . . . . . . . 6451 1 173 . 1 1 38 38 ILE N N 15 114.6 0.2 . 1 . . . . . . . . 6451 1 174 . 1 1 38 38 ILE CA C 13 61.60 0.2 . 1 . . . . . . . . 6451 1 175 . 1 1 38 38 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 6451 1 176 . 1 1 38 38 ILE CB C 13 39.61 0.2 . 1 . . . . . . . . 6451 1 177 . 1 1 39 39 TYR H H 1 7.766 0.02 . 1 . . . . . . . . 6451 1 178 . 1 1 39 39 TYR N N 15 120.6 0.2 . 1 . . . . . . . . 6451 1 179 . 1 1 39 39 TYR CA C 13 56.71 0.2 . 1 . . . . . . . . 6451 1 180 . 1 1 39 39 TYR C C 13 174.3 0.2 . 1 . . . . . . . . 6451 1 181 . 1 1 39 39 TYR CB C 13 37.26 0.2 . 1 . . . . . . . . 6451 1 182 . 1 1 40 40 TYR H H 1 9.053 0.02 . 1 . . . . . . . . 6451 1 183 . 1 1 40 40 TYR N N 15 126.8 0.2 . 1 . . . . . . . . 6451 1 184 . 1 1 40 40 TYR CA C 13 58.61 0.2 . 1 . . . . . . . . 6451 1 185 . 1 1 40 40 TYR C C 13 173.8 0.2 . 1 . . . . . . . . 6451 1 186 . 1 1 40 40 TYR CB C 13 37.20 0.2 . 1 . . . . . . . . 6451 1 187 . 1 1 41 41 ILE H H 1 8.472 0.02 . 1 . . . . . . . . 6451 1 188 . 1 1 41 41 ILE N N 15 126.9 0.2 . 1 . . . . . . . . 6451 1 189 . 1 1 41 41 ILE CA C 13 56.33 0.2 . 1 . . . . . . . . 6451 1 190 . 1 1 41 41 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 191 . 1 1 41 41 ILE CB C 13 37.57 0.2 . 1 . . . . . . . . 6451 1 192 . 1 1 42 42 SER H H 1 9.231 0.02 . 1 . . . . . . . . 6451 1 193 . 1 1 42 42 SER N N 15 120.1 0.2 . 1 . . . . . . . . 6451 1 194 . 1 1 42 42 SER CA C 13 56.90 0.2 . 1 . . . . . . . . 6451 1 195 . 1 1 42 42 SER C C 13 172.5 0.2 . 1 . . . . . . . . 6451 1 196 . 1 1 42 42 SER CB C 13 66.39 0.2 . 1 . . . . . . . . 6451 1 197 . 1 1 43 43 LEU H H 1 9.019 0.02 . 1 . . . . . . . . 6451 1 198 . 1 1 43 43 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 6451 1 199 . 1 1 43 43 LEU CA C 13 52.31 0.2 . 1 . . . . . . . . 6451 1 200 . 1 1 43 43 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 201 . 1 1 43 43 LEU CB C 13 43.33 0.2 . 1 . . . . . . . . 6451 1 202 . 1 1 44 44 SER H H 1 9.047 0.02 . 1 . . . . . . . . 6451 1 203 . 1 1 44 44 SER N N 15 114.6 0.2 . 1 . . . . . . . . 6451 1 204 . 1 1 44 44 SER CA C 13 54.59 0.2 . 1 . . . . . . . . 6451 1 205 . 1 1 44 44 SER C C 13 175.8 0.2 . 1 . . . . . . . . 6451 1 206 . 1 1 44 44 SER CB C 13 65.24 0.2 . 1 . . . . . . . . 6451 1 207 . 1 1 45 45 ASP H H 1 8.356 0.02 . 1 . . . . . . . . 6451 1 208 . 1 1 45 45 ASP N N 15 129.8 0.2 . 1 . . . . . . . . 6451 1 209 . 1 1 45 45 ASP CA C 13 52.03 0.2 . 1 . . . . . . . . 6451 1 210 . 1 1 45 45 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 6451 1 211 . 1 1 45 45 ASP CB C 13 38.91 0.2 . 1 . . . . . . . . 6451 1 212 . 1 1 46 46 ALA H H 1 7.454 0.02 . 1 . . . . . . . . 6451 1 213 . 1 1 46 46 ALA N N 15 124.8 0.2 . 1 . . . . . . . . 6451 1 214 . 1 1 46 46 ALA CA C 13 53.94 0.2 . 1 . . . . . . . . 6451 1 215 . 1 1 46 46 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 6451 1 216 . 1 1 46 46 ALA CB C 13 18.69 0.2 . 1 . . . . . . . . 6451 1 217 . 1 1 47 47 ASN H H 1 7.956 0.02 . 1 . . . . . . . . 6451 1 218 . 1 1 47 47 ASN N N 15 115.5 0.2 . 1 . . . . . . . . 6451 1 219 . 1 1 47 47 ASN CA C 13 52.43 0.2 . 1 . . . . . . . . 6451 1 220 . 1 1 47 47 ASN C C 13 173.5 0.2 . 1 . . . . . . . . 6451 1 221 . 1 1 47 47 ASN CB C 13 39.24 0.2 . 1 . . . . . . . . 6451 1 222 . 1 1 48 48 ASP H H 1 8.378 0.02 . 1 . . . . . . . . 6451 1 223 . 1 1 48 48 ASP N N 15 119.6 0.2 . 1 . . . . . . . . 6451 1 224 . 1 1 48 48 ASP CA C 13 56.23 0.2 . 1 . . . . . . . . 6451 1 225 . 1 1 48 48 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 6451 1 226 . 1 1 48 48 ASP CB C 13 40.36 0.2 . 1 . . . . . . . . 6451 1 227 . 1 1 49 49 GLU H H 1 8.767 0.02 . 1 . . . . . . . . 6451 1 228 . 1 1 49 49 GLU N N 15 115.5 0.2 . 1 . . . . . . . . 6451 1 229 . 1 1 49 49 GLU CA C 13 56.62 0.2 . 1 . . . . . . . . 6451 1 230 . 1 1 49 49 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 6451 1 231 . 1 1 49 49 GLU CB C 13 30.50 0.2 . 1 . . . . . . . . 6451 1 232 . 1 1 50 50 TYR H H 1 7.359 0.02 . 1 . . . . . . . . 6451 1 233 . 1 1 50 50 TYR N N 15 116.7 0.2 . 1 . . . . . . . . 6451 1 234 . 1 1 50 50 TYR CA C 13 56.49 0.2 . 1 . . . . . . . . 6451 1 235 . 1 1 50 50 TYR C C 13 172.4 0.2 . 1 . . . . . . . . 6451 1 236 . 1 1 50 50 TYR CB C 13 38.83 0.2 . 1 . . . . . . . . 6451 1 237 . 1 1 51 51 MET H H 1 8.969 0.02 . 1 . . . . . . . . 6451 1 238 . 1 1 51 51 MET N N 15 118.4 0.2 . 1 . . . . . . . . 6451 1 239 . 1 1 51 51 MET CA C 13 53.97 0.2 . 1 . . . . . . . . 6451 1 240 . 1 1 51 51 MET C C 13 176.0 0.2 . 1 . . . . . . . . 6451 1 241 . 1 1 51 51 MET CB C 13 36.75 0.2 . 1 . . . . . . . . 6451 1 242 . 1 1 52 52 MET H H 1 8.338 0.02 . 1 . . . . . . . . 6451 1 243 . 1 1 52 52 MET N N 15 118.8 0.2 . 1 . . . . . . . . 6451 1 244 . 1 1 52 52 MET CA C 13 51.99 0.2 . 1 . . . . . . . . 6451 1 245 . 1 1 52 52 MET C C 13 174.6 0.2 . 1 . . . . . . . . 6451 1 246 . 1 1 52 52 MET CB C 13 31.74 0.2 . 1 . . . . . . . . 6451 1 247 . 1 1 53 53 ILE H H 1 8.716 0.02 . 1 . . . . . . . . 6451 1 248 . 1 1 53 53 ILE N N 15 122.1 0.2 . 1 . . . . . . . . 6451 1 249 . 1 1 53 53 ILE CA C 13 60.11 0.2 . 1 . . . . . . . . 6451 1 250 . 1 1 53 53 ILE C C 13 174.1 0.2 . 1 . . . . . . . . 6451 1 251 . 1 1 53 53 ILE CB C 13 38.04 0.2 . 1 . . . . . . . . 6451 1 252 . 1 1 54 54 TYR H H 1 9.138 0.02 . 1 . . . . . . . . 6451 1 253 . 1 1 54 54 TYR N N 15 122.9 0.2 . 1 . . . . . . . . 6451 1 254 . 1 1 54 54 TYR CA C 13 54.03 0.2 . 1 . . . . . . . . 6451 1 255 . 1 1 54 54 TYR C C 13 175.7 0.2 . 1 . . . . . . . . 6451 1 256 . 1 1 54 54 TYR CB C 13 39.21 0.2 . 1 . . . . . . . . 6451 1 257 . 1 1 55 55 GLY H H 1 9.722 0.02 . 1 . . . . . . . . 6451 1 258 . 1 1 55 55 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 6451 1 259 . 1 1 55 55 GLY CA C 13 45.80 0.2 . 1 . . . . . . . . 6451 1 260 . 1 1 55 55 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 6451 1 261 . 1 1 56 56 VAL H H 1 8.895 0.02 . 1 . . . . . . . . 6451 1 262 . 1 1 56 56 VAL N N 15 128.6 0.2 . 1 . . . . . . . . 6451 1 263 . 1 1 56 56 VAL CA C 13 62.20 0.2 . 1 . . . . . . . . 6451 1 264 . 1 1 56 56 VAL C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 265 . 1 1 56 56 VAL CB C 13 29.35 0.2 . 1 . . . . . . . . 6451 1 266 . 1 1 57 57 CYS H H 1 8.572 0.02 . 1 . . . . . . . . 6451 1 267 . 1 1 57 57 CYS N N 15 125.1 0.2 . 1 . . . . . . . . 6451 1 268 . 1 1 57 57 CYS CA C 13 61.01 0.2 . 1 . . . . . . . . 6451 1 269 . 1 1 57 57 CYS C C 13 175.5 0.2 . 1 . . . . . . . . 6451 1 270 . 1 1 57 57 CYS CB C 13 27.45 0.2 . 1 . . . . . . . . 6451 1 271 . 1 1 58 58 GLY H H 1 7.095 0.02 . 1 . . . . . . . . 6451 1 272 . 1 1 58 58 GLY N N 15 102.7 0.2 . 1 . . . . . . . . 6451 1 273 . 1 1 58 58 GLY CA C 13 43.63 0.2 . 1 . . . . . . . . 6451 1 274 . 1 1 58 58 GLY C C 13 171.2 0.2 . 1 . . . . . . . . 6451 1 275 . 1 1 59 59 LYS H H 1 8.556 0.02 . 1 . . . . . . . . 6451 1 276 . 1 1 59 59 LYS N N 15 121.1 0.2 . 1 . . . . . . . . 6451 1 277 . 1 1 59 59 LYS CA C 13 55.85 0.2 . 1 . . . . . . . . 6451 1 278 . 1 1 59 59 LYS C C 13 176.3 0.2 . 1 . . . . . . . . 6451 1 279 . 1 1 59 59 LYS CB C 13 31.99 0.2 . 1 . . . . . . . . 6451 1 280 . 1 1 60 60 PHE H H 1 9.229 0.02 . 1 . . . . . . . . 6451 1 281 . 1 1 60 60 PHE N N 15 128.6 0.2 . 1 . . . . . . . . 6451 1 282 . 1 1 60 60 PHE CA C 13 56.02 0.2 . 1 . . . . . . . . 6451 1 283 . 1 1 60 60 PHE C C 13 173.9 0.2 . 1 . . . . . . . . 6451 1 284 . 1 1 60 60 PHE CB C 13 40.02 0.2 . 1 . . . . . . . . 6451 1 285 . 1 1 61 61 PRO CA C 13 61.95 0.2 . 1 . . . . . . . . 6451 1 286 . 1 1 61 61 PRO C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 287 . 1 1 61 61 PRO CB C 13 29.91 0.2 . 1 . . . . . . . . 6451 1 288 . 1 1 62 62 THR H H 1 8.199 0.02 . 1 . . . . . . . . 6451 1 289 . 1 1 62 62 THR N N 15 115.4 0.2 . 1 . . . . . . . . 6451 1 290 . 1 1 62 62 THR CA C 13 62.31 0.2 . 1 . . . . . . . . 6451 1 291 . 1 1 62 62 THR C C 13 174.9 0.2 . 1 . . . . . . . . 6451 1 292 . 1 1 62 62 THR CB C 13 68.50 0.2 . 1 . . . . . . . . 6451 1 293 . 1 1 63 63 ASP H H 1 8.394 0.02 . 1 . . . . . . . . 6451 1 294 . 1 1 63 63 ASP N N 15 119.8 0.2 . 1 . . . . . . . . 6451 1 295 . 1 1 63 63 ASP CA C 13 53.80 0.2 . 1 . . . . . . . . 6451 1 296 . 1 1 63 63 ASP C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 297 . 1 1 63 63 ASP CB C 13 39.62 0.2 . 1 . . . . . . . . 6451 1 298 . 1 1 64 64 ASN H H 1 7.779 0.02 . 1 . . . . . . . . 6451 1 299 . 1 1 64 64 ASN N N 15 116.6 0.2 . 1 . . . . . . . . 6451 1 300 . 1 1 64 64 ASN CA C 13 49.71 0.2 . 1 . . . . . . . . 6451 1 301 . 1 1 64 64 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 6451 1 302 . 1 1 64 64 ASN CB C 13 38.28 0.2 . 1 . . . . . . . . 6451 1 303 . 1 1 65 65 PRO CA C 13 64.40 0.2 . 1 . . . . . . . . 6451 1 304 . 1 1 65 65 PRO C C 13 178.0 0.2 . 1 . . . . . . . . 6451 1 305 . 1 1 65 65 PRO CB C 13 31.21 0.2 . 1 . . . . . . . . 6451 1 306 . 1 1 66 66 ASN H H 1 8.144 0.02 . 1 . . . . . . . . 6451 1 307 . 1 1 66 66 ASN N N 15 115.6 0.2 . 1 . . . . . . . . 6451 1 308 . 1 1 66 66 ASN CA C 13 54.89 0.2 . 1 . . . . . . . . 6451 1 309 . 1 1 66 66 ASN C C 13 177.1 0.2 . 1 . . . . . . . . 6451 1 310 . 1 1 66 66 ASN CB C 13 37.76 0.2 . 1 . . . . . . . . 6451 1 311 . 1 1 67 67 PHE H H 1 7.672 0.02 . 1 . . . . . . . . 6451 1 312 . 1 1 67 67 PHE N N 15 121.9 0.2 . 1 . . . . . . . . 6451 1 313 . 1 1 67 67 PHE CA C 13 60.35 0.2 . 1 . . . . . . . . 6451 1 314 . 1 1 67 67 PHE C C 13 176.8 0.2 . 1 . . . . . . . . 6451 1 315 . 1 1 67 67 PHE CB C 13 37.85 0.2 . 1 . . . . . . . . 6451 1 316 . 1 1 68 68 ALA H H 1 7.975 0.02 . 1 . . . . . . . . 6451 1 317 . 1 1 68 68 ALA N N 15 118.9 0.2 . 1 . . . . . . . . 6451 1 318 . 1 1 68 68 ALA CA C 13 55.23 0.2 . 1 . . . . . . . . 6451 1 319 . 1 1 68 68 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 6451 1 320 . 1 1 68 68 ALA CB C 13 17.61 0.2 . 1 . . . . . . . . 6451 1 321 . 1 1 69 69 LEU H H 1 7.094 0.02 . 1 . . . . . . . . 6451 1 322 . 1 1 69 69 LEU N N 15 115.4 0.2 . 1 . . . . . . . . 6451 1 323 . 1 1 69 69 LEU CA C 13 57.21 0.2 . 1 . . . . . . . . 6451 1 324 . 1 1 69 69 LEU C C 13 179.1 0.2 . 1 . . . . . . . . 6451 1 325 . 1 1 69 69 LEU CB C 13 39.09 0.2 . 1 . . . . . . . . 6451 1 326 . 1 1 70 70 GLU H H 1 7.491 0.02 . 1 . . . . . . . . 6451 1 327 . 1 1 70 70 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 6451 1 328 . 1 1 70 70 GLU CA C 13 58.57 0.2 . 1 . . . . . . . . 6451 1 329 . 1 1 70 70 GLU C C 13 180.0 0.2 . 1 . . . . . . . . 6451 1 330 . 1 1 70 70 GLU CB C 13 27.63 0.2 . 1 . . . . . . . . 6451 1 331 . 1 1 71 71 ILE H H 1 7.732 0.02 . 1 . . . . . . . . 6451 1 332 . 1 1 71 71 ILE N N 15 120.6 0.2 . 1 . . . . . . . . 6451 1 333 . 1 1 71 71 ILE CA C 13 61.11 0.2 . 1 . . . . . . . . 6451 1 334 . 1 1 71 71 ILE C C 13 177.8 0.2 . 1 . . . . . . . . 6451 1 335 . 1 1 71 71 ILE CB C 13 34.01 0.2 . 1 . . . . . . . . 6451 1 336 . 1 1 72 72 LEU H H 1 8.097 0.02 . 1 . . . . . . . . 6451 1 337 . 1 1 72 72 LEU N N 15 119.5 0.2 . 1 . . . . . . . . 6451 1 338 . 1 1 72 72 LEU CA C 13 57.71 0.2 . 1 . . . . . . . . 6451 1 339 . 1 1 72 72 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 6451 1 340 . 1 1 72 72 LEU CB C 13 42.24 0.2 . 1 . . . . . . . . 6451 1 341 . 1 1 73 73 ASN H H 1 8.420 0.02 . 1 . . . . . . . . 6451 1 342 . 1 1 73 73 ASN N N 15 120.9 0.2 . 1 . . . . . . . . 6451 1 343 . 1 1 73 73 ASN CA C 13 56.11 0.2 . 1 . . . . . . . . 6451 1 344 . 1 1 73 73 ASN C C 13 178.1 0.2 . 1 . . . . . . . . 6451 1 345 . 1 1 73 73 ASN CB C 13 40.21 0.2 . 1 . . . . . . . . 6451 1 346 . 1 1 74 74 ALA H H 1 8.236 0.02 . 1 . . . . . . . . 6451 1 347 . 1 1 74 74 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 6451 1 348 . 1 1 74 74 ALA CA C 13 54.55 0.2 . 1 . . . . . . . . 6451 1 349 . 1 1 74 74 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 6451 1 350 . 1 1 74 74 ALA CB C 13 17.38 0.2 . 1 . . . . . . . . 6451 1 351 . 1 1 75 75 ASN H H 1 7.585 0.02 . 1 . . . . . . . . 6451 1 352 . 1 1 75 75 ASN N N 15 116.0 0.2 . 1 . . . . . . . . 6451 1 353 . 1 1 75 75 ASN CA C 13 55.37 0.2 . 1 . . . . . . . . 6451 1 354 . 1 1 75 75 ASN C C 13 179.4 0.2 . 1 . . . . . . . . 6451 1 355 . 1 1 75 75 ASN CB C 13 32.0 0.2 . 1 . . . . . . . . 6451 1 356 . 1 1 76 76 LEU H H 1 7.869 0.02 . 1 . . . . . . . . 6451 1 357 . 1 1 76 76 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 6451 1 358 . 1 1 76 76 LEU CA C 13 60.36 0.2 . 1 . . . . . . . . 6451 1 359 . 1 1 76 76 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 6451 1 360 . 1 1 76 76 LEU CB C 13 37.16 0.2 . 1 . . . . . . . . 6451 1 361 . 1 1 77 77 TRP H H 1 8.640 0.02 . 1 . . . . . . . . 6451 1 362 . 1 1 77 77 TRP N N 15 124.6 0.2 . 1 . . . . . . . . 6451 1 363 . 1 1 77 77 TRP CA C 13 56.18 0.2 . 1 . . . . . . . . 6451 1 364 . 1 1 77 77 TRP C C 13 175.9 0.2 . 1 . . . . . . . . 6451 1 365 . 1 1 77 77 TRP CB C 13 30.15 0.2 . 1 . . . . . . . . 6451 1 366 . 1 1 78 78 PHE H H 1 8.230 0.02 . 1 . . . . . . . . 6451 1 367 . 1 1 78 78 PHE N N 15 119.3 0.2 . 1 . . . . . . . . 6451 1 368 . 1 1 78 78 PHE CA C 13 61.31 0.2 . 1 . . . . . . . . 6451 1 369 . 1 1 78 78 PHE C C 13 178.4 0.2 . 1 . . . . . . . . 6451 1 370 . 1 1 78 78 PHE CB C 13 38.06 0.2 . 1 . . . . . . . . 6451 1 371 . 1 1 79 79 ALA H H 1 7.973 0.02 . 1 . . . . . . . . 6451 1 372 . 1 1 79 79 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 6451 1 373 . 1 1 79 79 ALA CA C 13 53.45 0.2 . 1 . . . . . . . . 6451 1 374 . 1 1 79 79 ALA C C 13 180.3 0.2 . 1 . . . . . . . . 6451 1 375 . 1 1 79 79 ALA CB C 13 18.15 0.2 . 1 . . . . . . . . 6451 1 376 . 1 1 80 80 GLU H H 1 7.082 0.02 . 1 . . . . . . . . 6451 1 377 . 1 1 80 80 GLU N N 15 116.3 0.2 . 1 . . . . . . . . 6451 1 378 . 1 1 80 80 GLU CA C 13 57.79 0.2 . 1 . . . . . . . . 6451 1 379 . 1 1 80 80 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 6451 1 380 . 1 1 80 80 GLU CB C 13 28.78 0.2 . 1 . . . . . . . . 6451 1 381 . 1 1 81 81 ASN H H 1 6.980 0.02 . 1 . . . . . . . . 6451 1 382 . 1 1 81 81 ASN N N 15 112.9 0.2 . 1 . . . . . . . . 6451 1 383 . 1 1 81 81 ASN CA C 13 52.69 0.2 . 1 . . . . . . . . 6451 1 384 . 1 1 81 81 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 385 . 1 1 81 81 ASN CB C 13 39.00 0.2 . 1 . . . . . . . . 6451 1 386 . 1 1 82 82 GLY H H 1 7.352 0.02 . 1 . . . . . . . . 6451 1 387 . 1 1 82 82 GLY N N 15 110.6 0.2 . 1 . . . . . . . . 6451 1 388 . 1 1 82 82 GLY CA C 13 46.31 0.2 . 1 . . . . . . . . 6451 1 389 . 1 1 82 82 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 390 . 1 1 83 83 GLY H H 1 8.366 0.02 . 1 . . . . . . . . 6451 1 391 . 1 1 83 83 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 6451 1 392 . 1 1 83 83 GLY CA C 13 43.76 0.2 . 1 . . . . . . . . 6451 1 393 . 1 1 83 83 GLY C C 13 180.7 0.2 . 1 . . . . . . . . 6451 1 394 . 1 1 86 86 LEU CA C 13 56.29 0.2 . 1 . . . . . . . . 6451 1 395 . 1 1 86 86 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 6451 1 396 . 1 1 87 87 CYS H H 1 8.739 0.02 . 1 . . . . . . . . 6451 1 397 . 1 1 87 87 CYS N N 15 125.2 0.2 . 1 . . . . . . . . 6451 1 398 . 1 1 87 87 CYS CA C 13 55.63 0.2 . 1 . . . . . . . . 6451 1 399 . 1 1 87 87 CYS C C 13 172.1 0.2 . 1 . . . . . . . . 6451 1 400 . 1 1 87 87 CYS CB C 13 32.13 0.2 . 1 . . . . . . . . 6451 1 401 . 1 1 88 88 TYR H H 1 6.581 0.02 . 1 . . . . . . . . 6451 1 402 . 1 1 88 88 TYR N N 15 121.2 0.2 . 1 . . . . . . . . 6451 1 403 . 1 1 88 88 TYR CA C 13 54.53 0.2 . 1 . . . . . . . . 6451 1 404 . 1 1 88 88 TYR C C 13 172.2 0.2 . 1 . . . . . . . . 6451 1 405 . 1 1 88 88 TYR CB C 13 42.43 0.2 . 1 . . . . . . . . 6451 1 406 . 1 1 89 89 GLU H H 1 8.105 0.02 . 1 . . . . . . . . 6451 1 407 . 1 1 89 89 GLU N N 15 129.9 0.2 . 1 . . . . . . . . 6451 1 408 . 1 1 89 89 GLU CA C 13 54.84 0.2 . 1 . . . . . . . . 6451 1 409 . 1 1 89 89 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 6451 1 410 . 1 1 89 89 GLU CB C 13 31.08 0.2 . 1 . . . . . . . . 6451 1 411 . 1 1 90 90 SER H H 1 7.543 0.02 . 1 . . . . . . . . 6451 1 412 . 1 1 90 90 SER N N 15 119.6 0.2 . 1 . . . . . . . . 6451 1 413 . 1 1 90 90 SER CA C 13 60.09 0.2 . 1 . . . . . . . . 6451 1 414 . 1 1 90 90 SER C C 13 175.4 0.2 . 1 . . . . . . . . 6451 1 415 . 1 1 90 90 SER CB C 13 62.69 0.2 . 1 . . . . . . . . 6451 1 416 . 1 1 91 91 GLY H H 1 8.833 0.02 . 1 . . . . . . . . 6451 1 417 . 1 1 91 91 GLY N N 15 115.1 0.2 . 1 . . . . . . . . 6451 1 418 . 1 1 91 91 GLY CA C 13 46.65 0.2 . 1 . . . . . . . . 6451 1 419 . 1 1 91 91 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 420 . 1 1 92 92 ALA H H 1 8.734 0.02 . 1 . . . . . . . . 6451 1 421 . 1 1 92 92 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 6451 1 422 . 1 1 92 92 ALA CA C 13 50.81 0.2 . 1 . . . . . . . . 6451 1 423 . 1 1 92 92 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 6451 1 424 . 1 1 92 92 ALA CB C 13 17.94 0.2 . 1 . . . . . . . . 6451 1 425 . 1 1 93 93 GLN H H 1 7.465 0.02 . 1 . . . . . . . . 6451 1 426 . 1 1 93 93 GLN N N 15 116.8 0.2 . 1 . . . . . . . . 6451 1 427 . 1 1 93 93 GLN CA C 13 56.48 0.2 . 1 . . . . . . . . 6451 1 428 . 1 1 93 93 GLN C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 429 . 1 1 93 93 GLN CB C 13 25.16 0.2 . 1 . . . . . . . . 6451 1 430 . 1 1 94 94 SER H H 1 7.460 0.02 . 1 . . . . . . . . 6451 1 431 . 1 1 94 94 SER N N 15 111.6 0.2 . 1 . . . . . . . . 6451 1 432 . 1 1 94 94 SER CA C 13 57.48 0.2 . 1 . . . . . . . . 6451 1 433 . 1 1 94 94 SER C C 13 173.4 0.2 . 1 . . . . . . . . 6451 1 434 . 1 1 94 94 SER CB C 13 65.83 0.2 . 1 . . . . . . . . 6451 1 435 . 1 1 95 95 LEU H H 1 8.796 0.02 . 1 . . . . . . . . 6451 1 436 . 1 1 95 95 LEU N N 15 124.0 0.2 . 1 . . . . . . . . 6451 1 437 . 1 1 95 95 LEU CA C 13 54.03 0.2 . 1 . . . . . . . . 6451 1 438 . 1 1 95 95 LEU C C 13 174.4 0.2 . 1 . . . . . . . . 6451 1 439 . 1 1 95 95 LEU CB C 13 42.05 0.2 . 1 . . . . . . . . 6451 1 440 . 1 1 96 96 LEU H H 1 8.748 0.02 . 1 . . . . . . . . 6451 1 441 . 1 1 96 96 LEU N N 15 126.8 0.2 . 1 . . . . . . . . 6451 1 442 . 1 1 96 96 LEU CA C 13 52.76 0.2 . 1 . . . . . . . . 6451 1 443 . 1 1 96 96 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 6451 1 444 . 1 1 96 96 LEU CB C 13 45.52 0.2 . 1 . . . . . . . . 6451 1 445 . 1 1 97 97 LEU H H 1 8.948 0.02 . 1 . . . . . . . . 6451 1 446 . 1 1 97 97 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 6451 1 447 . 1 1 97 97 LEU CA C 13 53.37 0.2 . 1 . . . . . . . . 6451 1 448 . 1 1 97 97 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 6451 1 449 . 1 1 97 97 LEU CB C 13 43.47 0.2 . 1 . . . . . . . . 6451 1 450 . 1 1 98 98 ALA H H 1 9.182 0.02 . 1 . . . . . . . . 6451 1 451 . 1 1 98 98 ALA N N 15 125.3 0.2 . 1 . . . . . . . . 6451 1 452 . 1 1 98 98 ALA CA C 13 50.36 0.2 . 1 . . . . . . . . 6451 1 453 . 1 1 98 98 ALA C C 13 175.5 0.2 . 1 . . . . . . . . 6451 1 454 . 1 1 98 98 ALA CB C 13 23.21 0.2 . 1 . . . . . . . . 6451 1 455 . 1 1 99 99 LEU H H 1 8.889 0.02 . 1 . . . . . . . . 6451 1 456 . 1 1 99 99 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 6451 1 457 . 1 1 99 99 LEU CA C 13 53.81 0.2 . 1 . . . . . . . . 6451 1 458 . 1 1 99 99 LEU C C 13 173.8 0.2 . 1 . . . . . . . . 6451 1 459 . 1 1 99 99 LEU CB C 13 47.04 0.2 . 1 . . . . . . . . 6451 1 460 . 1 1 100 100 ARG H H 1 9.104 0.02 . 1 . . . . . . . . 6451 1 461 . 1 1 100 100 ARG N N 15 128.3 0.2 . 1 . . . . . . . . 6451 1 462 . 1 1 100 100 ARG CA C 13 55.71 0.2 . 1 . . . . . . . . 6451 1 463 . 1 1 100 100 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 464 . 1 1 100 100 ARG CB C 13 30.65 0.2 . 1 . . . . . . . . 6451 1 465 . 1 1 101 101 PHE H H 1 9.180 0.02 . 1 . . . . . . . . 6451 1 466 . 1 1 101 101 PHE N N 15 128.1 0.2 . 1 . . . . . . . . 6451 1 467 . 1 1 101 101 PHE CA C 13 53.85 0.2 . 1 . . . . . . . . 6451 1 468 . 1 1 101 101 PHE C C 13 171.5 0.2 . 1 . . . . . . . . 6451 1 469 . 1 1 101 101 PHE CB C 13 39.89 0.2 . 1 . . . . . . . . 6451 1 470 . 1 1 102 102 PRO CA C 13 62.15 0.2 . 1 . . . . . . . . 6451 1 471 . 1 1 102 102 PRO C C 13 176.0 0.2 . 1 . . . . . . . . 6451 1 472 . 1 1 102 102 PRO CB C 13 31.16 0.2 . 1 . . . . . . . . 6451 1 473 . 1 1 103 103 LEU H H 1 7.532 0.02 . 1 . . . . . . . . 6451 1 474 . 1 1 103 103 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 6451 1 475 . 1 1 103 103 LEU CA C 13 54.91 0.2 . 1 . . . . . . . . 6451 1 476 . 1 1 103 103 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 6451 1 477 . 1 1 103 103 LEU CB C 13 41.26 0.2 . 1 . . . . . . . . 6451 1 478 . 1 1 104 104 ASP H H 1 8.171 0.02 . 1 . . . . . . . . 6451 1 479 . 1 1 104 104 ASP N N 15 121.7 0.2 . 1 . . . . . . . . 6451 1 480 . 1 1 104 104 ASP CA C 13 56.19 0.2 . 1 . . . . . . . . 6451 1 481 . 1 1 104 104 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 6451 1 482 . 1 1 104 104 ASP CB C 13 39.18 0.2 . 1 . . . . . . . . 6451 1 483 . 1 1 105 105 ASP H H 1 8.665 0.02 . 1 . . . . . . . . 6451 1 484 . 1 1 105 105 ASP N N 15 120.6 0.2 . 1 . . . . . . . . 6451 1 485 . 1 1 105 105 ASP CA C 13 54.20 0.2 . 1 . . . . . . . . 6451 1 486 . 1 1 105 105 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 487 . 1 1 105 105 ASP CB C 13 39.37 0.2 . 1 . . . . . . . . 6451 1 488 . 1 1 106 106 ALA H H 1 7.329 0.2 . 1 . . . . . . . . 6451 1 489 . 1 1 106 106 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 6451 1 490 . 1 1 106 106 ALA CA C 13 53.43 0.2 . 1 . . . . . . . . 6451 1 491 . 1 1 106 106 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 6451 1 492 . 1 1 106 106 ALA CB C 13 20.44 0.2 . 1 . . . . . . . . 6451 1 493 . 1 1 107 107 THR H H 1 6.713 0.03 . 1 . . . . . . . . 6451 1 494 . 1 1 107 107 THR N N 15 108.9 0.2 . 1 . . . . . . . . 6451 1 495 . 1 1 107 107 THR CA C 13 57.81 0.2 . 1 . . . . . . . . 6451 1 496 . 1 1 107 107 THR C C 13 177.3 0.2 . 1 . . . . . . . . 6451 1 497 . 1 1 107 107 THR CB C 13 69.86 0.2 . 1 . . . . . . . . 6451 1 498 . 1 1 108 108 PRO CA C 13 65.26 0.2 . 1 . . . . . . . . 6451 1 499 . 1 1 108 108 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 6451 1 500 . 1 1 108 108 PRO CB C 13 30.68 0.2 . 1 . . . . . . . . 6451 1 501 . 1 1 109 109 GLU H H 1 8.638 0.02 . 1 . . . . . . . . 6451 1 502 . 1 1 109 109 GLU N N 15 118.0 0.2 . 1 . . . . . . . . 6451 1 503 . 1 1 109 109 GLU CA C 13 60.01 0.2 . 1 . . . . . . . . 6451 1 504 . 1 1 109 109 GLU C C 13 178.7 0.2 . 1 . . . . . . . . 6451 1 505 . 1 1 109 109 GLU CB C 13 27.62 0.2 . 1 . . . . . . . . 6451 1 506 . 1 1 110 110 LYS H H 1 7.876 0.02 . 1 . . . . . . . . 6451 1 507 . 1 1 110 110 LYS N N 15 121.0 0.2 . 1 . . . . . . . . 6451 1 508 . 1 1 110 110 LYS CA C 13 59.35 0.2 . 1 . . . . . . . . 6451 1 509 . 1 1 110 110 LYS C C 13 178.9 0.2 . 1 . . . . . . . . 6451 1 510 . 1 1 110 110 LYS CB C 13 32.45 0.2 . 1 . . . . . . . . 6451 1 511 . 1 1 111 111 LEU H H 1 7.744 0.02 . 1 . . . . . . . . 6451 1 512 . 1 1 111 111 LEU N N 15 120.2 0.2 . 1 . . . . . . . . 6451 1 513 . 1 1 111 111 LEU CA C 13 57.34 0.2 . 1 . . . . . . . . 6451 1 514 . 1 1 111 111 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 6451 1 515 . 1 1 111 111 LEU CB C 13 39.00 0.2 . 1 . . . . . . . . 6451 1 516 . 1 1 112 112 GLU H H 1 8.235 0.02 . 1 . . . . . . . . 6451 1 517 . 1 1 112 112 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 6451 1 518 . 1 1 112 112 GLU CA C 13 59.70 0.2 . 1 . . . . . . . . 6451 1 519 . 1 1 112 112 GLU C C 13 178.3 0.2 . 1 . . . . . . . . 6451 1 520 . 1 1 112 112 GLU CB C 13 29.12 0.2 . 1 . . . . . . . . 6451 1 521 . 1 1 113 113 ASN H H 1 7.945 0.02 . 1 . . . . . . . . 6451 1 522 . 1 1 113 113 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 6451 1 523 . 1 1 113 113 ASN CA C 13 56.11 0.2 . 1 . . . . . . . . 6451 1 524 . 1 1 113 113 ASN C C 13 177.7 0.2 . 1 . . . . . . . . 6451 1 525 . 1 1 113 113 ASN CB C 13 37.98 0.2 . 1 . . . . . . . . 6451 1 526 . 1 1 114 114 GLU H H 1 8.080 0.02 . 1 . . . . . . . . 6451 1 527 . 1 1 114 114 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 6451 1 528 . 1 1 114 114 GLU CA C 13 58.02 0.2 . 1 . . . . . . . . 6451 1 529 . 1 1 114 114 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 6451 1 530 . 1 1 114 114 GLU CB C 13 27.80 0.2 . 1 . . . . . . . . 6451 1 531 . 1 1 115 115 ILE H H 1 8.354 0.02 . 1 . . . . . . . . 6451 1 532 . 1 1 115 115 ILE N N 15 120.3 0.2 . 1 . . . . . . . . 6451 1 533 . 1 1 115 115 ILE CA C 13 65.57 0.2 . 1 . . . . . . . . 6451 1 534 . 1 1 115 115 ILE C C 13 178.1 0.2 . 1 . . . . . . . . 6451 1 535 . 1 1 115 115 ILE CB C 13 36.08 0.2 . 1 . . . . . . . . 6451 1 536 . 1 1 116 116 GLU H H 1 8.011 0.02 . 1 . . . . . . . . 6451 1 537 . 1 1 116 116 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 6451 1 538 . 1 1 116 116 GLU CA C 13 59.35 0.2 . 1 . . . . . . . . 6451 1 539 . 1 1 116 116 GLU C C 13 178.4 0.2 . 1 . . . . . . . . 6451 1 540 . 1 1 116 116 GLU CB C 13 27.92 0.2 . 1 . . . . . . . . 6451 1 541 . 1 1 117 117 VAL H H 1 7.549 0.02 . 1 . . . . . . . . 6451 1 542 . 1 1 117 117 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 6451 1 543 . 1 1 117 117 VAL CA C 13 66.30 0.2 . 1 . . . . . . . . 6451 1 544 . 1 1 117 117 VAL C C 13 180.0 0.2 . 1 . . . . . . . . 6451 1 545 . 1 1 117 117 VAL CB C 13 30.21 0.2 . 1 . . . . . . . . 6451 1 546 . 1 1 118 118 VAL H H 1 7.613 0.02 . 1 . . . . . . . . 6451 1 547 . 1 1 118 118 VAL N N 15 123.6 0.2 . 1 . . . . . . . . 6451 1 548 . 1 1 118 118 VAL CA C 13 67.72 0.2 . 1 . . . . . . . . 6451 1 549 . 1 1 118 118 VAL C C 13 177.4 0.2 . 1 . . . . . . . . 6451 1 550 . 1 1 118 118 VAL CB C 13 30.02 0.2 . 1 . . . . . . . . 6451 1 551 . 1 1 119 119 VAL H H 1 8.761 0.02 . 1 . . . . . . . . 6451 1 552 . 1 1 119 119 VAL N N 15 122.2 0.2 . 1 . . . . . . . . 6451 1 553 . 1 1 119 119 VAL CA C 13 66.70 0.2 . 1 . . . . . . . . 6451 1 554 . 1 1 119 119 VAL C C 13 177.8 0.2 . 1 . . . . . . . . 6451 1 555 . 1 1 119 119 VAL CB C 13 30.26 0.2 . 1 . . . . . . . . 6451 1 556 . 1 1 120 120 LYS H H 1 8.647 0.02 . 1 . . . . . . . . 6451 1 557 . 1 1 120 120 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 6451 1 558 . 1 1 120 120 LYS CA C 13 58.19 0.2 . 1 . . . . . . . . 6451 1 559 . 1 1 120 120 LYS C C 13 180.2 0.2 . 1 . . . . . . . . 6451 1 560 . 1 1 120 120 LYS CB C 13 30.35 0.2 . 1 . . . . . . . . 6451 1 561 . 1 1 121 121 SER H H 1 7.857 0.02 . 1 . . . . . . . . 6451 1 562 . 1 1 121 121 SER N N 15 116.4 0.2 . 1 . . . . . . . . 6451 1 563 . 1 1 121 121 SER CA C 13 62.48 0.2 . 1 . . . . . . . . 6451 1 564 . 1 1 121 121 SER C C 13 176.2 0.2 . 1 . . . . . . . . 6451 1 565 . 1 1 121 121 SER CB C 13 63.25 0.2 . 1 . . . . . . . . 6451 1 566 . 1 1 122 122 MET H H 1 8.395 0.02 . 1 . . . . . . . . 6451 1 567 . 1 1 122 122 MET N N 15 124.3 0.2 . 1 . . . . . . . . 6451 1 568 . 1 1 122 122 MET CA C 13 59.82 0.2 . 1 . . . . . . . . 6451 1 569 . 1 1 122 122 MET C C 13 176.7 0.2 . 1 . . . . . . . . 6451 1 570 . 1 1 122 122 MET CB C 13 32.88 0.2 . 1 . . . . . . . . 6451 1 571 . 1 1 123 123 GLU H H 1 8.503 0.02 . 1 . . . . . . . . 6451 1 572 . 1 1 123 123 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 6451 1 573 . 1 1 123 123 GLU CA C 13 59.51 0.2 . 1 . . . . . . . . 6451 1 574 . 1 1 123 123 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 6451 1 575 . 1 1 123 123 GLU CB C 13 28.94 0.2 . 1 . . . . . . . . 6451 1 576 . 1 1 124 124 ASN H H 1 7.971 0.02 . 1 . . . . . . . . 6451 1 577 . 1 1 124 124 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 6451 1 578 . 1 1 124 124 ASN CA C 13 56.11 0.2 . 1 . . . . . . . . 6451 1 579 . 1 1 124 124 ASN C C 13 177.1 0.2 . 1 . . . . . . . . 6451 1 580 . 1 1 124 124 ASN CB C 13 37.66 0.2 . 1 . . . . . . . . 6451 1 581 . 1 1 125 125 LEU H H 1 8.305 0.02 . 1 . . . . . . . . 6451 1 582 . 1 1 125 125 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 6451 1 583 . 1 1 125 125 LEU CA C 13 57.79 0.2 . 1 . . . . . . . . 6451 1 584 . 1 1 125 125 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 6451 1 585 . 1 1 125 125 LEU CB C 13 38.42 0.2 . 1 . . . . . . . . 6451 1 586 . 1 1 126 126 TYR H H 1 8.936 0.02 . 1 . . . . . . . . 6451 1 587 . 1 1 126 126 TYR N N 15 117.7 0.2 . 1 . . . . . . . . 6451 1 588 . 1 1 126 126 TYR CA C 13 59.29 0.2 . 1 . . . . . . . . 6451 1 589 . 1 1 126 126 TYR C C 13 179.2 0.2 . 1 . . . . . . . . 6451 1 590 . 1 1 126 126 TYR CB C 13 35.83 0.2 . 1 . . . . . . . . 6451 1 591 . 1 1 127 127 LEU H H 1 7.771 0.02 . 1 . . . . . . . . 6451 1 592 . 1 1 127 127 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 6451 1 593 . 1 1 127 127 LEU CA C 13 58.15 0.2 . 1 . . . . . . . . 6451 1 594 . 1 1 127 127 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 6451 1 595 . 1 1 127 127 LEU CB C 13 40.77 0.2 . 1 . . . . . . . . 6451 1 596 . 1 1 128 128 VAL H H 1 8.014 0.02 . 1 . . . . . . . . 6451 1 597 . 1 1 128 128 VAL N N 15 120.8 0.2 . 1 . . . . . . . . 6451 1 598 . 1 1 128 128 VAL CA C 13 65.95 0.2 . 1 . . . . . . . . 6451 1 599 . 1 1 128 128 VAL C C 13 179.8 0.2 . 1 . . . . . . . . 6451 1 600 . 1 1 128 128 VAL CB C 13 30.97 0.2 . 1 . . . . . . . . 6451 1 601 . 1 1 129 129 LEU H H 1 8.557 0.02 . 1 . . . . . . . . 6451 1 602 . 1 1 129 129 LEU N N 15 119.4 0.2 . 1 . . . . . . . . 6451 1 603 . 1 1 129 129 LEU CA C 13 57.72 0.2 . 1 . . . . . . . . 6451 1 604 . 1 1 129 129 LEU C C 13 179.8 0.2 . 1 . . . . . . . . 6451 1 605 . 1 1 129 129 LEU CB C 13 38.62 0.2 . 1 . . . . . . . . 6451 1 606 . 1 1 130 130 HIS H H 1 8.678 0.02 . 1 . . . . . . . . 6451 1 607 . 1 1 130 130 HIS N N 15 120.9 0.2 . 1 . . . . . . . . 6451 1 608 . 1 1 130 130 HIS CA C 13 59.09 0.2 . 1 . . . . . . . . 6451 1 609 . 1 1 130 130 HIS C C 13 179.7 0.2 . 1 . . . . . . . . 6451 1 610 . 1 1 130 130 HIS CB C 13 28.76 0.2 . 1 . . . . . . . . 6451 1 611 . 1 1 131 131 ASN H H 1 8.297 0.02 . 1 . . . . . . . . 6451 1 612 . 1 1 131 131 ASN N N 15 119.5 0.2 . 1 . . . . . . . . 6451 1 613 . 1 1 131 131 ASN CA C 13 55.12 0.2 . 1 . . . . . . . . 6451 1 614 . 1 1 131 131 ASN C C 13 176.3 0.2 . 1 . . . . . . . . 6451 1 615 . 1 1 131 131 ASN CB C 13 37.44 0.2 . 1 . . . . . . . . 6451 1 616 . 1 1 132 132 GLN H H 1 7.588 0.02 . 1 . . . . . . . . 6451 1 617 . 1 1 132 132 GLN N N 15 117.2 0.2 . 1 . . . . . . . . 6451 1 618 . 1 1 132 132 GLN CA C 13 54.93 0.2 . 1 . . . . . . . . 6451 1 619 . 1 1 132 132 GLN C C 13 175.8 0.2 . 1 . . . . . . . . 6451 1 620 . 1 1 132 132 GLN CB C 13 28.70 0.2 . 1 . . . . . . . . 6451 1 621 . 1 1 133 133 GLY H H 1 7.813 0.02 . 1 . . . . . . . . 6451 1 622 . 1 1 133 133 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 6451 1 623 . 1 1 133 133 GLY CA C 13 45.32 0.2 . 1 . . . . . . . . 6451 1 624 . 1 1 133 133 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 6451 1 625 . 1 1 134 134 ILE H H 1 8.024 0.02 . 1 . . . . . . . . 6451 1 626 . 1 1 134 134 ILE N N 15 122.8 0.2 . 1 . . . . . . . . 6451 1 627 . 1 1 134 134 ILE CA C 13 60.12 0.2 . 1 . . . . . . . . 6451 1 628 . 1 1 134 134 ILE C C 13 174.5 0.2 . 1 . . . . . . . . 6451 1 629 . 1 1 134 134 ILE CB C 13 38.42 0.2 . 1 . . . . . . . . 6451 1 630 . 1 1 135 135 THR H H 1 8.149 0.02 . 1 . . . . . . . . 6451 1 631 . 1 1 135 135 THR N N 15 122.2 0.2 . 1 . . . . . . . . 6451 1 632 . 1 1 135 135 THR CA C 13 60.52 0.2 . 1 . . . . . . . . 6451 1 633 . 1 1 135 135 THR C C 13 174.3 0.2 . 1 . . . . . . . . 6451 1 634 . 1 1 135 135 THR CB C 13 69.86 0.2 . 1 . . . . . . . . 6451 1 635 . 1 1 136 136 LEU H H 1 9.018 0.02 . 1 . . . . . . . . 6451 1 636 . 1 1 136 136 LEU N N 15 126.7 0.2 . 1 . . . . . . . . 6451 1 637 . 1 1 136 136 LEU CA C 13 53.62 0.2 . 1 . . . . . . . . 6451 1 638 . 1 1 136 136 LEU C C 13 177.0 0.2 . 1 . . . . . . . . 6451 1 639 . 1 1 136 136 LEU CB C 13 40.60 0.2 . 1 . . . . . . . . 6451 1 640 . 1 1 137 137 GLU H H 1 8.856 0.02 . 1 . . . . . . . . 6451 1 641 . 1 1 137 137 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 6451 1 642 . 1 1 137 137 GLU CA C 13 56.24 0.2 . 1 . . . . . . . . 6451 1 643 . 1 1 137 137 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 6451 1 644 . 1 1 137 137 GLU CB C 13 29.32 0.2 . 1 . . . . . . . . 6451 1 645 . 1 1 138 138 ASN H H 1 8.251 0.02 . 1 . . . . . . . . 6451 1 646 . 1 1 138 138 ASN N N 15 119.3 0.2 . 1 . . . . . . . . 6451 1 647 . 1 1 138 138 ASN CA C 13 52.95 0.2 . 1 . . . . . . . . 6451 1 648 . 1 1 138 138 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 6451 1 649 . 1 1 138 138 ASN CB C 13 38.30 0.2 . 1 . . . . . . . . 6451 1 650 . 1 1 139 139 GLU H H 1 8.299 0.02 . 1 . . . . . . . . 6451 1 651 . 1 1 139 139 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 6451 1 652 . 1 1 139 139 GLU CA C 13 56.67 0.2 . 1 . . . . . . . . 6451 1 653 . 1 1 139 139 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 654 . 1 1 139 139 GLU CB C 13 29.14 0.2 . 1 . . . . . . . . 6451 1 655 . 1 1 140 140 HIS H H 1 8.212 0.02 . 1 . . . . . . . . 6451 1 656 . 1 1 140 140 HIS N N 15 119.3 0.2 . 1 . . . . . . . . 6451 1 657 . 1 1 140 140 HIS CA C 13 55.72 0.2 . 1 . . . . . . . . 6451 1 658 . 1 1 140 140 HIS C C 13 175.1 0.2 . 1 . . . . . . . . 6451 1 659 . 1 1 140 140 HIS CB C 13 29.05 0.2 . 1 . . . . . . . . 6451 1 660 . 1 1 141 141 MET H H 1 8.023 0.02 . 1 . . . . . . . . 6451 1 661 . 1 1 141 141 MET N N 15 121.2 0.2 . 1 . . . . . . . . 6451 1 662 . 1 1 141 141 MET CA C 13 55.29 0.2 . 1 . . . . . . . . 6451 1 663 . 1 1 141 141 MET C C 13 175.8 0.2 . 1 . . . . . . . . 6451 1 664 . 1 1 141 141 MET CB C 13 32.03 0.2 . 1 . . . . . . . . 6451 1 665 . 1 1 142 142 LYS H H 1 8.155 0.02 . 1 . . . . . . . . 6451 1 666 . 1 1 142 142 LYS N N 15 123.3 0.2 . 1 . . . . . . . . 6451 1 667 . 1 1 142 142 LYS CA C 13 55.76 0.2 . 1 . . . . . . . . 6451 1 668 . 1 1 142 142 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 669 . 1 1 142 142 LYS CB C 13 31.94 0.2 . 1 . . . . . . . . 6451 1 670 . 1 1 143 143 ILE H H 1 8.112 0.02 . 1 . . . . . . . . 6451 1 671 . 1 1 143 143 ILE N N 15 123.3 0.2 . 1 . . . . . . . . 6451 1 672 . 1 1 143 143 ILE CA C 13 60.77 0.2 . 1 . . . . . . . . 6451 1 673 . 1 1 143 143 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 6451 1 674 . 1 1 143 143 ILE CB C 13 37.59 0.2 . 1 . . . . . . . . 6451 1 675 . 1 1 144 144 GLU H H 1 8.410 0.02 . 1 . . . . . . . . 6451 1 676 . 1 1 144 144 GLU N N 15 125.0 0.2 . 1 . . . . . . . . 6451 1 677 . 1 1 144 144 GLU CA C 13 56.18 0.2 . 1 . . . . . . . . 6451 1 678 . 1 1 144 144 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 6451 1 679 . 1 1 144 144 GLU CB C 13 29.16 0.2 . 1 . . . . . . . . 6451 1 680 . 1 1 145 145 GLU H H 1 8.255 0.02 . 1 . . . . . . . . 6451 1 681 . 1 1 145 145 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 6451 1 682 . 1 1 145 145 GLU CA C 13 56.21 0.2 . 1 . . . . . . . . 6451 1 683 . 1 1 145 145 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 684 . 1 1 145 145 GLU CB C 13 29.01 0.2 . 1 . . . . . . . . 6451 1 685 . 1 1 146 146 ILE H H 1 8.074 0.02 . 1 . . . . . . . . 6451 1 686 . 1 1 146 146 ILE N N 15 122.3 0.2 . 1 . . . . . . . . 6451 1 687 . 1 1 146 146 ILE CA C 13 60.81 0.2 . 1 . . . . . . . . 6451 1 688 . 1 1 146 146 ILE C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 689 . 1 1 146 146 ILE CB C 13 37.65 0.2 . 1 . . . . . . . . 6451 1 690 . 1 1 147 147 SER H H 1 8.319 0.02 . 1 . . . . . . . . 6451 1 691 . 1 1 147 147 SER N N 15 119.9 0.2 . 1 . . . . . . . . 6451 1 692 . 1 1 147 147 SER CA C 13 57.82 0.2 . 1 . . . . . . . . 6451 1 693 . 1 1 147 147 SER C C 13 174.7 0.2 . 1 . . . . . . . . 6451 1 694 . 1 1 147 147 SER CB C 13 63.22 0.2 . 1 . . . . . . . . 6451 1 695 . 1 1 148 148 SER H H 1 8.394 0.02 . 1 . . . . . . . . 6451 1 696 . 1 1 148 148 SER N N 15 118.8 0.2 . 1 . . . . . . . . 6451 1 697 . 1 1 148 148 SER CA C 13 57.98 0.2 . 1 . . . . . . . . 6451 1 698 . 1 1 148 148 SER C C 13 174.8 0.2 . 1 . . . . . . . . 6451 1 699 . 1 1 148 148 SER CB C 13 63.02 0.2 . 1 . . . . . . . . 6451 1 700 . 1 1 149 149 SER H H 1 8.267 0.02 . 1 . . . . . . . . 6451 1 701 . 1 1 149 149 SER N N 15 117.9 0.2 . 1 . . . . . . . . 6451 1 702 . 1 1 149 149 SER CA C 13 58.17 0.2 . 1 . . . . . . . . 6451 1 703 . 1 1 149 149 SER C C 13 174.3 0.2 . 1 . . . . . . . . 6451 1 704 . 1 1 149 149 SER CB C 13 63.19 0.2 . 1 . . . . . . . . 6451 1 705 . 1 1 150 150 ASP H H 1 8.163 0.02 . 1 . . . . . . . . 6451 1 706 . 1 1 150 150 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 6451 1 707 . 1 1 150 150 ASP CA C 13 54.14 0.2 . 1 . . . . . . . . 6451 1 708 . 1 1 150 150 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 6451 1 709 . 1 1 150 150 ASP CB C 13 40.42 0.2 . 1 . . . . . . . . 6451 1 710 . 1 1 151 151 ASN H H 1 8.158 0.02 . 1 . . . . . . . . 6451 1 711 . 1 1 151 151 ASN N N 15 119.1 0.2 . 1 . . . . . . . . 6451 1 712 . 1 1 151 151 ASN CA C 13 53.03 0.2 . 1 . . . . . . . . 6451 1 713 . 1 1 151 151 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 6451 1 714 . 1 1 151 151 ASN CB C 13 38.03 0.2 . 1 . . . . . . . . 6451 1 715 . 1 1 152 152 LYS H H 1 8.083 0.02 . 1 . . . . . . . . 6451 1 716 . 1 1 152 152 LYS N N 15 121.1 0.2 . 1 . . . . . . . . 6451 1 717 . 1 1 152 152 LYS CA C 13 56.24 0.2 . 1 . . . . . . . . 6451 1 718 . 1 1 152 152 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 6451 1 719 . 1 1 152 152 LYS CB C 13 31.65 0.2 . 1 . . . . . . . . 6451 1 720 . 1 1 153 153 HIS H H 1 8.286 0.02 . 1 . . . . . . . . 6451 1 721 . 1 1 153 153 HIS N N 15 119.0 0.2 . 1 . . . . . . . . 6451 1 722 . 1 1 153 153 HIS CA C 13 55.42 0.2 . 1 . . . . . . . . 6451 1 723 . 1 1 153 153 HIS C C 13 174.6 0.2 . 1 . . . . . . . . 6451 1 724 . 1 1 153 153 HIS CB C 13 28.26 0.2 . 1 . . . . . . . . 6451 1 725 . 1 1 154 154 TYR H H 1 7.700 0.02 . 1 . . . . . . . . 6451 1 726 . 1 1 154 154 TYR N N 15 120.0 0.2 . 1 . . . . . . . . 6451 1 727 . 1 1 154 154 TYR CA C 13 54.95 0.2 . 1 . . . . . . . . 6451 1 728 . 1 1 154 154 TYR C C 13 175.1 0.2 . 1 . . . . . . . . 6451 1 729 . 1 1 154 154 TYR CB C 13 32.12 0.2 . 1 . . . . . . . . 6451 1 730 . 1 1 155 155 TYR H H 1 7.914 0.02 . 1 . . . . . . . . 6451 1 731 . 1 1 155 155 TYR N N 15 121.9 0.2 . 1 . . . . . . . . 6451 1 732 . 1 1 155 155 TYR CA C 13 57.11 0.2 . 1 . . . . . . . . 6451 1 733 . 1 1 155 155 TYR C C 13 175.2 0.2 . 1 . . . . . . . . 6451 1 734 . 1 1 155 155 TYR CB C 13 38.82 0.2 . 1 . . . . . . . . 6451 1 735 . 1 1 156 156 ALA H H 1 8.026 0.02 . 1 . . . . . . . . 6451 1 736 . 1 1 156 156 ALA N N 15 126.2 0.2 . 1 . . . . . . . . 6451 1 737 . 1 1 156 156 ALA CA C 13 51.99 0.2 . 1 . . . . . . . . 6451 1 738 . 1 1 156 156 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 6451 1 739 . 1 1 156 156 ALA CB C 13 18.43 0.2 . 1 . . . . . . . . 6451 1 740 . 1 1 157 157 GLY H H 1 7.659 0.02 . 1 . . . . . . . . 6451 1 741 . 1 1 157 157 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 6451 1 742 . 1 1 157 157 GLY CA C 13 44.98 0.2 . 1 . . . . . . . . 6451 1 743 . 1 1 157 157 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 6451 1 744 . 1 1 158 158 ARG H H 1 7.648 0.02 . 1 . . . . . . . . 6451 1 745 . 1 1 158 158 ARG N N 15 125.6 0.2 . 1 . . . . . . . . 6451 1 746 . 1 1 158 158 ARG CA C 13 56.87 0.2 . 1 . . . . . . . . 6451 1 747 . 1 1 158 158 ARG C C 13 171.1 0.2 . 1 . . . . . . . . 6451 1 748 . 1 1 158 158 ARG CB C 13 30.35 0.2 . 1 . . . . . . . . 6451 1 stop_ save_