data_50970 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50970 _Entry.Title ; MERS-CoV macro domain free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-11 _Entry.Accession_date 2021-06-11 _Entry.Last_release_date 2021-06-11 _Entry.Original_release_date 2021-06-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'MERS-CoV macro domain free state' _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.ORCID _Entry_author.Entry_ID 1 Angelo Gallo . . . 0000-0001-9778-4822 50970 2 Periklis Charalampous . . . 0000-0002-7188-0573 50970 3 Aikaterini Tsika . C. . 0000-0002-3723-0606 50970 4 Nikolaos Fourkiotis . K. . 0000-0002-5197-4142 50970 5 Georgios Spyroulias . A. . 0000-0003-1799-3312 50970 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Spyroulias Group University of Patras' . 50970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 50970 '15N chemical shifts' 169 50970 '1H chemical shifts' 169 50970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-01 2021-06-11 update BMRB 'update entry citation' 50970 1 . . 2021-11-03 2021-06-11 original author 'original release' 50970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50969 'SARS-CoV macro domain bound to ADPr' 50970 BMRB 50971 'MERS-CoV macro domain bound to ADPr' 50970 BMRB 50993 'SARS-CoV macro domain in the free state' 50970 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50970 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34686999 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR study of macro domains (MDs) from betacoronavirus: backbone resonance assignments of SARS-CoV and MERS-CoV MDs in the free and the ADPr-bound state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9 _Citation.Page_last 16 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aikaterini Tsika . C. . . 50970 1 2 Nikolaos Fourkiotis . K. . . 50970 1 3 Periklis Charalampous . . . . 50970 1 4 Angelo Gallo . . . . 50970 1 5 Georgios Spyroulias . A. . . 50970 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ADPr 50970 1 Coronaviruses 50970 1 MERS-CoV 50970 1 'Macro Domain' 50970 1 SARS-CoV 50970 1 'Solution NMR' 50970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50970 _Assembly.ID 1 _Assembly.Name 'MERS-CoV MD free' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 MERS-CoV 1 $entity_1 . . yes native no no . . . 50970 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'De-marylation activity' 50970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MNVDPLSNFEHKVITECVTI VLGDAIQVAKCYGESVLVNA ANTHLKHGGGIAGAINAASK GAVQKESDEYILAKGPLQVG DSVLLQGHSLAKNILHVVGP DARAKQDVSLLSKCYKAMNA YPLVVTPLVSAGIFGVKPAV SFDYLIREAKTRVLVVVNSQ DVYKSLTIVDIPQLELEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M 1 is the first residue in the assignment file' _Entity.Polymer_author_seq_details ; The native sequence start with N2 and the native sequence start with N254. We have His-tag the sequence LELEHHHHHH does not belong to the native sequence. ; _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Viral Macro Domain Demarylation activity' 50970 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50970 1 2 . ASN . 50970 1 3 . VAL . 50970 1 4 . ASP . 50970 1 5 . PRO . 50970 1 6 . LEU . 50970 1 7 . SER . 50970 1 8 . ASN . 50970 1 9 . PHE . 50970 1 10 . GLU . 50970 1 11 . HIS . 50970 1 12 . LYS . 50970 1 13 . VAL . 50970 1 14 . ILE . 50970 1 15 . THR . 50970 1 16 . GLU . 50970 1 17 . CYS . 50970 1 18 . VAL . 50970 1 19 . THR . 50970 1 20 . ILE . 50970 1 21 . VAL . 50970 1 22 . LEU . 50970 1 23 . GLY . 50970 1 24 . ASP . 50970 1 25 . ALA . 50970 1 26 . ILE . 50970 1 27 . GLN . 50970 1 28 . VAL . 50970 1 29 . ALA . 50970 1 30 . LYS . 50970 1 31 . CYS . 50970 1 32 . TYR . 50970 1 33 . GLY . 50970 1 34 . GLU . 50970 1 35 . SER . 50970 1 36 . VAL . 50970 1 37 . LEU . 50970 1 38 . VAL . 50970 1 39 . ASN . 50970 1 40 . ALA . 50970 1 41 . ALA . 50970 1 42 . ASN . 50970 1 43 . THR . 50970 1 44 . HIS . 50970 1 45 . LEU . 50970 1 46 . LYS . 50970 1 47 . HIS . 50970 1 48 . GLY . 50970 1 49 . GLY . 50970 1 50 . GLY . 50970 1 51 . ILE . 50970 1 52 . ALA . 50970 1 53 . GLY . 50970 1 54 . ALA . 50970 1 55 . ILE . 50970 1 56 . ASN . 50970 1 57 . ALA . 50970 1 58 . ALA . 50970 1 59 . SER . 50970 1 60 . LYS . 50970 1 61 . GLY . 50970 1 62 . ALA . 50970 1 63 . VAL . 50970 1 64 . GLN . 50970 1 65 . LYS . 50970 1 66 . GLU . 50970 1 67 . SER . 50970 1 68 . ASP . 50970 1 69 . GLU . 50970 1 70 . TYR . 50970 1 71 . ILE . 50970 1 72 . LEU . 50970 1 73 . ALA . 50970 1 74 . LYS . 50970 1 75 . GLY . 50970 1 76 . PRO . 50970 1 77 . LEU . 50970 1 78 . GLN . 50970 1 79 . VAL . 50970 1 80 . GLY . 50970 1 81 . ASP . 50970 1 82 . SER . 50970 1 83 . VAL . 50970 1 84 . LEU . 50970 1 85 . LEU . 50970 1 86 . GLN . 50970 1 87 . GLY . 50970 1 88 . HIS . 50970 1 89 . SER . 50970 1 90 . LEU . 50970 1 91 . ALA . 50970 1 92 . LYS . 50970 1 93 . ASN . 50970 1 94 . ILE . 50970 1 95 . LEU . 50970 1 96 . HIS . 50970 1 97 . VAL . 50970 1 98 . VAL . 50970 1 99 . GLY . 50970 1 100 . PRO . 50970 1 101 . ASP . 50970 1 102 . ALA . 50970 1 103 . ARG . 50970 1 104 . ALA . 50970 1 105 . LYS . 50970 1 106 . GLN . 50970 1 107 . ASP . 50970 1 108 . VAL . 50970 1 109 . SER . 50970 1 110 . LEU . 50970 1 111 . LEU . 50970 1 112 . SER . 50970 1 113 . LYS . 50970 1 114 . CYS . 50970 1 115 . TYR . 50970 1 116 . LYS . 50970 1 117 . ALA . 50970 1 118 . MET . 50970 1 119 . ASN . 50970 1 120 . ALA . 50970 1 121 . TYR . 50970 1 122 . PRO . 50970 1 123 . LEU . 50970 1 124 . VAL . 50970 1 125 . VAL . 50970 1 126 . THR . 50970 1 127 . PRO . 50970 1 128 . LEU . 50970 1 129 . VAL . 50970 1 130 . SER . 50970 1 131 . ALA . 50970 1 132 . GLY . 50970 1 133 . ILE . 50970 1 134 . PHE . 50970 1 135 . GLY . 50970 1 136 . VAL . 50970 1 137 . LYS . 50970 1 138 . PRO . 50970 1 139 . ALA . 50970 1 140 . VAL . 50970 1 141 . SER . 50970 1 142 . PHE . 50970 1 143 . ASP . 50970 1 144 . TYR . 50970 1 145 . LEU . 50970 1 146 . ILE . 50970 1 147 . ARG . 50970 1 148 . GLU . 50970 1 149 . ALA . 50970 1 150 . LYS . 50970 1 151 . THR . 50970 1 152 . ARG . 50970 1 153 . VAL . 50970 1 154 . LEU . 50970 1 155 . VAL . 50970 1 156 . VAL . 50970 1 157 . VAL . 50970 1 158 . ASN . 50970 1 159 . SER . 50970 1 160 . GLN . 50970 1 161 . ASP . 50970 1 162 . VAL . 50970 1 163 . TYR . 50970 1 164 . LYS . 50970 1 165 . SER . 50970 1 166 . LEU . 50970 1 167 . THR . 50970 1 168 . ILE . 50970 1 169 . VAL . 50970 1 170 . ASP . 50970 1 171 . ILE . 50970 1 172 . PRO . 50970 1 173 . GLN . 50970 1 174 . LEU . 50970 1 175 . GLU . 50970 1 176 . LEU . 50970 1 177 . GLU . 50970 1 178 . HIS . 50970 1 179 . HIS . 50970 1 180 . HIS . 50970 1 181 . HIS . 50970 1 182 . HIS . 50970 1 183 . HIS . 50970 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 50970 1 . ASN 2 2 50970 1 . VAL 3 3 50970 1 . ASP 4 4 50970 1 . PRO 5 5 50970 1 . LEU 6 6 50970 1 . SER 7 7 50970 1 . ASN 8 8 50970 1 . PHE 9 9 50970 1 . GLU 10 10 50970 1 . HIS 11 11 50970 1 . LYS 12 12 50970 1 . VAL 13 13 50970 1 . ILE 14 14 50970 1 . THR 15 15 50970 1 . GLU 16 16 50970 1 . CYS 17 17 50970 1 . VAL 18 18 50970 1 . THR 19 19 50970 1 . ILE 20 20 50970 1 . VAL 21 21 50970 1 . LEU 22 22 50970 1 . GLY 23 23 50970 1 . ASP 24 24 50970 1 . ALA 25 25 50970 1 . ILE 26 26 50970 1 . GLN 27 27 50970 1 . VAL 28 28 50970 1 . ALA 29 29 50970 1 . LYS 30 30 50970 1 . CYS 31 31 50970 1 . TYR 32 32 50970 1 . GLY 33 33 50970 1 . GLU 34 34 50970 1 . SER 35 35 50970 1 . VAL 36 36 50970 1 . LEU 37 37 50970 1 . VAL 38 38 50970 1 . ASN 39 39 50970 1 . ALA 40 40 50970 1 . ALA 41 41 50970 1 . ASN 42 42 50970 1 . THR 43 43 50970 1 . HIS 44 44 50970 1 . LEU 45 45 50970 1 . LYS 46 46 50970 1 . HIS 47 47 50970 1 . GLY 48 48 50970 1 . GLY 49 49 50970 1 . GLY 50 50 50970 1 . ILE 51 51 50970 1 . ALA 52 52 50970 1 . GLY 53 53 50970 1 . ALA 54 54 50970 1 . ILE 55 55 50970 1 . ASN 56 56 50970 1 . ALA 57 57 50970 1 . ALA 58 58 50970 1 . SER 59 59 50970 1 . LYS 60 60 50970 1 . GLY 61 61 50970 1 . ALA 62 62 50970 1 . VAL 63 63 50970 1 . GLN 64 64 50970 1 . LYS 65 65 50970 1 . GLU 66 66 50970 1 . SER 67 67 50970 1 . ASP 68 68 50970 1 . GLU 69 69 50970 1 . TYR 70 70 50970 1 . ILE 71 71 50970 1 . LEU 72 72 50970 1 . ALA 73 73 50970 1 . LYS 74 74 50970 1 . GLY 75 75 50970 1 . PRO 76 76 50970 1 . LEU 77 77 50970 1 . GLN 78 78 50970 1 . VAL 79 79 50970 1 . GLY 80 80 50970 1 . ASP 81 81 50970 1 . SER 82 82 50970 1 . VAL 83 83 50970 1 . LEU 84 84 50970 1 . LEU 85 85 50970 1 . GLN 86 86 50970 1 . GLY 87 87 50970 1 . HIS 88 88 50970 1 . SER 89 89 50970 1 . LEU 90 90 50970 1 . ALA 91 91 50970 1 . LYS 92 92 50970 1 . ASN 93 93 50970 1 . ILE 94 94 50970 1 . LEU 95 95 50970 1 . HIS 96 96 50970 1 . VAL 97 97 50970 1 . VAL 98 98 50970 1 . GLY 99 99 50970 1 . PRO 100 100 50970 1 . ASP 101 101 50970 1 . ALA 102 102 50970 1 . ARG 103 103 50970 1 . ALA 104 104 50970 1 . LYS 105 105 50970 1 . GLN 106 106 50970 1 . ASP 107 107 50970 1 . VAL 108 108 50970 1 . SER 109 109 50970 1 . LEU 110 110 50970 1 . LEU 111 111 50970 1 . SER 112 112 50970 1 . LYS 113 113 50970 1 . CYS 114 114 50970 1 . TYR 115 115 50970 1 . LYS 116 116 50970 1 . ALA 117 117 50970 1 . MET 118 118 50970 1 . ASN 119 119 50970 1 . ALA 120 120 50970 1 . TYR 121 121 50970 1 . PRO 122 122 50970 1 . LEU 123 123 50970 1 . VAL 124 124 50970 1 . VAL 125 125 50970 1 . THR 126 126 50970 1 . PRO 127 127 50970 1 . LEU 128 128 50970 1 . VAL 129 129 50970 1 . SER 130 130 50970 1 . ALA 131 131 50970 1 . GLY 132 132 50970 1 . ILE 133 133 50970 1 . PHE 134 134 50970 1 . GLY 135 135 50970 1 . VAL 136 136 50970 1 . LYS 137 137 50970 1 . PRO 138 138 50970 1 . ALA 139 139 50970 1 . VAL 140 140 50970 1 . SER 141 141 50970 1 . PHE 142 142 50970 1 . ASP 143 143 50970 1 . TYR 144 144 50970 1 . LEU 145 145 50970 1 . ILE 146 146 50970 1 . ARG 147 147 50970 1 . GLU 148 148 50970 1 . ALA 149 149 50970 1 . LYS 150 150 50970 1 . THR 151 151 50970 1 . ARG 152 152 50970 1 . VAL 153 153 50970 1 . LEU 154 154 50970 1 . VAL 155 155 50970 1 . VAL 156 156 50970 1 . VAL 157 157 50970 1 . ASN 158 158 50970 1 . SER 159 159 50970 1 . GLN 160 160 50970 1 . ASP 161 161 50970 1 . VAL 162 162 50970 1 . TYR 163 163 50970 1 . LYS 164 164 50970 1 . SER 165 165 50970 1 . LEU 166 166 50970 1 . THR 167 167 50970 1 . ILE 168 168 50970 1 . VAL 169 169 50970 1 . ASP 170 170 50970 1 . ILE 171 171 50970 1 . PRO 172 172 50970 1 . GLN 173 173 50970 1 . LEU 174 174 50970 1 . GLU 175 175 50970 1 . LEU 176 176 50970 1 . GLU 177 177 50970 1 . HIS 178 178 50970 1 . HIS 179 179 50970 1 . HIS 180 180 50970 1 . HIS 181 181 50970 1 . HIS 182 182 50970 1 . HIS 183 183 50970 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50970 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1335626 organism . 'betacoronaviruses HCoV' MERS-CoV . . Viruses . Betacoronavirus MERS-CoV . . . . . . . . . . . . . 50970 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50970 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'E. cloni(r) EXPRESS BL21(DE3) (Lucigen)' . . . 50970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50970 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _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 'MERS-CoV MD free' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 50970 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 50970 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50970 1 4 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 50970 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50970 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 50970 1 7 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 50970 1 8 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 50970 1 9 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 50970 1 10 'bacterial inhibitor cocktail (Sigma Aldrich)' 'natural abundance' . . . . . . 1 . . % . . . . 50970 1 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 50970 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 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' 30 . mM 50970 1 pH 7.0 . pH 50970 1 pressure 1 . atm 50970 1 temperature 298 . K 50970 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50970 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50970 1 processing . 50970 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50970 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50970 2 'peak picking' . 50970 2 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 50970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700 AVANCE III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50970 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 7 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 8 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50970 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50970 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50970 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 50970 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50970 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50970 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned Chemical Shift 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 $chem_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 3 '3D HNCO' . . . 50970 1 4 '3D HN(CA)CO' . . . 50970 1 7 '3D CBCACONH' . . . 50970 1 8 '3D CBCANH' . . . 50970 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50970 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ASN C C 13 174.808 0.3 . 1 . . . . . 2 ASN C . 50970 1 2 . 1 . 1 2 2 ASN CA C 13 53.423 0.3 . 1 . . . . . 2 ASN CA . 50970 1 3 . 1 . 1 2 2 ASN CB C 13 39.048 0.3 . 1 . . . . . 2 ASN CB . 50970 1 4 . 1 . 1 3 3 VAL H H 1 8.232 0.020 . 1 . . . . . 3 VAL H . 50970 1 5 . 1 . 1 3 3 VAL C C 13 175.534 0.3 . 1 . . . . . 3 VAL C . 50970 1 6 . 1 . 1 3 3 VAL CA C 13 62.113 0.3 . 1 . . . . . 3 VAL CA . 50970 1 7 . 1 . 1 3 3 VAL CB C 13 32.944 0.3 . 1 . . . . . 3 VAL CB . 50970 1 8 . 1 . 1 3 3 VAL N N 15 120.754 0.3 . 1 . . . . . 3 VAL N . 50970 1 9 . 1 . 1 4 4 ASP H H 1 8.570 0.020 . 1 . . . . . 4 ASP H . 50970 1 10 . 1 . 1 4 4 ASP CA C 13 51.844 0.3 . 1 . . . . . 4 ASP CA . 50970 1 11 . 1 . 1 4 4 ASP CB C 13 42.038 0.3 . 1 . . . . . 4 ASP CB . 50970 1 12 . 1 . 1 4 4 ASP N N 15 126.255 0.3 . 1 . . . . . 4 ASP N . 50970 1 13 . 1 . 1 5 5 PRO C C 13 178.139 0.3 . 1 . . . . . 5 PRO C . 50970 1 14 . 1 . 1 5 5 PRO CA C 13 65.000 0.3 . 1 . . . . . 5 PRO CA . 50970 1 15 . 1 . 1 5 5 PRO CB C 13 31.920 0.3 . 1 . . . . . 5 PRO CB . 50970 1 16 . 1 . 1 6 6 LEU H H 1 8.070 0.020 . 1 . . . . . 6 LEU H . 50970 1 17 . 1 . 1 6 6 LEU C C 13 177.723 0.3 . 1 . . . . . 6 LEU C . 50970 1 18 . 1 . 1 6 6 LEU CA C 13 56.087 0.3 . 1 . . . . . 6 LEU CA . 50970 1 19 . 1 . 1 6 6 LEU CB C 13 40.305 0.3 . 1 . . . . . 6 LEU CB . 50970 1 20 . 1 . 1 6 6 LEU N N 15 115.764 0.3 . 1 . . . . . 6 LEU N . 50970 1 21 . 1 . 1 7 7 SER H H 1 7.922 0.020 . 1 . . . . . 7 SER H . 50970 1 22 . 1 . 1 7 7 SER C C 13 175.055 0.3 . 1 . . . . . 7 SER C . 50970 1 23 . 1 . 1 7 7 SER CA C 13 61.423 0.3 . 1 . . . . . 7 SER CA . 50970 1 24 . 1 . 1 7 7 SER CB C 13 63.540 0.3 . 1 . . . . . 7 SER CB . 50970 1 25 . 1 . 1 7 7 SER N N 15 113.068 0.3 . 1 . . . . . 7 SER N . 50970 1 26 . 1 . 1 8 8 ASN H H 1 7.541 0.020 . 1 . . . . . 8 ASN H . 50970 1 27 . 1 . 1 8 8 ASN C C 13 173.724 0.3 . 1 . . . . . 8 ASN C . 50970 1 28 . 1 . 1 8 8 ASN CA C 13 53.667 0.3 . 1 . . . . . 8 ASN CA . 50970 1 29 . 1 . 1 8 8 ASN CB C 13 39.184 0.3 . 1 . . . . . 8 ASN CB . 50970 1 30 . 1 . 1 8 8 ASN N N 15 116.447 0.3 . 1 . . . . . 8 ASN N . 50970 1 31 . 1 . 1 9 9 PHE H H 1 8.023 0.020 . 1 . . . . . 9 PHE H . 50970 1 32 . 1 . 1 9 9 PHE C C 13 176.108 0.3 . 1 . . . . . 9 PHE C . 50970 1 33 . 1 . 1 9 9 PHE CA C 13 56.570 0.3 . 1 . . . . . 9 PHE CA . 50970 1 34 . 1 . 1 9 9 PHE CB C 13 43.189 0.3 . 1 . . . . . 9 PHE CB . 50970 1 35 . 1 . 1 9 9 PHE N N 15 117.868 0.3 . 1 . . . . . 9 PHE N . 50970 1 36 . 1 . 1 10 10 GLU H H 1 9.469 0.020 . 1 . . . . . 10 GLU H . 50970 1 37 . 1 . 1 10 10 GLU C C 13 174.468 0.3 . 1 . . . . . 10 GLU C . 50970 1 38 . 1 . 1 10 10 GLU CA C 13 57.488 0.3 . 1 . . . . . 10 GLU CA . 50970 1 39 . 1 . 1 10 10 GLU CB C 13 28.740 0.3 . 1 . . . . . 10 GLU CB . 50970 1 40 . 1 . 1 10 10 GLU N N 15 128.871 0.3 . 1 . . . . . 10 GLU N . 50970 1 41 . 1 . 1 11 11 HIS H H 1 8.231 0.020 . 1 . . . . . 11 HIS H . 50970 1 42 . 1 . 1 11 11 HIS C C 13 173.352 0.3 . 1 . . . . . 11 HIS C . 50970 1 43 . 1 . 1 11 11 HIS CA C 13 56.216 0.3 . 1 . . . . . 11 HIS CA . 50970 1 44 . 1 . 1 11 11 HIS CB C 13 32.022 0.3 . 1 . . . . . 11 HIS CB . 50970 1 45 . 1 . 1 11 11 HIS N N 15 121.921 0.3 . 1 . . . . . 11 HIS N . 50970 1 46 . 1 . 1 12 12 LYS H H 1 9.143 0.020 . 1 . . . . . 12 LYS H . 50970 1 47 . 1 . 1 12 12 LYS C C 13 175.019 0.3 . 1 . . . . . 12 LYS C . 50970 1 48 . 1 . 1 12 12 LYS CA C 13 55.915 0.3 . 1 . . . . . 12 LYS CA . 50970 1 49 . 1 . 1 12 12 LYS CB C 13 36.660 0.3 . 1 . . . . . 12 LYS CB . 50970 1 50 . 1 . 1 12 12 LYS N N 15 119.006 0.3 . 1 . . . . . 12 LYS N . 50970 1 51 . 1 . 1 13 13 VAL H H 1 8.984 0.020 . 1 . . . . . 13 VAL H . 50970 1 52 . 1 . 1 13 13 VAL C C 13 175.667 0.3 . 1 . . . . . 13 VAL C . 50970 1 53 . 1 . 1 13 13 VAL CA C 13 64.260 0.3 . 1 . . . . . 13 VAL CA . 50970 1 54 . 1 . 1 13 13 VAL CB C 13 31.853 0.3 . 1 . . . . . 13 VAL CB . 50970 1 55 . 1 . 1 13 13 VAL N N 15 129.589 0.3 . 1 . . . . . 13 VAL N . 50970 1 56 . 1 . 1 14 14 ILE H H 1 8.845 0.020 . 1 . . . . . 14 ILE H . 50970 1 57 . 1 . 1 14 14 ILE C C 13 176.701 0.3 . 1 . . . . . 14 ILE C . 50970 1 58 . 1 . 1 14 14 ILE CA C 13 60.704 0.3 . 1 . . . . . 14 ILE CA . 50970 1 59 . 1 . 1 14 14 ILE CB C 13 37.297 0.3 . 1 . . . . . 14 ILE CB . 50970 1 60 . 1 . 1 14 14 ILE N N 15 129.792 0.3 . 1 . . . . . 14 ILE N . 50970 1 61 . 1 . 1 15 15 THR H H 1 8.422 0.020 . 1 . . . . . 15 THR H . 50970 1 62 . 1 . 1 15 15 THR C C 13 173.417 0.3 . 1 . . . . . 15 THR C . 50970 1 63 . 1 . 1 15 15 THR CA C 13 58.730 0.3 . 1 . . . . . 15 THR CA . 50970 1 64 . 1 . 1 15 15 THR CB C 13 73.294 0.3 . 1 . . . . . 15 THR CB . 50970 1 65 . 1 . 1 15 15 THR N N 15 109.610 0.3 . 1 . . . . . 15 THR N . 50970 1 66 . 1 . 1 16 16 GLU H H 1 8.964 0.020 . 1 . . . . . 16 GLU H . 50970 1 67 . 1 . 1 16 16 GLU C C 13 177.080 0.3 . 1 . . . . . 16 GLU C . 50970 1 68 . 1 . 1 16 16 GLU CA C 13 59.012 0.3 . 1 . . . . . 16 GLU CA . 50970 1 69 . 1 . 1 16 16 GLU CB C 13 28.887 0.3 . 1 . . . . . 16 GLU CB . 50970 1 70 . 1 . 1 16 16 GLU N N 15 116.540 0.3 . 1 . . . . . 16 GLU N . 50970 1 71 . 1 . 1 17 17 CYS H H 1 7.730 0.020 . 1 . . . . . 17 CYS H . 50970 1 72 . 1 . 1 17 17 CYS C C 13 173.147 0.3 . 1 . . . . . 17 CYS C . 50970 1 73 . 1 . 1 17 17 CYS CA C 13 61.257 0.3 . 1 . . . . . 17 CYS CA . 50970 1 74 . 1 . 1 17 17 CYS CB C 13 30.449 0.3 . 1 . . . . . 17 CYS CB . 50970 1 75 . 1 . 1 17 17 CYS N N 15 113.213 0.3 . 1 . . . . . 17 CYS N . 50970 1 76 . 1 . 1 18 18 VAL H H 1 7.431 0.020 . 1 . . . . . 18 VAL H . 50970 1 77 . 1 . 1 18 18 VAL C C 13 174.800 0.3 . 1 . . . . . 18 VAL C . 50970 1 78 . 1 . 1 18 18 VAL CA C 13 62.791 0.3 . 1 . . . . . 18 VAL CA . 50970 1 79 . 1 . 1 18 18 VAL CB C 13 33.930 0.3 . 1 . . . . . 18 VAL CB . 50970 1 80 . 1 . 1 18 18 VAL N N 15 119.245 0.3 . 1 . . . . . 18 VAL N . 50970 1 81 . 1 . 1 19 19 THR H H 1 8.504 0.020 . 1 . . . . . 19 THR H . 50970 1 82 . 1 . 1 19 19 THR C C 13 172.196 0.3 . 1 . . . . . 19 THR C . 50970 1 83 . 1 . 1 19 19 THR CA C 13 62.440 0.3 . 1 . . . . . 19 THR CA . 50970 1 84 . 1 . 1 19 19 THR CB C 13 72.221 0.3 . 1 . . . . . 19 THR CB . 50970 1 85 . 1 . 1 19 19 THR N N 15 126.842 0.3 . 1 . . . . . 19 THR N . 50970 1 86 . 1 . 1 20 20 ILE H H 1 9.052 0.020 . 1 . . . . . 20 ILE H . 50970 1 87 . 1 . 1 20 20 ILE C C 13 173.339 0.3 . 1 . . . . . 20 ILE C . 50970 1 88 . 1 . 1 20 20 ILE CA C 13 58.981 0.3 . 1 . . . . . 20 ILE CA . 50970 1 89 . 1 . 1 20 20 ILE CB C 13 41.181 0.3 . 1 . . . . . 20 ILE CB . 50970 1 90 . 1 . 1 20 20 ILE N N 15 125.760 0.3 . 1 . . . . . 20 ILE N . 50970 1 91 . 1 . 1 21 21 VAL H H 1 9.480 0.020 . 1 . . . . . 21 VAL H . 50970 1 92 . 1 . 1 21 21 VAL C C 13 173.212 0.3 . 1 . . . . . 21 VAL C . 50970 1 93 . 1 . 1 21 21 VAL CA C 13 60.858 0.3 . 1 . . . . . 21 VAL CA . 50970 1 94 . 1 . 1 21 21 VAL CB C 13 35.798 0.3 . 1 . . . . . 21 VAL CB . 50970 1 95 . 1 . 1 21 21 VAL N N 15 127.651 0.3 . 1 . . . . . 21 VAL N . 50970 1 96 . 1 . 1 22 22 LEU H H 1 8.334 0.020 . 1 . . . . . 22 LEU H . 50970 1 97 . 1 . 1 22 22 LEU C C 13 175.542 0.3 . 1 . . . . . 22 LEU C . 50970 1 98 . 1 . 1 22 22 LEU CA C 13 52.840 0.3 . 1 . . . . . 22 LEU CA . 50970 1 99 . 1 . 1 22 22 LEU CB C 13 41.577 0.3 . 1 . . . . . 22 LEU CB . 50970 1 100 . 1 . 1 22 22 LEU N N 15 129.842 0.3 . 1 . . . . . 22 LEU N . 50970 1 101 . 1 . 1 23 23 GLY H H 1 8.423 0.020 . 1 . . . . . 23 GLY H . 50970 1 102 . 1 . 1 23 23 GLY C C 13 169.803 0.3 . 1 . . . . . 23 GLY C . 50970 1 103 . 1 . 1 23 23 GLY CA C 13 45.590 0.3 . 1 . . . . . 23 GLY CA . 50970 1 104 . 1 . 1 23 23 GLY N N 15 113.083 0.3 . 1 . . . . . 23 GLY N . 50970 1 105 . 1 . 1 24 24 ASP H H 1 7.842 0.020 . 1 . . . . . 24 ASP H . 50970 1 106 . 1 . 1 24 24 ASP C C 13 176.767 0.3 . 1 . . . . . 24 ASP C . 50970 1 107 . 1 . 1 24 24 ASP CA C 13 52.424 0.3 . 1 . . . . . 24 ASP CA . 50970 1 108 . 1 . 1 24 24 ASP CB C 13 43.769 0.3 . 1 . . . . . 24 ASP CB . 50970 1 109 . 1 . 1 24 24 ASP N N 15 120.023 0.3 . 1 . . . . . 24 ASP N . 50970 1 110 . 1 . 1 25 25 ALA H H 1 8.926 0.020 . 1 . . . . . 25 ALA H . 50970 1 111 . 1 . 1 25 25 ALA C C 13 177.770 0.3 . 1 . . . . . 25 ALA C . 50970 1 112 . 1 . 1 25 25 ALA CA C 13 56.211 0.3 . 1 . . . . . 25 ALA CA . 50970 1 113 . 1 . 1 25 25 ALA CB C 13 18.181 0.3 . 1 . . . . . 25 ALA CB . 50970 1 114 . 1 . 1 25 25 ALA N N 15 128.760 0.3 . 1 . . . . . 25 ALA N . 50970 1 115 . 1 . 1 26 26 ILE H H 1 7.907 0.020 . 1 . . . . . 26 ILE H . 50970 1 116 . 1 . 1 26 26 ILE C C 13 178.342 0.3 . 1 . . . . . 26 ILE C . 50970 1 117 . 1 . 1 26 26 ILE CA C 13 66.046 0.3 . 1 . . . . . 26 ILE CA . 50970 1 118 . 1 . 1 26 26 ILE CB C 13 37.586 0.3 . 1 . . . . . 26 ILE CB . 50970 1 119 . 1 . 1 26 26 ILE N N 15 115.812 0.3 . 1 . . . . . 26 ILE N . 50970 1 120 . 1 . 1 27 27 GLN H H 1 7.492 0.020 . 1 . . . . . 27 GLN H . 50970 1 121 . 1 . 1 27 27 GLN C C 13 178.983 0.3 . 1 . . . . . 27 GLN C . 50970 1 122 . 1 . 1 27 27 GLN CA C 13 58.608 0.3 . 1 . . . . . 27 GLN CA . 50970 1 123 . 1 . 1 27 27 GLN CB C 13 28.382 0.3 . 1 . . . . . 27 GLN CB . 50970 1 124 . 1 . 1 27 27 GLN N N 15 118.538 0.3 . 1 . . . . . 27 GLN N . 50970 1 125 . 1 . 1 28 28 VAL H H 1 7.978 0.020 . 1 . . . . . 28 VAL H . 50970 1 126 . 1 . 1 28 28 VAL C C 13 178.050 0.3 . 1 . . . . . 28 VAL C . 50970 1 127 . 1 . 1 28 28 VAL CA C 13 66.735 0.3 . 1 . . . . . 28 VAL CA . 50970 1 128 . 1 . 1 28 28 VAL CB C 13 31.221 0.3 . 1 . . . . . 28 VAL CB . 50970 1 129 . 1 . 1 28 28 VAL N N 15 119.069 0.3 . 1 . . . . . 28 VAL N . 50970 1 130 . 1 . 1 29 29 ALA H H 1 8.280 0.020 . 1 . . . . . 29 ALA H . 50970 1 131 . 1 . 1 29 29 ALA C C 13 179.935 0.3 . 1 . . . . . 29 ALA C . 50970 1 132 . 1 . 1 29 29 ALA CA C 13 56.121 0.3 . 1 . . . . . 29 ALA CA . 50970 1 133 . 1 . 1 29 29 ALA CB C 13 17.938 0.3 . 1 . . . . . 29 ALA CB . 50970 1 134 . 1 . 1 29 29 ALA N N 15 120.539 0.3 . 1 . . . . . 29 ALA N . 50970 1 135 . 1 . 1 30 30 LYS H H 1 7.657 0.020 . 1 . . . . . 30 LYS H . 50970 1 136 . 1 . 1 30 30 LYS C C 13 178.001 0.3 . 1 . . . . . 30 LYS C . 50970 1 137 . 1 . 1 30 30 LYS CA C 13 58.171 0.3 . 1 . . . . . 30 LYS CA . 50970 1 138 . 1 . 1 30 30 LYS CB C 13 32.413 0.3 . 1 . . . . . 30 LYS CB . 50970 1 139 . 1 . 1 30 30 LYS N N 15 116.071 0.3 . 1 . . . . . 30 LYS N . 50970 1 140 . 1 . 1 31 31 CYS H H 1 7.577 0.020 . 1 . . . . . 31 CYS H . 50970 1 141 . 1 . 1 31 31 CYS C C 13 173.700 0.3 . 1 . . . . . 31 CYS C . 50970 1 142 . 1 . 1 31 31 CYS CA C 13 61.557 0.3 . 1 . . . . . 31 CYS CA . 50970 1 143 . 1 . 1 31 31 CYS CB C 13 27.750 0.3 . 1 . . . . . 31 CYS CB . 50970 1 144 . 1 . 1 31 31 CYS N N 15 114.770 0.3 . 1 . . . . . 31 CYS N . 50970 1 145 . 1 . 1 32 32 TYR H H 1 7.618 0.020 . 1 . . . . . 32 TYR H . 50970 1 146 . 1 . 1 32 32 TYR C C 13 176.166 0.3 . 1 . . . . . 32 TYR C . 50970 1 147 . 1 . 1 32 32 TYR CA C 13 56.776 0.3 . 1 . . . . . 32 TYR CA . 50970 1 148 . 1 . 1 32 32 TYR CB C 13 40.540 0.3 . 1 . . . . . 32 TYR CB . 50970 1 149 . 1 . 1 32 32 TYR N N 15 117.742 0.3 . 1 . . . . . 32 TYR N . 50970 1 150 . 1 . 1 33 33 GLY H H 1 8.843 0.020 . 1 . . . . . 33 GLY H . 50970 1 151 . 1 . 1 33 33 GLY C C 13 174.917 0.3 . 1 . . . . . 33 GLY C . 50970 1 152 . 1 . 1 33 33 GLY CA C 13 47.015 0.3 . 1 . . . . . 33 GLY CA . 50970 1 153 . 1 . 1 33 33 GLY N N 15 113.409 0.3 . 1 . . . . . 33 GLY N . 50970 1 154 . 1 . 1 34 34 GLU H H 1 9.024 0.020 . 1 . . . . . 34 GLU H . 50970 1 155 . 1 . 1 34 34 GLU C C 13 175.842 0.3 . 1 . . . . . 34 GLU C . 50970 1 156 . 1 . 1 34 34 GLU CA C 13 55.779 0.3 . 1 . . . . . 34 GLU CA . 50970 1 157 . 1 . 1 34 34 GLU CB C 13 29.289 0.3 . 1 . . . . . 34 GLU CB . 50970 1 158 . 1 . 1 34 34 GLU N N 15 117.259 0.3 . 1 . . . . . 34 GLU N . 50970 1 159 . 1 . 1 35 35 SER H H 1 7.887 0.020 . 1 . . . . . 35 SER H . 50970 1 160 . 1 . 1 35 35 SER C C 13 172.536 0.3 . 1 . . . . . 35 SER C . 50970 1 161 . 1 . 1 35 35 SER CA C 13 59.460 0.3 . 1 . . . . . 35 SER CA . 50970 1 162 . 1 . 1 35 35 SER CB C 13 65.437 0.3 . 1 . . . . . 35 SER CB . 50970 1 163 . 1 . 1 35 35 SER N N 15 114.972 0.3 . 1 . . . . . 35 SER N . 50970 1 164 . 1 . 1 36 36 VAL H H 1 7.799 0.020 . 1 . . . . . 36 VAL H . 50970 1 165 . 1 . 1 36 36 VAL C C 13 174.118 0.3 . 1 . . . . . 36 VAL C . 50970 1 166 . 1 . 1 36 36 VAL CA C 13 62.060 0.3 . 1 . . . . . 36 VAL CA . 50970 1 167 . 1 . 1 36 36 VAL CB C 13 33.733 0.3 . 1 . . . . . 36 VAL CB . 50970 1 168 . 1 . 1 36 36 VAL N N 15 119.096 0.3 . 1 . . . . . 36 VAL N . 50970 1 169 . 1 . 1 37 37 LEU H H 1 7.420 0.020 . 1 . . . . . 37 LEU H . 50970 1 170 . 1 . 1 37 37 LEU C C 13 174.463 0.3 . 1 . . . . . 37 LEU C . 50970 1 171 . 1 . 1 37 37 LEU CA C 13 52.689 0.3 . 1 . . . . . 37 LEU CA . 50970 1 172 . 1 . 1 37 37 LEU CB C 13 45.489 0.3 . 1 . . . . . 37 LEU CB . 50970 1 173 . 1 . 1 37 37 LEU N N 15 128.783 0.3 . 1 . . . . . 37 LEU N . 50970 1 174 . 1 . 1 38 38 VAL H H 1 8.924 0.020 . 1 . . . . . 38 VAL H . 50970 1 175 . 1 . 1 38 38 VAL C C 13 173.157 0.3 . 1 . . . . . 38 VAL C . 50970 1 176 . 1 . 1 38 38 VAL CA C 13 61.380 0.3 . 1 . . . . . 38 VAL CA . 50970 1 177 . 1 . 1 38 38 VAL CB C 13 32.943 0.3 . 1 . . . . . 38 VAL CB . 50970 1 178 . 1 . 1 38 38 VAL N N 15 128.858 0.3 . 1 . . . . . 38 VAL N . 50970 1 179 . 1 . 1 39 39 ASN H H 1 8.279 0.020 . 1 . . . . . 39 ASN H . 50970 1 180 . 1 . 1 39 39 ASN C C 13 174.998 0.3 . 1 . . . . . 39 ASN C . 50970 1 181 . 1 . 1 39 39 ASN CA C 13 50.373 0.3 . 1 . . . . . 39 ASN CA . 50970 1 182 . 1 . 1 39 39 ASN CB C 13 41.320 0.3 . 1 . . . . . 39 ASN CB . 50970 1 183 . 1 . 1 39 39 ASN N N 15 119.403 0.3 . 1 . . . . . 39 ASN N . 50970 1 184 . 1 . 1 40 40 ALA H H 1 6.399 0.020 . 1 . . . . . 40 ALA H . 50970 1 185 . 1 . 1 40 40 ALA C C 13 173.770 0.3 . 1 . . . . . 40 ALA C . 50970 1 186 . 1 . 1 40 40 ALA CA C 13 51.511 0.3 . 1 . . . . . 40 ALA CA . 50970 1 187 . 1 . 1 40 40 ALA CB C 13 18.058 0.3 . 1 . . . . . 40 ALA CB . 50970 1 188 . 1 . 1 40 40 ALA N N 15 131.056 0.3 . 1 . . . . . 40 ALA N . 50970 1 189 . 1 . 1 41 41 ALA H H 1 8.393 0.020 . 1 . . . . . 41 ALA H . 50970 1 190 . 1 . 1 41 41 ALA C C 13 175.983 0.3 . 1 . . . . . 41 ALA C . 50970 1 191 . 1 . 1 41 41 ALA CA C 13 51.010 0.3 . 1 . . . . . 41 ALA CA . 50970 1 192 . 1 . 1 41 41 ALA CB C 13 22.881 0.3 . 1 . . . . . 41 ALA CB . 50970 1 193 . 1 . 1 41 41 ALA N N 15 128.442 0.3 . 1 . . . . . 41 ALA N . 50970 1 194 . 1 . 1 42 42 ASN H H 1 7.421 0.020 . 1 . . . . . 42 ASN H . 50970 1 195 . 1 . 1 42 42 ASN C C 13 176.959 0.3 . 1 . . . . . 42 ASN C . 50970 1 196 . 1 . 1 42 42 ASN CA C 13 51.050 0.3 . 1 . . . . . 42 ASN CA . 50970 1 197 . 1 . 1 42 42 ASN CB C 13 41.640 0.3 . 1 . . . . . 42 ASN CB . 50970 1 198 . 1 . 1 42 42 ASN N N 15 112.412 0.3 . 1 . . . . . 42 ASN N . 50970 1 199 . 1 . 1 43 43 THR H H 1 8.144 0.020 . 1 . . . . . 43 THR H . 50970 1 200 . 1 . 1 43 43 THR C C 13 174.344 0.3 . 1 . . . . . 43 THR C . 50970 1 201 . 1 . 1 43 43 THR CA C 13 65.395 0.3 . 1 . . . . . 43 THR CA . 50970 1 202 . 1 . 1 43 43 THR CB C 13 69.800 0.3 . 1 . . . . . 43 THR CB . 50970 1 203 . 1 . 1 43 43 THR N N 15 107.360 0.3 . 1 . . . . . 43 THR N . 50970 1 204 . 1 . 1 44 44 HIS H H 1 7.184 0.020 . 1 . . . . . 44 HIS H . 50970 1 205 . 1 . 1 44 44 HIS C C 13 172.392 0.3 . 1 . . . . . 44 HIS C . 50970 1 206 . 1 . 1 44 44 HIS CA C 13 56.430 0.3 . 1 . . . . . 44 HIS CA . 50970 1 207 . 1 . 1 44 44 HIS CB C 13 30.072 0.3 . 1 . . . . . 44 HIS CB . 50970 1 208 . 1 . 1 44 44 HIS N N 15 115.606 0.3 . 1 . . . . . 44 HIS N . 50970 1 209 . 1 . 1 45 45 LEU H H 1 8.077 0.020 . 1 . . . . . 45 LEU H . 50970 1 210 . 1 . 1 45 45 LEU C C 13 173.549 0.3 . 1 . . . . . 45 LEU C . 50970 1 211 . 1 . 1 45 45 LEU CA C 13 54.625 0.3 . 1 . . . . . 45 LEU CA . 50970 1 212 . 1 . 1 45 45 LEU CB C 13 39.840 0.3 . 1 . . . . . 45 LEU CB . 50970 1 213 . 1 . 1 45 45 LEU N N 15 114.876 0.3 . 1 . . . . . 45 LEU N . 50970 1 214 . 1 . 1 46 46 LYS H H 1 8.059 0.020 . 1 . . . . . 46 LYS H . 50970 1 215 . 1 . 1 46 46 LYS C C 13 177.210 0.3 . 1 . . . . . 46 LYS C . 50970 1 216 . 1 . 1 46 46 LYS CA C 13 53.933 0.3 . 1 . . . . . 46 LYS CA . 50970 1 217 . 1 . 1 46 46 LYS CB C 13 31.750 0.3 . 1 . . . . . 46 LYS CB . 50970 1 218 . 1 . 1 46 46 LYS N N 15 115.518 0.3 . 1 . . . . . 46 LYS N . 50970 1 219 . 1 . 1 47 47 HIS H H 1 9.034 0.020 . 1 . . . . . 47 HIS H . 50970 1 220 . 1 . 1 47 47 HIS C C 13 177.788 0.3 . 1 . . . . . 47 HIS C . 50970 1 221 . 1 . 1 47 47 HIS CA C 13 54.733 0.3 . 1 . . . . . 47 HIS CA . 50970 1 222 . 1 . 1 47 47 HIS CB C 13 28.652 0.3 . 1 . . . . . 47 HIS CB . 50970 1 223 . 1 . 1 47 47 HIS N N 15 129.309 0.3 . 1 . . . . . 47 HIS N . 50970 1 224 . 1 . 1 48 48 GLY H H 1 8.076 0.020 . 1 . . . . . 48 GLY H . 50970 1 225 . 1 . 1 48 48 GLY C C 13 174.236 0.3 . 1 . . . . . 48 GLY C . 50970 1 226 . 1 . 1 48 48 GLY CA C 13 46.020 0.3 . 1 . . . . . 48 GLY CA . 50970 1 227 . 1 . 1 48 48 GLY N N 15 110.322 0.3 . 1 . . . . . 48 GLY N . 50970 1 228 . 1 . 1 49 49 GLY H H 1 8.153 0.020 . 1 . . . . . 49 GLY H . 50970 1 229 . 1 . 1 49 49 GLY C C 13 174.116 0.3 . 1 . . . . . 49 GLY C . 50970 1 230 . 1 . 1 49 49 GLY CA C 13 44.460 0.3 . 1 . . . . . 49 GLY CA . 50970 1 231 . 1 . 1 49 49 GLY N N 15 108.869 0.3 . 1 . . . . . 49 GLY N . 50970 1 232 . 1 . 1 50 50 GLY H H 1 8.698 0.020 . 1 . . . . . 50 GLY H . 50970 1 233 . 1 . 1 50 50 GLY C C 13 175.330 0.3 . 1 . . . . . 50 GLY C . 50970 1 234 . 1 . 1 50 50 GLY CA C 13 45.990 0.3 . 1 . . . . . 50 GLY CA . 50970 1 235 . 1 . 1 50 50 GLY N N 15 108.277 0.3 . 1 . . . . . 50 GLY N . 50970 1 236 . 1 . 1 51 51 ILE H H 1 8.669 0.020 . 1 . . . . . 51 ILE H . 50970 1 237 . 1 . 1 51 51 ILE C C 13 175.930 0.3 . 1 . . . . . 51 ILE C . 50970 1 238 . 1 . 1 51 51 ILE CA C 13 63.630 0.3 . 1 . . . . . 51 ILE CA . 50970 1 239 . 1 . 1 51 51 ILE CB C 13 37.730 0.3 . 1 . . . . . 51 ILE CB . 50970 1 240 . 1 . 1 51 51 ILE N N 15 126.191 0.3 . 1 . . . . . 51 ILE N . 50970 1 241 . 1 . 1 52 52 ALA H H 1 8.559 0.020 . 1 . . . . . 52 ALA H . 50970 1 242 . 1 . 1 52 52 ALA C C 13 180.930 0.3 . 1 . . . . . 52 ALA C . 50970 1 243 . 1 . 1 52 52 ALA CA C 13 55.848 0.3 . 1 . . . . . 52 ALA CA . 50970 1 244 . 1 . 1 52 52 ALA CB C 13 18.740 0.3 . 1 . . . . . 52 ALA CB . 50970 1 245 . 1 . 1 52 52 ALA N N 15 127.144 0.3 . 1 . . . . . 52 ALA N . 50970 1 246 . 1 . 1 53 53 GLY H H 1 7.702 0.020 . 1 . . . . . 53 GLY H . 50970 1 247 . 1 . 1 53 53 GLY C C 13 176.781 0.3 . 1 . . . . . 53 GLY C . 50970 1 248 . 1 . 1 53 53 GLY CA C 13 46.516 0.3 . 1 . . . . . 53 GLY CA . 50970 1 249 . 1 . 1 53 53 GLY N N 15 105.402 0.3 . 1 . . . . . 53 GLY N . 50970 1 250 . 1 . 1 54 54 ALA H H 1 7.692 0.020 . 1 . . . . . 54 ALA H . 50970 1 251 . 1 . 1 54 54 ALA C C 13 181.239 0.3 . 1 . . . . . 54 ALA C . 50970 1 252 . 1 . 1 54 54 ALA CA C 13 55.360 0.3 . 1 . . . . . 54 ALA CA . 50970 1 253 . 1 . 1 54 54 ALA CB C 13 18.310 0.3 . 1 . . . . . 54 ALA CB . 50970 1 254 . 1 . 1 54 54 ALA N N 15 126.941 0.3 . 1 . . . . . 54 ALA N . 50970 1 255 . 1 . 1 55 55 ILE H H 1 9.077 0.020 . 1 . . . . . 55 ILE H . 50970 1 256 . 1 . 1 55 55 ILE C C 13 177.984 0.3 . 1 . . . . . 55 ILE C . 50970 1 257 . 1 . 1 55 55 ILE CA C 13 65.933 0.3 . 1 . . . . . 55 ILE CA . 50970 1 258 . 1 . 1 55 55 ILE CB C 13 37.866 0.3 . 1 . . . . . 55 ILE CB . 50970 1 259 . 1 . 1 55 55 ILE N N 15 122.787 0.3 . 1 . . . . . 55 ILE N . 50970 1 260 . 1 . 1 56 56 ASN H H 1 8.486 0.020 . 1 . . . . . 56 ASN H . 50970 1 261 . 1 . 1 56 56 ASN C C 13 179.877 0.3 . 1 . . . . . 56 ASN C . 50970 1 262 . 1 . 1 56 56 ASN CA C 13 57.327 0.3 . 1 . . . . . 56 ASN CA . 50970 1 263 . 1 . 1 56 56 ASN CB C 13 39.342 0.3 . 1 . . . . . 56 ASN CB . 50970 1 264 . 1 . 1 56 56 ASN N N 15 117.286 0.3 . 1 . . . . . 56 ASN N . 50970 1 265 . 1 . 1 57 57 ALA H H 1 8.726 0.020 . 1 . . . . . 57 ALA H . 50970 1 266 . 1 . 1 57 57 ALA C C 13 181.871 0.3 . 1 . . . . . 57 ALA C . 50970 1 267 . 1 . 1 57 57 ALA CA C 13 55.648 0.3 . 1 . . . . . 57 ALA CA . 50970 1 268 . 1 . 1 57 57 ALA CB C 13 17.808 0.3 . 1 . . . . . 57 ALA CB . 50970 1 269 . 1 . 1 57 57 ALA N N 15 124.126 0.3 . 1 . . . . . 57 ALA N . 50970 1 270 . 1 . 1 58 58 ALA H H 1 8.337 0.020 . 1 . . . . . 58 ALA H . 50970 1 271 . 1 . 1 58 58 ALA C C 13 178.445 0.3 . 1 . . . . . 58 ALA C . 50970 1 272 . 1 . 1 58 58 ALA CA C 13 55.209 0.3 . 1 . . . . . 58 ALA CA . 50970 1 273 . 1 . 1 58 58 ALA CB C 13 18.196 0.3 . 1 . . . . . 58 ALA CB . 50970 1 274 . 1 . 1 58 58 ALA N N 15 123.227 0.3 . 1 . . . . . 58 ALA N . 50970 1 275 . 1 . 1 59 59 SER H H 1 7.801 0.020 . 1 . . . . . 59 SER H . 50970 1 276 . 1 . 1 59 59 SER C C 13 174.399 0.3 . 1 . . . . . 59 SER C . 50970 1 277 . 1 . 1 59 59 SER CA C 13 58.269 0.3 . 1 . . . . . 59 SER CA . 50970 1 278 . 1 . 1 59 59 SER CB C 13 65.524 0.3 . 1 . . . . . 59 SER CB . 50970 1 279 . 1 . 1 59 59 SER N N 15 111.510 0.3 . 1 . . . . . 59 SER N . 50970 1 280 . 1 . 1 60 60 LYS H H 1 8.338 0.020 . 1 . . . . . 60 LYS H . 50970 1 281 . 1 . 1 60 60 LYS C C 13 176.897 0.3 . 1 . . . . . 60 LYS C . 50970 1 282 . 1 . 1 60 60 LYS CA C 13 57.235 0.3 . 1 . . . . . 60 LYS CA . 50970 1 283 . 1 . 1 60 60 LYS CB C 13 28.770 0.3 . 1 . . . . . 60 LYS CB . 50970 1 284 . 1 . 1 60 60 LYS N N 15 122.034 0.3 . 1 . . . . . 60 LYS N . 50970 1 285 . 1 . 1 61 61 GLY H H 1 7.807 0.020 . 1 . . . . . 61 GLY H . 50970 1 286 . 1 . 1 61 61 GLY C C 13 175.212 0.3 . 1 . . . . . 61 GLY C . 50970 1 287 . 1 . 1 61 61 GLY CA C 13 45.228 0.3 . 1 . . . . . 61 GLY CA . 50970 1 288 . 1 . 1 61 61 GLY N N 15 103.962 0.3 . 1 . . . . . 61 GLY N . 50970 1 289 . 1 . 1 62 62 ALA H H 1 7.723 0.020 . 1 . . . . . 62 ALA H . 50970 1 290 . 1 . 1 62 62 ALA C C 13 180.818 0.3 . 1 . . . . . 62 ALA C . 50970 1 291 . 1 . 1 62 62 ALA CA C 13 55.150 0.3 . 1 . . . . . 62 ALA CA . 50970 1 292 . 1 . 1 62 62 ALA CB C 13 19.324 0.3 . 1 . . . . . 62 ALA CB . 50970 1 293 . 1 . 1 62 62 ALA N N 15 126.038 0.3 . 1 . . . . . 62 ALA N . 50970 1 294 . 1 . 1 63 63 VAL H H 1 8.114 0.020 . 1 . . . . . 63 VAL H . 50970 1 295 . 1 . 1 63 63 VAL C C 13 179.459 0.3 . 1 . . . . . 63 VAL C . 50970 1 296 . 1 . 1 63 63 VAL CA C 13 66.346 0.3 . 1 . . . . . 63 VAL CA . 50970 1 297 . 1 . 1 63 63 VAL CB C 13 31.292 0.3 . 1 . . . . . 63 VAL CB . 50970 1 298 . 1 . 1 63 63 VAL N N 15 117.689 0.3 . 1 . . . . . 63 VAL N . 50970 1 299 . 1 . 1 64 64 GLN H H 1 8.143 0.020 . 1 . . . . . 64 GLN H . 50970 1 300 . 1 . 1 64 64 GLN C C 13 176.904 0.3 . 1 . . . . . 64 GLN C . 50970 1 301 . 1 . 1 64 64 GLN CA C 13 58.203 0.3 . 1 . . . . . 64 GLN CA . 50970 1 302 . 1 . 1 64 64 GLN CB C 13 29.710 0.3 . 1 . . . . . 64 GLN CB . 50970 1 303 . 1 . 1 64 64 GLN N N 15 123.308 0.3 . 1 . . . . . 64 GLN N . 50970 1 304 . 1 . 1 65 65 LYS H H 1 7.609 0.020 . 1 . . . . . 65 LYS H . 50970 1 305 . 1 . 1 65 65 LYS C C 13 178.491 0.3 . 1 . . . . . 65 LYS C . 50970 1 306 . 1 . 1 65 65 LYS CA C 13 60.120 0.3 . 1 . . . . . 65 LYS CA . 50970 1 307 . 1 . 1 65 65 LYS CB C 13 32.564 0.3 . 1 . . . . . 65 LYS CB . 50970 1 308 . 1 . 1 65 65 LYS N N 15 120.031 0.3 . 1 . . . . . 65 LYS N . 50970 1 309 . 1 . 1 66 66 GLU H H 1 7.909 0.020 . 1 . . . . . 66 GLU H . 50970 1 310 . 1 . 1 66 66 GLU C C 13 179.786 0.3 . 1 . . . . . 66 GLU C . 50970 1 311 . 1 . 1 66 66 GLU CA C 13 58.991 0.3 . 1 . . . . . 66 GLU CA . 50970 1 312 . 1 . 1 66 66 GLU CB C 13 30.384 0.3 . 1 . . . . . 66 GLU CB . 50970 1 313 . 1 . 1 66 66 GLU N N 15 119.604 0.3 . 1 . . . . . 66 GLU N . 50970 1 314 . 1 . 1 67 67 SER H H 1 8.354 0.020 . 1 . . . . . 67 SER H . 50970 1 315 . 1 . 1 67 67 SER C C 13 174.284 0.3 . 1 . . . . . 67 SER C . 50970 1 316 . 1 . 1 67 67 SER CA C 13 63.084 0.3 . 1 . . . . . 67 SER CA . 50970 1 317 . 1 . 1 67 67 SER CB C 13 63.204 0.3 . 1 . . . . . 67 SER CB . 50970 1 318 . 1 . 1 67 67 SER N N 15 117.293 0.3 . 1 . . . . . 67 SER N . 50970 1 319 . 1 . 1 68 68 ASP H H 1 8.840 0.020 . 1 . . . . . 68 ASP H . 50970 1 320 . 1 . 1 68 68 ASP C C 13 179.551 0.3 . 1 . . . . . 68 ASP C . 50970 1 321 . 1 . 1 68 68 ASP CA C 13 57.593 0.3 . 1 . . . . . 68 ASP CA . 50970 1 322 . 1 . 1 68 68 ASP CB C 13 39.811 0.3 . 1 . . . . . 68 ASP CB . 50970 1 323 . 1 . 1 68 68 ASP N N 15 122.979 0.3 . 1 . . . . . 68 ASP N . 50970 1 324 . 1 . 1 69 69 GLU H H 1 7.658 0.020 . 1 . . . . . 69 GLU H . 50970 1 325 . 1 . 1 69 69 GLU C C 13 178.854 0.3 . 1 . . . . . 69 GLU C . 50970 1 326 . 1 . 1 69 69 GLU CA C 13 59.950 0.3 . 1 . . . . . 69 GLU CA . 50970 1 327 . 1 . 1 69 69 GLU CB C 13 29.380 0.3 . 1 . . . . . 69 GLU CB . 50970 1 328 . 1 . 1 69 69 GLU N N 15 119.537 0.3 . 1 . . . . . 69 GLU N . 50970 1 329 . 1 . 1 70 70 TYR H H 1 8.095 0.020 . 1 . . . . . 70 TYR H . 50970 1 330 . 1 . 1 70 70 TYR C C 13 176.866 0.3 . 1 . . . . . 70 TYR C . 50970 1 331 . 1 . 1 70 70 TYR CA C 13 62.809 0.3 . 1 . . . . . 70 TYR CA . 50970 1 332 . 1 . 1 70 70 TYR CB C 13 38.345 0.3 . 1 . . . . . 70 TYR CB . 50970 1 333 . 1 . 1 70 70 TYR N N 15 122.905 0.3 . 1 . . . . . 70 TYR N . 50970 1 334 . 1 . 1 71 71 ILE H H 1 8.564 0.020 . 1 . . . . . 71 ILE H . 50970 1 335 . 1 . 1 71 71 ILE C C 13 180.313 0.3 . 1 . . . . . 71 ILE C . 50970 1 336 . 1 . 1 71 71 ILE CA C 13 61.111 0.3 . 1 . . . . . 71 ILE CA . 50970 1 337 . 1 . 1 71 71 ILE CB C 13 35.330 0.3 . 1 . . . . . 71 ILE CB . 50970 1 338 . 1 . 1 71 71 ILE N N 15 120.229 0.3 . 1 . . . . . 71 ILE N . 50970 1 339 . 1 . 1 72 72 LEU H H 1 7.898 0.020 . 1 . . . . . 72 LEU H . 50970 1 340 . 1 . 1 72 72 LEU C C 13 178.054 0.3 . 1 . . . . . 72 LEU C . 50970 1 341 . 1 . 1 72 72 LEU CA C 13 58.162 0.3 . 1 . . . . . 72 LEU CA . 50970 1 342 . 1 . 1 72 72 LEU CB C 13 42.150 0.3 . 1 . . . . . 72 LEU CB . 50970 1 343 . 1 . 1 72 72 LEU N N 15 121.299 0.3 . 1 . . . . . 72 LEU N . 50970 1 344 . 1 . 1 73 73 ALA H H 1 7.276 0.020 . 1 . . . . . 73 ALA H . 50970 1 345 . 1 . 1 73 73 ALA C C 13 179.693 0.3 . 1 . . . . . 73 ALA C . 50970 1 346 . 1 . 1 73 73 ALA CA C 13 54.449 0.3 . 1 . . . . . 73 ALA CA . 50970 1 347 . 1 . 1 73 73 ALA CB C 13 19.609 0.3 . 1 . . . . . 73 ALA CB . 50970 1 348 . 1 . 1 73 73 ALA N N 15 118.727 0.3 . 1 . . . . . 73 ALA N . 50970 1 349 . 1 . 1 74 74 LYS H H 1 8.409 0.020 . 1 . . . . . 74 LYS H . 50970 1 350 . 1 . 1 74 74 LYS C C 13 177.821 0.3 . 1 . . . . . 74 LYS C . 50970 1 351 . 1 . 1 74 74 LYS CA C 13 55.708 0.3 . 1 . . . . . 74 LYS CA . 50970 1 352 . 1 . 1 74 74 LYS CB C 13 33.631 0.3 . 1 . . . . . 74 LYS CB . 50970 1 353 . 1 . 1 74 74 LYS N N 15 115.592 0.3 . 1 . . . . . 74 LYS N . 50970 1 354 . 1 . 1 75 75 GLY H H 1 8.086 0.020 . 1 . . . . . 75 GLY H . 50970 1 355 . 1 . 1 75 75 GLY C C 13 169.535 0.3 . 1 . . . . . 75 GLY C . 50970 1 356 . 1 . 1 75 75 GLY CA C 13 44.445 0.3 . 1 . . . . . 75 GLY CA . 50970 1 357 . 1 . 1 75 75 GLY N N 15 110.710 0.3 . 1 . . . . . 75 GLY N . 50970 1 358 . 1 . 1 76 76 PRO C C 13 176.840 0.3 . 1 . . . . . 76 PRO C . 50970 1 359 . 1 . 1 76 76 PRO CA C 13 62.570 0.3 . 1 . . . . . 76 PRO CA . 50970 1 360 . 1 . 1 76 76 PRO CB C 13 31.780 0.3 . 1 . . . . . 76 PRO CB . 50970 1 361 . 1 . 1 77 77 LEU H H 1 8.442 0.020 . 1 . . . . . 77 LEU H . 50970 1 362 . 1 . 1 77 77 LEU C C 13 176.711 0.3 . 1 . . . . . 77 LEU C . 50970 1 363 . 1 . 1 77 77 LEU CA C 13 55.651 0.3 . 1 . . . . . 77 LEU CA . 50970 1 364 . 1 . 1 77 77 LEU CB C 13 44.132 0.3 . 1 . . . . . 77 LEU CB . 50970 1 365 . 1 . 1 77 77 LEU N N 15 122.993 0.3 . 1 . . . . . 77 LEU N . 50970 1 366 . 1 . 1 78 78 GLN H H 1 8.412 0.020 . 1 . . . . . 78 GLN H . 50970 1 367 . 1 . 1 78 78 GLN C C 13 176.156 0.3 . 1 . . . . . 78 GLN C . 50970 1 368 . 1 . 1 78 78 GLN CA C 13 53.752 0.3 . 1 . . . . . 78 GLN CA . 50970 1 369 . 1 . 1 78 78 GLN CB C 13 29.880 0.3 . 1 . . . . . 78 GLN CB . 50970 1 370 . 1 . 1 78 78 GLN N N 15 116.934 0.3 . 1 . . . . . 78 GLN N . 50970 1 371 . 1 . 1 79 79 VAL H H 1 8.227 0.020 . 1 . . . . . 79 VAL H . 50970 1 372 . 1 . 1 79 79 VAL C C 13 177.279 0.3 . 1 . . . . . 79 VAL C . 50970 1 373 . 1 . 1 79 79 VAL CA C 13 65.453 0.3 . 1 . . . . . 79 VAL CA . 50970 1 374 . 1 . 1 79 79 VAL CB C 13 30.199 0.3 . 1 . . . . . 79 VAL CB . 50970 1 375 . 1 . 1 79 79 VAL N N 15 120.698 0.3 . 1 . . . . . 79 VAL N . 50970 1 376 . 1 . 1 80 80 GLY H H 1 9.241 0.020 . 1 . . . . . 80 GLY H . 50970 1 377 . 1 . 1 80 80 GLY C C 13 172.464 0.3 . 1 . . . . . 80 GLY C . 50970 1 378 . 1 . 1 80 80 GLY CA C 13 44.939 0.3 . 1 . . . . . 80 GLY CA . 50970 1 379 . 1 . 1 80 80 GLY N N 15 118.377 0.3 . 1 . . . . . 80 GLY N . 50970 1 380 . 1 . 1 81 81 ASP H H 1 7.943 0.020 . 1 . . . . . 81 ASP H . 50970 1 381 . 1 . 1 81 81 ASP C C 13 173.792 0.3 . 1 . . . . . 81 ASP C . 50970 1 382 . 1 . 1 81 81 ASP CA C 13 54.081 0.3 . 1 . . . . . 81 ASP CA . 50970 1 383 . 1 . 1 81 81 ASP CB C 13 43.220 0.3 . 1 . . . . . 81 ASP CB . 50970 1 384 . 1 . 1 81 81 ASP N N 15 119.805 0.3 . 1 . . . . . 81 ASP N . 50970 1 385 . 1 . 1 82 82 SER H H 1 7.855 0.020 . 1 . . . . . 82 SER H . 50970 1 386 . 1 . 1 82 82 SER C C 13 173.660 0.3 . 1 . . . . . 82 SER C . 50970 1 387 . 1 . 1 82 82 SER CA C 13 56.469 0.3 . 1 . . . . . 82 SER CA . 50970 1 388 . 1 . 1 82 82 SER CB C 13 67.500 0.3 . 1 . . . . . 82 SER CB . 50970 1 389 . 1 . 1 82 82 SER N N 15 107.826 0.3 . 1 . . . . . 82 SER N . 50970 1 390 . 1 . 1 83 83 VAL H H 1 8.767 0.020 . 1 . . . . . 83 VAL H . 50970 1 391 . 1 . 1 83 83 VAL C C 13 172.046 0.3 . 1 . . . . . 83 VAL C . 50970 1 392 . 1 . 1 83 83 VAL CA C 13 60.647 0.3 . 1 . . . . . 83 VAL CA . 50970 1 393 . 1 . 1 83 83 VAL CB C 13 34.640 0.3 . 1 . . . . . 83 VAL CB . 50970 1 394 . 1 . 1 83 83 VAL N N 15 117.481 0.3 . 1 . . . . . 83 VAL N . 50970 1 395 . 1 . 1 84 84 LEU H H 1 8.569 0.020 . 1 . . . . . 84 LEU H . 50970 1 396 . 1 . 1 84 84 LEU C C 13 175.461 0.3 . 1 . . . . . 84 LEU C . 50970 1 397 . 1 . 1 84 84 LEU CA C 13 54.485 0.3 . 1 . . . . . 84 LEU CA . 50970 1 398 . 1 . 1 84 84 LEU CB C 13 42.690 0.3 . 1 . . . . . 84 LEU CB . 50970 1 399 . 1 . 1 84 84 LEU N N 15 131.894 0.3 . 1 . . . . . 84 LEU N . 50970 1 400 . 1 . 1 85 85 LEU H H 1 9.195 0.020 . 1 . . . . . 85 LEU H . 50970 1 401 . 1 . 1 85 85 LEU C C 13 177.823 0.3 . 1 . . . . . 85 LEU C . 50970 1 402 . 1 . 1 85 85 LEU CA C 13 53.730 0.3 . 1 . . . . . 85 LEU CA . 50970 1 403 . 1 . 1 85 85 LEU CB C 13 43.413 0.3 . 1 . . . . . 85 LEU CB . 50970 1 404 . 1 . 1 85 85 LEU N N 15 131.096 0.3 . 1 . . . . . 85 LEU N . 50970 1 405 . 1 . 1 86 86 GLN H H 1 9.878 0.020 . 1 . . . . . 86 GLN H . 50970 1 406 . 1 . 1 86 86 GLN C C 13 176.363 0.3 . 1 . . . . . 86 GLN C . 50970 1 407 . 1 . 1 86 86 GLN CA C 13 58.044 0.3 . 1 . . . . . 86 GLN CA . 50970 1 408 . 1 . 1 86 86 GLN CB C 13 29.276 0.3 . 1 . . . . . 86 GLN CB . 50970 1 409 . 1 . 1 86 86 GLN N N 15 121.360 0.3 . 1 . . . . . 86 GLN N . 50970 1 410 . 1 . 1 87 87 GLY H H 1 8.548 0.020 . 1 . . . . . 87 GLY H . 50970 1 411 . 1 . 1 87 87 GLY C C 13 174.676 0.3 . 1 . . . . . 87 GLY C . 50970 1 412 . 1 . 1 87 87 GLY CA C 13 45.400 0.3 . 1 . . . . . 87 GLY CA . 50970 1 413 . 1 . 1 87 87 GLY N N 15 104.401 0.3 . 1 . . . . . 87 GLY N . 50970 1 414 . 1 . 1 88 88 HIS H H 1 7.702 0.020 . 1 . . . . . 88 HIS H . 50970 1 415 . 1 . 1 88 88 HIS C C 13 174.947 0.3 . 1 . . . . . 88 HIS C . 50970 1 416 . 1 . 1 88 88 HIS CA C 13 57.730 0.3 . 1 . . . . . 88 HIS CA . 50970 1 417 . 1 . 1 88 88 HIS CB C 13 28.312 0.3 . 1 . . . . . 88 HIS CB . 50970 1 418 . 1 . 1 88 88 HIS N N 15 114.318 0.3 . 1 . . . . . 88 HIS N . 50970 1 419 . 1 . 1 89 89 SER H H 1 8.626 0.020 . 1 . . . . . 89 SER H . 50970 1 420 . 1 . 1 89 89 SER C C 13 173.795 0.3 . 1 . . . . . 89 SER C . 50970 1 421 . 1 . 1 89 89 SER CA C 13 60.950 0.3 . 1 . . . . . 89 SER CA . 50970 1 422 . 1 . 1 89 89 SER CB C 13 62.950 0.3 . 1 . . . . . 89 SER CB . 50970 1 423 . 1 . 1 89 89 SER N N 15 108.725 0.3 . 1 . . . . . 89 SER N . 50970 1 424 . 1 . 1 90 90 LEU H H 1 8.501 0.020 . 1 . . . . . 90 LEU H . 50970 1 425 . 1 . 1 90 90 LEU C C 13 175.794 0.3 . 1 . . . . . 90 LEU C . 50970 1 426 . 1 . 1 90 90 LEU CA C 13 56.283 0.3 . 1 . . . . . 90 LEU CA . 50970 1 427 . 1 . 1 90 90 LEU CB C 13 42.038 0.3 . 1 . . . . . 90 LEU CB . 50970 1 428 . 1 . 1 90 90 LEU N N 15 122.774 0.3 . 1 . . . . . 90 LEU N . 50970 1 429 . 1 . 1 91 91 ALA H H 1 7.261 0.020 . 1 . . . . . 91 ALA H . 50970 1 430 . 1 . 1 91 91 ALA C C 13 175.944 0.3 . 1 . . . . . 91 ALA C . 50970 1 431 . 1 . 1 91 91 ALA CA C 13 50.294 0.3 . 1 . . . . . 91 ALA CA . 50970 1 432 . 1 . 1 91 91 ALA CB C 13 21.348 0.3 . 1 . . . . . 91 ALA CB . 50970 1 433 . 1 . 1 91 91 ALA N N 15 115.823 0.3 . 1 . . . . . 91 ALA N . 50970 1 434 . 1 . 1 92 92 LYS H H 1 8.864 0.020 . 1 . . . . . 92 LYS H . 50970 1 435 . 1 . 1 92 92 LYS C C 13 177.284 0.3 . 1 . . . . . 92 LYS C . 50970 1 436 . 1 . 1 92 92 LYS CA C 13 60.545 0.3 . 1 . . . . . 92 LYS CA . 50970 1 437 . 1 . 1 92 92 LYS CB C 13 32.550 0.3 . 1 . . . . . 92 LYS CB . 50970 1 438 . 1 . 1 92 92 LYS N N 15 122.427 0.3 . 1 . . . . . 92 LYS N . 50970 1 439 . 1 . 1 93 93 ASN H H 1 7.412 0.020 . 1 . . . . . 93 ASN H . 50970 1 440 . 1 . 1 93 93 ASN C C 13 172.161 0.3 . 1 . . . . . 93 ASN C . 50970 1 441 . 1 . 1 93 93 ASN CA C 13 54.030 0.3 . 1 . . . . . 93 ASN CA . 50970 1 442 . 1 . 1 93 93 ASN CB C 13 47.300 0.3 . 1 . . . . . 93 ASN CB . 50970 1 443 . 1 . 1 93 93 ASN N N 15 108.345 0.3 . 1 . . . . . 93 ASN N . 50970 1 444 . 1 . 1 94 94 ILE H H 1 7.053 0.020 . 1 . . . . . 94 ILE H . 50970 1 445 . 1 . 1 94 94 ILE C C 13 173.533 0.3 . 1 . . . . . 94 ILE C . 50970 1 446 . 1 . 1 94 94 ILE CA C 13 59.760 0.3 . 1 . . . . . 94 ILE CA . 50970 1 447 . 1 . 1 94 94 ILE CB C 13 39.829 0.3 . 1 . . . . . 94 ILE CB . 50970 1 448 . 1 . 1 94 94 ILE N N 15 119.556 0.3 . 1 . . . . . 94 ILE N . 50970 1 449 . 1 . 1 95 95 LEU H H 1 8.575 0.020 . 1 . . . . . 95 LEU H . 50970 1 450 . 1 . 1 95 95 LEU C C 13 174.323 0.3 . 1 . . . . . 95 LEU C . 50970 1 451 . 1 . 1 95 95 LEU CA C 13 52.510 0.3 . 1 . . . . . 95 LEU CA . 50970 1 452 . 1 . 1 95 95 LEU CB C 13 43.340 0.3 . 1 . . . . . 95 LEU CB . 50970 1 453 . 1 . 1 95 95 LEU N N 15 129.777 0.3 . 1 . . . . . 95 LEU N . 50970 1 454 . 1 . 1 96 96 HIS H H 1 9.138 0.020 . 1 . . . . . 96 HIS H . 50970 1 455 . 1 . 1 96 96 HIS C C 13 174.942 0.3 . 1 . . . . . 96 HIS C . 50970 1 456 . 1 . 1 96 96 HIS CA C 13 56.180 0.3 . 1 . . . . . 96 HIS CA . 50970 1 457 . 1 . 1 96 96 HIS CB C 13 31.535 0.3 . 1 . . . . . 96 HIS CB . 50970 1 458 . 1 . 1 96 96 HIS N N 15 130.030 0.3 . 1 . . . . . 96 HIS N . 50970 1 459 . 1 . 1 97 97 VAL H H 1 8.669 0.020 . 1 . . . . . 97 VAL H . 50970 1 460 . 1 . 1 97 97 VAL C C 13 173.976 0.3 . 1 . . . . . 97 VAL C . 50970 1 461 . 1 . 1 97 97 VAL CA C 13 59.831 0.3 . 1 . . . . . 97 VAL CA . 50970 1 462 . 1 . 1 97 97 VAL CB C 13 34.420 0.3 . 1 . . . . . 97 VAL CB . 50970 1 463 . 1 . 1 97 97 VAL N N 15 120.671 0.3 . 1 . . . . . 97 VAL N . 50970 1 464 . 1 . 1 98 98 VAL H H 1 8.064 0.020 . 1 . . . . . 98 VAL H . 50970 1 465 . 1 . 1 98 98 VAL C C 13 175.405 0.3 . 1 . . . . . 98 VAL C . 50970 1 466 . 1 . 1 98 98 VAL CA C 13 60.711 0.3 . 1 . . . . . 98 VAL CA . 50970 1 467 . 1 . 1 98 98 VAL CB C 13 30.435 0.3 . 1 . . . . . 98 VAL CB . 50970 1 468 . 1 . 1 98 98 VAL N N 15 125.951 0.3 . 1 . . . . . 98 VAL N . 50970 1 469 . 1 . 1 99 99 GLY H H 1 9.001 0.020 . 1 . . . . . 99 GLY H . 50970 1 470 . 1 . 1 99 99 GLY C C 13 170.353 0.3 . 1 . . . . . 99 GLY C . 50970 1 471 . 1 . 1 99 99 GLY CA C 13 44.060 0.3 . 1 . . . . . 99 GLY CA . 50970 1 472 . 1 . 1 99 99 GLY N N 15 114.701 0.3 . 1 . . . . . 99 GLY N . 50970 1 473 . 1 . 1 100 100 PRO C C 13 175.369 0.3 . 1 . . . . . 100 PRO C . 50970 1 474 . 1 . 1 100 100 PRO CA C 13 62.120 0.3 . 1 . . . . . 100 PRO CA . 50970 1 475 . 1 . 1 100 100 PRO CB C 13 32.150 0.3 . 1 . . . . . 100 PRO CB . 50970 1 476 . 1 . 1 101 101 ASP H H 1 8.660 0.020 . 1 . . . . . 101 ASP H . 50970 1 477 . 1 . 1 101 101 ASP C C 13 178.070 0.3 . 1 . . . . . 101 ASP C . 50970 1 478 . 1 . 1 101 101 ASP CA C 13 51.860 0.3 . 1 . . . . . 101 ASP CA . 50970 1 479 . 1 . 1 101 101 ASP CB C 13 40.170 0.3 . 1 . . . . . 101 ASP CB . 50970 1 480 . 1 . 1 101 101 ASP N N 15 120.839 0.3 . 1 . . . . . 101 ASP N . 50970 1 481 . 1 . 1 102 102 ALA H H 1 9.363 0.020 . 1 . . . . . 102 ALA H . 50970 1 482 . 1 . 1 102 102 ALA C C 13 181.856 0.3 . 1 . . . . . 102 ALA C . 50970 1 483 . 1 . 1 102 102 ALA CA C 13 54.780 0.3 . 1 . . . . . 102 ALA CA . 50970 1 484 . 1 . 1 102 102 ALA CB C 13 18.220 0.3 . 1 . . . . . 102 ALA CB . 50970 1 485 . 1 . 1 102 102 ALA N N 15 130.140 0.3 . 1 . . . . . 102 ALA N . 50970 1 486 . 1 . 1 103 103 ARG H H 1 8.452 0.020 . 1 . . . . . 103 ARG H . 50970 1 487 . 1 . 1 103 103 ARG C C 13 177.901 0.3 . 1 . . . . . 103 ARG C . 50970 1 488 . 1 . 1 103 103 ARG CA C 13 58.449 0.3 . 1 . . . . . 103 ARG CA . 50970 1 489 . 1 . 1 103 103 ARG CB C 13 29.690 0.3 . 1 . . . . . 103 ARG CB . 50970 1 490 . 1 . 1 103 103 ARG N N 15 119.346 0.3 . 1 . . . . . 103 ARG N . 50970 1 491 . 1 . 1 104 104 ALA H H 1 6.737 0.020 . 1 . . . . . 104 ALA H . 50970 1 492 . 1 . 1 104 104 ALA C C 13 175.868 0.3 . 1 . . . . . 104 ALA C . 50970 1 493 . 1 . 1 104 104 ALA CA C 13 50.592 0.3 . 1 . . . . . 104 ALA CA . 50970 1 494 . 1 . 1 104 104 ALA CB C 13 18.930 0.3 . 1 . . . . . 104 ALA CB . 50970 1 495 . 1 . 1 104 104 ALA N N 15 118.672 0.3 . 1 . . . . . 104 ALA N . 50970 1 496 . 1 . 1 105 105 LYS H H 1 7.724 0.020 . 1 . . . . . 105 LYS H . 50970 1 497 . 1 . 1 105 105 LYS C C 13 176.090 0.3 . 1 . . . . . 105 LYS C . 50970 1 498 . 1 . 1 105 105 LYS CA C 13 57.110 0.3 . 1 . . . . . 105 LYS CA . 50970 1 499 . 1 . 1 105 105 LYS CB C 13 28.580 0.3 . 1 . . . . . 105 LYS CB . 50970 1 500 . 1 . 1 105 105 LYS N N 15 113.369 0.3 . 1 . . . . . 105 LYS N . 50970 1 501 . 1 . 1 106 106 GLN H H 1 6.886 0.020 . 1 . . . . . 106 GLN H . 50970 1 502 . 1 . 1 106 106 GLN C C 13 175.546 0.3 . 1 . . . . . 106 GLN C . 50970 1 503 . 1 . 1 106 106 GLN CA C 13 55.668 0.3 . 1 . . . . . 106 GLN CA . 50970 1 504 . 1 . 1 106 106 GLN CB C 13 28.369 0.3 . 1 . . . . . 106 GLN CB . 50970 1 505 . 1 . 1 106 106 GLN N N 15 116.461 0.3 . 1 . . . . . 106 GLN N . 50970 1 506 . 1 . 1 107 107 ASP H H 1 8.265 0.020 . 1 . . . . . 107 ASP H . 50970 1 507 . 1 . 1 107 107 ASP C C 13 176.790 0.3 . 1 . . . . . 107 ASP C . 50970 1 508 . 1 . 1 107 107 ASP CA C 13 54.503 0.3 . 1 . . . . . 107 ASP CA . 50970 1 509 . 1 . 1 107 107 ASP CB C 13 41.280 0.3 . 1 . . . . . 107 ASP CB . 50970 1 510 . 1 . 1 107 107 ASP N N 15 120.236 0.3 . 1 . . . . . 107 ASP N . 50970 1 511 . 1 . 1 108 108 VAL H H 1 8.329 0.020 . 1 . . . . . 108 VAL H . 50970 1 512 . 1 . 1 108 108 VAL C C 13 175.991 0.3 . 1 . . . . . 108 VAL C . 50970 1 513 . 1 . 1 108 108 VAL CA C 13 65.409 0.3 . 1 . . . . . 108 VAL CA . 50970 1 514 . 1 . 1 108 108 VAL CB C 13 31.980 0.3 . 1 . . . . . 108 VAL CB . 50970 1 515 . 1 . 1 108 108 VAL N N 15 127.859 0.3 . 1 . . . . . 108 VAL N . 50970 1 516 . 1 . 1 109 109 SER H H 1 8.365 0.020 . 1 . . . . . 109 SER H . 50970 1 517 . 1 . 1 109 109 SER C C 13 177.468 0.3 . 1 . . . . . 109 SER C . 50970 1 518 . 1 . 1 109 109 SER CA C 13 60.930 0.3 . 1 . . . . . 109 SER CA . 50970 1 519 . 1 . 1 109 109 SER CB C 13 63.030 0.3 . 1 . . . . . 109 SER CB . 50970 1 520 . 1 . 1 109 109 SER N N 15 114.397 0.3 . 1 . . . . . 109 SER N . 50970 1 521 . 1 . 1 110 110 LEU H H 1 7.802 0.020 . 1 . . . . . 110 LEU H . 50970 1 522 . 1 . 1 110 110 LEU C C 13 178.728 0.3 . 1 . . . . . 110 LEU C . 50970 1 523 . 1 . 1 110 110 LEU CA C 13 57.260 0.3 . 1 . . . . . 110 LEU CA . 50970 1 524 . 1 . 1 110 110 LEU CB C 13 41.780 0.3 . 1 . . . . . 110 LEU CB . 50970 1 525 . 1 . 1 110 110 LEU N N 15 124.504 0.3 . 1 . . . . . 110 LEU N . 50970 1 526 . 1 . 1 111 111 LEU H H 1 8.252 0.020 . 1 . . . . . 111 LEU H . 50970 1 527 . 1 . 1 111 111 LEU C C 13 178.734 0.3 . 1 . . . . . 111 LEU C . 50970 1 528 . 1 . 1 111 111 LEU CA C 13 58.064 0.3 . 1 . . . . . 111 LEU CA . 50970 1 529 . 1 . 1 111 111 LEU CB C 13 41.633 0.3 . 1 . . . . . 111 LEU CB . 50970 1 530 . 1 . 1 111 111 LEU N N 15 119.775 0.3 . 1 . . . . . 111 LEU N . 50970 1 531 . 1 . 1 112 112 SER H H 1 7.663 0.020 . 1 . . . . . 112 SER H . 50970 1 532 . 1 . 1 112 112 SER C C 13 175.572 0.3 . 1 . . . . . 112 SER C . 50970 1 533 . 1 . 1 112 112 SER CA C 13 63.460 0.3 . 1 . . . . . 112 SER CA . 50970 1 534 . 1 . 1 112 112 SER CB C 13 63.370 0.3 . 1 . . . . . 112 SER CB . 50970 1 535 . 1 . 1 112 112 SER N N 15 113.616 0.3 . 1 . . . . . 112 SER N . 50970 1 536 . 1 . 1 113 113 LYS H H 1 6.924 0.020 . 1 . . . . . 113 LYS H . 50970 1 537 . 1 . 1 113 113 LYS C C 13 180.089 0.3 . 1 . . . . . 113 LYS C . 50970 1 538 . 1 . 1 113 113 LYS CA C 13 60.047 0.3 . 1 . . . . . 113 LYS CA . 50970 1 539 . 1 . 1 113 113 LYS CB C 13 33.010 0.3 . 1 . . . . . 113 LYS CB . 50970 1 540 . 1 . 1 113 113 LYS N N 15 119.942 0.3 . 1 . . . . . 113 LYS N . 50970 1 541 . 1 . 1 114 114 CYS H H 1 7.363 0.020 . 1 . . . . . 114 CYS H . 50970 1 542 . 1 . 1 114 114 CYS C C 13 174.766 0.3 . 1 . . . . . 114 CYS C . 50970 1 543 . 1 . 1 114 114 CYS CA C 13 63.381 0.3 . 1 . . . . . 114 CYS CA . 50970 1 544 . 1 . 1 114 114 CYS CB C 13 27.060 0.3 . 1 . . . . . 114 CYS CB . 50970 1 545 . 1 . 1 114 114 CYS N N 15 117.575 0.3 . 1 . . . . . 114 CYS N . 50970 1 546 . 1 . 1 115 115 TYR H H 1 7.794 0.020 . 1 . . . . . 115 TYR H . 50970 1 547 . 1 . 1 115 115 TYR C C 13 179.234 0.3 . 1 . . . . . 115 TYR C . 50970 1 548 . 1 . 1 115 115 TYR CA C 13 61.439 0.3 . 1 . . . . . 115 TYR CA . 50970 1 549 . 1 . 1 115 115 TYR CB C 13 38.018 0.3 . 1 . . . . . 115 TYR CB . 50970 1 550 . 1 . 1 115 115 TYR N N 15 113.644 0.3 . 1 . . . . . 115 TYR N . 50970 1 551 . 1 . 1 116 116 LYS H H 1 8.488 0.020 . 1 . . . . . 116 LYS H . 50970 1 552 . 1 . 1 116 116 LYS C C 13 179.767 0.3 . 1 . . . . . 116 LYS C . 50970 1 553 . 1 . 1 116 116 LYS CA C 13 60.380 0.3 . 1 . . . . . 116 LYS CA . 50970 1 554 . 1 . 1 116 116 LYS CB C 13 32.667 0.3 . 1 . . . . . 116 LYS CB . 50970 1 555 . 1 . 1 116 116 LYS N N 15 119.971 0.3 . 1 . . . . . 116 LYS N . 50970 1 556 . 1 . 1 117 117 ALA H H 1 7.145 0.020 . 1 . . . . . 117 ALA H . 50970 1 557 . 1 . 1 117 117 ALA C C 13 178.901 0.3 . 1 . . . . . 117 ALA C . 50970 1 558 . 1 . 1 117 117 ALA CA C 13 54.479 0.3 . 1 . . . . . 117 ALA CA . 50970 1 559 . 1 . 1 117 117 ALA CB C 13 18.389 0.3 . 1 . . . . . 117 ALA CB . 50970 1 560 . 1 . 1 117 117 ALA N N 15 119.335 0.3 . 1 . . . . . 117 ALA N . 50970 1 561 . 1 . 1 118 118 MET H H 1 7.394 0.020 . 1 . . . . . 118 MET H . 50970 1 562 . 1 . 1 118 118 MET C C 13 175.302 0.3 . 1 . . . . . 118 MET C . 50970 1 563 . 1 . 1 118 118 MET CA C 13 58.440 0.3 . 1 . . . . . 118 MET CA . 50970 1 564 . 1 . 1 118 118 MET CB C 13 31.512 0.3 . 1 . . . . . 118 MET CB . 50970 1 565 . 1 . 1 118 118 MET N N 15 113.776 0.3 . 1 . . . . . 118 MET N . 50970 1 566 . 1 . 1 119 119 ASN H H 1 7.073 0.020 . 1 . . . . . 119 ASN H . 50970 1 567 . 1 . 1 119 119 ASN C C 13 174.824 0.3 . 1 . . . . . 119 ASN C . 50970 1 568 . 1 . 1 119 119 ASN CA C 13 54.389 0.3 . 1 . . . . . 119 ASN CA . 50970 1 569 . 1 . 1 119 119 ASN CB C 13 38.170 0.3 . 1 . . . . . 119 ASN CB . 50970 1 570 . 1 . 1 119 119 ASN N N 15 110.905 0.3 . 1 . . . . . 119 ASN N . 50970 1 571 . 1 . 1 120 120 ALA H H 1 6.478 0.020 . 1 . . . . . 120 ALA H . 50970 1 572 . 1 . 1 120 120 ALA C C 13 175.202 0.3 . 1 . . . . . 120 ALA C . 50970 1 573 . 1 . 1 120 120 ALA CA C 13 52.540 0.3 . 1 . . . . . 120 ALA CA . 50970 1 574 . 1 . 1 120 120 ALA CB C 13 18.110 0.3 . 1 . . . . . 120 ALA CB . 50970 1 575 . 1 . 1 120 120 ALA N N 15 119.871 0.3 . 1 . . . . . 120 ALA N . 50970 1 576 . 1 . 1 121 121 TYR H H 1 7.072 0.020 . 1 . . . . . 121 TYR H . 50970 1 577 . 1 . 1 121 121 TYR CA C 13 54.810 0.3 . 1 . . . . . 121 TYR CA . 50970 1 578 . 1 . 1 121 121 TYR CB C 13 38.880 0.3 . 1 . . . . . 121 TYR CB . 50970 1 579 . 1 . 1 121 121 TYR N N 15 118.966 0.3 . 1 . . . . . 121 TYR N . 50970 1 580 . 1 . 1 122 122 PRO C C 13 175.680 0.3 . 1 . . . . . 122 PRO C . 50970 1 581 . 1 . 1 122 122 PRO CA C 13 64.730 0.3 . 1 . . . . . 122 PRO CA . 50970 1 582 . 1 . 1 122 122 PRO CB C 13 32.300 0.3 . 1 . . . . . 122 PRO CB . 50970 1 583 . 1 . 1 123 123 LEU H H 1 7.502 0.020 . 1 . . . . . 123 LEU H . 50970 1 584 . 1 . 1 123 123 LEU C C 13 174.902 0.3 . 1 . . . . . 123 LEU C . 50970 1 585 . 1 . 1 123 123 LEU CA C 13 55.471 0.3 . 1 . . . . . 123 LEU CA . 50970 1 586 . 1 . 1 123 123 LEU CB C 13 44.035 0.3 . 1 . . . . . 123 LEU CB . 50970 1 587 . 1 . 1 123 123 LEU N N 15 118.333 0.3 . 1 . . . . . 123 LEU N . 50970 1 588 . 1 . 1 124 124 VAL H H 1 8.912 0.020 . 1 . . . . . 124 VAL H . 50970 1 589 . 1 . 1 124 124 VAL C C 13 173.194 0.3 . 1 . . . . . 124 VAL C . 50970 1 590 . 1 . 1 124 124 VAL CA C 13 61.010 0.3 . 1 . . . . . 124 VAL CA . 50970 1 591 . 1 . 1 124 124 VAL CB C 13 35.713 0.3 . 1 . . . . . 124 VAL CB . 50970 1 592 . 1 . 1 124 124 VAL N N 15 130.265 0.3 . 1 . . . . . 124 VAL N . 50970 1 593 . 1 . 1 125 125 VAL H H 1 8.860 0.020 . 1 . . . . . 125 VAL H . 50970 1 594 . 1 . 1 125 125 VAL C C 13 174.119 0.3 . 1 . . . . . 125 VAL C . 50970 1 595 . 1 . 1 125 125 VAL CA C 13 61.088 0.3 . 1 . . . . . 125 VAL CA . 50970 1 596 . 1 . 1 125 125 VAL CB C 13 33.430 0.3 . 1 . . . . . 125 VAL CB . 50970 1 597 . 1 . 1 125 125 VAL N N 15 127.692 0.3 . 1 . . . . . 125 VAL N . 50970 1 598 . 1 . 1 126 126 THR H H 1 9.109 0.020 . 1 . . . . . 126 THR H . 50970 1 599 . 1 . 1 126 126 THR CA C 13 56.610 0.3 . 1 . . . . . 126 THR CA . 50970 1 600 . 1 . 1 126 126 THR CB C 13 72.690 0.3 . 1 . . . . . 126 THR CB . 50970 1 601 . 1 . 1 126 126 THR N N 15 121.265 0.3 . 1 . . . . . 126 THR N . 50970 1 602 . 1 . 1 127 127 PRO C C 13 176.572 0.3 . 1 . . . . . 127 PRO C . 50970 1 603 . 1 . 1 127 127 PRO CA C 13 62.020 0.3 . 1 . . . . . 127 PRO CA . 50970 1 604 . 1 . 1 127 127 PRO CB C 13 33.270 0.3 . 1 . . . . . 127 PRO CB . 50970 1 605 . 1 . 1 128 128 LEU H H 1 8.638 0.020 . 1 . . . . . 128 LEU H . 50970 1 606 . 1 . 1 128 128 LEU C C 13 176.416 0.3 . 1 . . . . . 128 LEU C . 50970 1 607 . 1 . 1 128 128 LEU CA C 13 54.487 0.3 . 1 . . . . . 128 LEU CA . 50970 1 608 . 1 . 1 128 128 LEU CB C 13 41.480 0.3 . 1 . . . . . 128 LEU CB . 50970 1 609 . 1 . 1 128 128 LEU N N 15 117.024 0.3 . 1 . . . . . 128 LEU N . 50970 1 610 . 1 . 1 129 129 VAL H H 1 7.746 0.020 . 1 . . . . . 129 VAL H . 50970 1 611 . 1 . 1 129 129 VAL C C 13 176.094 0.3 . 1 . . . . . 129 VAL C . 50970 1 612 . 1 . 1 129 129 VAL CA C 13 65.630 0.3 . 1 . . . . . 129 VAL CA . 50970 1 613 . 1 . 1 129 129 VAL CB C 13 31.142 0.3 . 1 . . . . . 129 VAL CB . 50970 1 614 . 1 . 1 129 129 VAL N N 15 130.099 0.3 . 1 . . . . . 129 VAL N . 50970 1 615 . 1 . 1 130 130 SER H H 1 8.564 0.020 . 1 . . . . . 130 SER H . 50970 1 616 . 1 . 1 130 130 SER C C 13 171.297 0.3 . 1 . . . . . 130 SER C . 50970 1 617 . 1 . 1 130 130 SER CA C 13 63.951 0.3 . 1 . . . . . 130 SER CA . 50970 1 618 . 1 . 1 130 130 SER CB C 13 61.013 0.3 . 1 . . . . . 130 SER CB . 50970 1 619 . 1 . 1 130 130 SER N N 15 117.686 0.3 . 1 . . . . . 130 SER N . 50970 1 620 . 1 . 1 131 131 ALA H H 1 7.130 0.020 . 1 . . . . . 131 ALA H . 50970 1 621 . 1 . 1 131 131 ALA C C 13 177.892 0.3 . 1 . . . . . 131 ALA C . 50970 1 622 . 1 . 1 131 131 ALA CA C 13 51.420 0.3 . 1 . . . . . 131 ALA CA . 50970 1 623 . 1 . 1 131 131 ALA CB C 13 19.735 0.3 . 1 . . . . . 131 ALA CB . 50970 1 624 . 1 . 1 131 131 ALA N N 15 119.863 0.3 . 1 . . . . . 131 ALA N . 50970 1 625 . 1 . 1 132 132 GLY H H 1 8.552 0.020 . 1 . . . . . 132 GLY H . 50970 1 626 . 1 . 1 132 132 GLY C C 13 176.225 0.3 . 1 . . . . . 132 GLY C . 50970 1 627 . 1 . 1 132 132 GLY CA C 13 45.243 0.3 . 1 . . . . . 132 GLY CA . 50970 1 628 . 1 . 1 132 132 GLY N N 15 111.900 0.3 . 1 . . . . . 132 GLY N . 50970 1 629 . 1 . 1 133 133 ILE H H 1 8.791 0.020 . 1 . . . . . 133 ILE H . 50970 1 630 . 1 . 1 133 133 ILE CA C 13 63.820 0.3 . 1 . . . . . 133 ILE CA . 50970 1 631 . 1 . 1 133 133 ILE CB C 13 38.400 0.3 . 1 . . . . . 133 ILE CB . 50970 1 632 . 1 . 1 133 133 ILE N N 15 129.084 0.3 . 1 . . . . . 133 ILE N . 50970 1 633 . 1 . 1 134 134 PHE H H 1 7.757 0.020 . 1 . . . . . 134 PHE H . 50970 1 634 . 1 . 1 134 134 PHE C C 13 178.589 0.3 . 1 . . . . . 134 PHE C . 50970 1 635 . 1 . 1 134 134 PHE CA C 13 56.319 0.3 . 1 . . . . . 134 PHE CA . 50970 1 636 . 1 . 1 134 134 PHE CB C 13 37.027 0.3 . 1 . . . . . 134 PHE CB . 50970 1 637 . 1 . 1 134 134 PHE N N 15 118.804 0.3 . 1 . . . . . 134 PHE N . 50970 1 638 . 1 . 1 135 135 GLY H H 1 7.858 0.020 . 1 . . . . . 135 GLY H . 50970 1 639 . 1 . 1 135 135 GLY C C 13 175.159 0.3 . 1 . . . . . 135 GLY C . 50970 1 640 . 1 . 1 135 135 GLY CA C 13 47.700 0.3 . 1 . . . . . 135 GLY CA . 50970 1 641 . 1 . 1 135 135 GLY N N 15 102.533 0.3 . 1 . . . . . 135 GLY N . 50970 1 642 . 1 . 1 136 136 VAL H H 1 8.495 0.020 . 1 . . . . . 136 VAL H . 50970 1 643 . 1 . 1 136 136 VAL C C 13 176.281 0.3 . 1 . . . . . 136 VAL C . 50970 1 644 . 1 . 1 136 136 VAL CA C 13 62.396 0.3 . 1 . . . . . 136 VAL CA . 50970 1 645 . 1 . 1 136 136 VAL CB C 13 31.428 0.3 . 1 . . . . . 136 VAL CB . 50970 1 646 . 1 . 1 136 136 VAL N N 15 123.132 0.3 . 1 . . . . . 136 VAL N . 50970 1 647 . 1 . 1 137 137 LYS H H 1 8.789 0.020 . 1 . . . . . 137 LYS H . 50970 1 648 . 1 . 1 137 137 LYS CA C 13 55.635 0.3 . 1 . . . . . 137 LYS CA . 50970 1 649 . 1 . 1 137 137 LYS CB C 13 31.800 0.3 . 1 . . . . . 137 LYS CB . 50970 1 650 . 1 . 1 137 137 LYS N N 15 129.020 0.3 . 1 . . . . . 137 LYS N . 50970 1 651 . 1 . 1 138 138 PRO C C 13 177.404 0.3 . 1 . . . . . 138 PRO C . 50970 1 652 . 1 . 1 138 138 PRO CA C 13 66.790 0.3 . 1 . . . . . 138 PRO CA . 50970 1 653 . 1 . 1 138 138 PRO CB C 13 32.230 0.3 . 1 . . . . . 138 PRO CB . 50970 1 654 . 1 . 1 139 139 ALA H H 1 8.699 0.020 . 1 . . . . . 139 ALA H . 50970 1 655 . 1 . 1 139 139 ALA C C 13 180.064 0.3 . 1 . . . . . 139 ALA C . 50970 1 656 . 1 . 1 139 139 ALA CA C 13 55.654 0.3 . 1 . . . . . 139 ALA CA . 50970 1 657 . 1 . 1 139 139 ALA CB C 13 18.690 0.3 . 1 . . . . . 139 ALA CB . 50970 1 658 . 1 . 1 139 139 ALA N N 15 115.615 0.3 . 1 . . . . . 139 ALA N . 50970 1 659 . 1 . 1 140 140 VAL H H 1 7.205 0.020 . 1 . . . . . 140 VAL H . 50970 1 660 . 1 . 1 140 140 VAL C C 13 177.542 0.3 . 1 . . . . . 140 VAL C . 50970 1 661 . 1 . 1 140 140 VAL CA C 13 65.542 0.3 . 1 . . . . . 140 VAL CA . 50970 1 662 . 1 . 1 140 140 VAL CB C 13 31.716 0.3 . 1 . . . . . 140 VAL CB . 50970 1 663 . 1 . 1 140 140 VAL N N 15 117.998 0.3 . 1 . . . . . 140 VAL N . 50970 1 664 . 1 . 1 141 141 SER H H 1 7.461 0.020 . 1 . . . . . 141 SER H . 50970 1 665 . 1 . 1 141 141 SER C C 13 176.827 0.3 . 1 . . . . . 141 SER C . 50970 1 666 . 1 . 1 141 141 SER CA C 13 61.810 0.3 . 1 . . . . . 141 SER CA . 50970 1 667 . 1 . 1 141 141 SER CB C 13 63.490 0.3 . 1 . . . . . 141 SER CB . 50970 1 668 . 1 . 1 141 141 SER N N 15 111.650 0.3 . 1 . . . . . 141 SER N . 50970 1 669 . 1 . 1 142 142 PHE H H 1 8.874 0.020 . 1 . . . . . 142 PHE H . 50970 1 670 . 1 . 1 142 142 PHE C C 13 175.398 0.3 . 1 . . . . . 142 PHE C . 50970 1 671 . 1 . 1 142 142 PHE CA C 13 60.470 0.3 . 1 . . . . . 142 PHE CA . 50970 1 672 . 1 . 1 142 142 PHE CB C 13 40.083 0.3 . 1 . . . . . 142 PHE CB . 50970 1 673 . 1 . 1 142 142 PHE N N 15 116.935 0.3 . 1 . . . . . 142 PHE N . 50970 1 674 . 1 . 1 143 143 ASP H H 1 7.678 0.020 . 1 . . . . . 143 ASP H . 50970 1 675 . 1 . 1 143 143 ASP C C 13 178.297 0.3 . 1 . . . . . 143 ASP C . 50970 1 676 . 1 . 1 143 143 ASP CA C 13 58.020 0.3 . 1 . . . . . 143 ASP CA . 50970 1 677 . 1 . 1 143 143 ASP CB C 13 41.927 0.3 . 1 . . . . . 143 ASP CB . 50970 1 678 . 1 . 1 143 143 ASP N N 15 118.646 0.3 . 1 . . . . . 143 ASP N . 50970 1 679 . 1 . 1 144 144 TYR H H 1 7.636 0.020 . 1 . . . . . 144 TYR H . 50970 1 680 . 1 . 1 144 144 TYR C C 13 176.742 0.3 . 1 . . . . . 144 TYR C . 50970 1 681 . 1 . 1 144 144 TYR CA C 13 64.000 0.3 . 1 . . . . . 144 TYR CA . 50970 1 682 . 1 . 1 144 144 TYR CB C 13 39.287 0.3 . 1 . . . . . 144 TYR CB . 50970 1 683 . 1 . 1 144 144 TYR N N 15 114.741 0.3 . 1 . . . . . 144 TYR N . 50970 1 684 . 1 . 1 145 145 LEU H H 1 7.253 0.020 . 1 . . . . . 145 LEU H . 50970 1 685 . 1 . 1 145 145 LEU C C 13 178.216 0.3 . 1 . . . . . 145 LEU C . 50970 1 686 . 1 . 1 145 145 LEU CA C 13 59.266 0.3 . 1 . . . . . 145 LEU CA . 50970 1 687 . 1 . 1 145 145 LEU CB C 13 39.983 0.3 . 1 . . . . . 145 LEU CB . 50970 1 688 . 1 . 1 145 145 LEU N N 15 121.252 0.3 . 1 . . . . . 145 LEU N . 50970 1 689 . 1 . 1 146 146 ILE H H 1 8.152 0.020 . 1 . . . . . 146 ILE H . 50970 1 690 . 1 . 1 146 146 ILE C C 13 178.661 0.3 . 1 . . . . . 146 ILE C . 50970 1 691 . 1 . 1 146 146 ILE CA C 13 63.570 0.3 . 1 . . . . . 146 ILE CA . 50970 1 692 . 1 . 1 146 146 ILE CB C 13 37.002 0.3 . 1 . . . . . 146 ILE CB . 50970 1 693 . 1 . 1 146 146 ILE N N 15 117.035 0.3 . 1 . . . . . 146 ILE N . 50970 1 694 . 1 . 1 147 147 ARG H H 1 7.576 0.020 . 1 . . . . . 147 ARG H . 50970 1 695 . 1 . 1 147 147 ARG C C 13 178.176 0.3 . 1 . . . . . 147 ARG C . 50970 1 696 . 1 . 1 147 147 ARG CA C 13 59.114 0.3 . 1 . . . . . 147 ARG CA . 50970 1 697 . 1 . 1 147 147 ARG CB C 13 30.890 0.3 . 1 . . . . . 147 ARG CB . 50970 1 698 . 1 . 1 147 147 ARG N N 15 117.972 0.3 . 1 . . . . . 147 ARG N . 50970 1 699 . 1 . 1 148 148 GLU H H 1 7.457 0.020 . 1 . . . . . 148 GLU H . 50970 1 700 . 1 . 1 148 148 GLU C C 13 178.918 0.3 . 1 . . . . . 148 GLU C . 50970 1 701 . 1 . 1 148 148 GLU CA C 13 55.320 0.3 . 1 . . . . . 148 GLU CA . 50970 1 702 . 1 . 1 148 148 GLU CB C 13 31.391 0.3 . 1 . . . . . 148 GLU CB . 50970 1 703 . 1 . 1 148 148 GLU N N 15 113.936 0.3 . 1 . . . . . 148 GLU N . 50970 1 704 . 1 . 1 149 149 ALA H H 1 8.245 0.020 . 1 . . . . . 149 ALA H . 50970 1 705 . 1 . 1 149 149 ALA C C 13 178.338 0.3 . 1 . . . . . 149 ALA C . 50970 1 706 . 1 . 1 149 149 ALA CA C 13 55.089 0.3 . 1 . . . . . 149 ALA CA . 50970 1 707 . 1 . 1 149 149 ALA CB C 13 18.545 0.3 . 1 . . . . . 149 ALA CB . 50970 1 708 . 1 . 1 149 149 ALA N N 15 122.974 0.3 . 1 . . . . . 149 ALA N . 50970 1 709 . 1 . 1 150 150 LYS H H 1 9.073 0.020 . 1 . . . . . 150 LYS H . 50970 1 710 . 1 . 1 150 150 LYS C C 13 175.371 0.3 . 1 . . . . . 150 LYS C . 50970 1 711 . 1 . 1 150 150 LYS CA C 13 55.178 0.3 . 1 . . . . . 150 LYS CA . 50970 1 712 . 1 . 1 150 150 LYS CB C 13 34.420 0.3 . 1 . . . . . 150 LYS CB . 50970 1 713 . 1 . 1 150 150 LYS N N 15 122.725 0.3 . 1 . . . . . 150 LYS N . 50970 1 714 . 1 . 1 151 151 THR H H 1 7.137 0.020 . 1 . . . . . 151 THR H . 50970 1 715 . 1 . 1 151 151 THR C C 13 171.686 0.3 . 1 . . . . . 151 THR C . 50970 1 716 . 1 . 1 151 151 THR CA C 13 57.628 0.3 . 1 . . . . . 151 THR CA . 50970 1 717 . 1 . 1 151 151 THR CB C 13 70.380 0.3 . 1 . . . . . 151 THR CB . 50970 1 718 . 1 . 1 151 151 THR N N 15 115.775 0.3 . 1 . . . . . 151 THR N . 50970 1 719 . 1 . 1 152 152 ARG H H 1 7.423 0.020 . 1 . . . . . 152 ARG H . 50970 1 720 . 1 . 1 152 152 ARG C C 13 174.057 0.3 . 1 . . . . . 152 ARG C . 50970 1 721 . 1 . 1 152 152 ARG CA C 13 57.088 0.3 . 1 . . . . . 152 ARG CA . 50970 1 722 . 1 . 1 152 152 ARG CB C 13 29.551 0.3 . 1 . . . . . 152 ARG CB . 50970 1 723 . 1 . 1 152 152 ARG N N 15 120.444 0.3 . 1 . . . . . 152 ARG N . 50970 1 724 . 1 . 1 153 153 VAL H H 1 8.738 0.020 . 1 . . . . . 153 VAL H . 50970 1 725 . 1 . 1 153 153 VAL C C 13 175.228 0.3 . 1 . . . . . 153 VAL C . 50970 1 726 . 1 . 1 153 153 VAL CA C 13 61.142 0.3 . 1 . . . . . 153 VAL CA . 50970 1 727 . 1 . 1 153 153 VAL CB C 13 35.028 0.3 . 1 . . . . . 153 VAL CB . 50970 1 728 . 1 . 1 153 153 VAL N N 15 126.663 0.3 . 1 . . . . . 153 VAL N . 50970 1 729 . 1 . 1 154 154 LEU H H 1 9.223 0.020 . 1 . . . . . 154 LEU H . 50970 1 730 . 1 . 1 154 154 LEU C C 13 174.735 0.3 . 1 . . . . . 154 LEU C . 50970 1 731 . 1 . 1 154 154 LEU CA C 13 52.790 0.3 . 1 . . . . . 154 LEU CA . 50970 1 732 . 1 . 1 154 154 LEU CB C 13 41.690 0.3 . 1 . . . . . 154 LEU CB . 50970 1 733 . 1 . 1 154 154 LEU N N 15 129.068 0.3 . 1 . . . . . 154 LEU N . 50970 1 734 . 1 . 1 155 155 VAL H H 1 9.015 0.020 . 1 . . . . . 155 VAL H . 50970 1 735 . 1 . 1 155 155 VAL C C 13 174.362 0.3 . 1 . . . . . 155 VAL C . 50970 1 736 . 1 . 1 155 155 VAL CA C 13 58.812 0.3 . 1 . . . . . 155 VAL CA . 50970 1 737 . 1 . 1 155 155 VAL CB C 13 32.750 0.3 . 1 . . . . . 155 VAL CB . 50970 1 738 . 1 . 1 155 155 VAL N N 15 124.836 0.3 . 1 . . . . . 155 VAL N . 50970 1 739 . 1 . 1 156 156 VAL H H 1 8.915 0.020 . 1 . . . . . 156 VAL H . 50970 1 740 . 1 . 1 156 156 VAL C C 13 176.413 0.3 . 1 . . . . . 156 VAL C . 50970 1 741 . 1 . 1 156 156 VAL CA C 13 60.770 0.3 . 1 . . . . . 156 VAL CA . 50970 1 742 . 1 . 1 156 156 VAL CB C 13 33.040 0.3 . 1 . . . . . 156 VAL CB . 50970 1 743 . 1 . 1 156 156 VAL N N 15 127.835 0.3 . 1 . . . . . 156 VAL N . 50970 1 744 . 1 . 1 157 157 VAL H H 1 9.157 0.020 . 1 . . . . . 157 VAL H . 50970 1 745 . 1 . 1 157 157 VAL C C 13 174.035 0.3 . 1 . . . . . 157 VAL C . 50970 1 746 . 1 . 1 157 157 VAL CA C 13 59.487 0.3 . 1 . . . . . 157 VAL CA . 50970 1 747 . 1 . 1 157 157 VAL CB C 13 34.560 0.3 . 1 . . . . . 157 VAL CB . 50970 1 748 . 1 . 1 157 157 VAL N N 15 123.322 0.3 . 1 . . . . . 157 VAL N . 50970 1 749 . 1 . 1 158 158 ASN H H 1 8.573 0.020 . 1 . . . . . 158 ASN H . 50970 1 750 . 1 . 1 158 158 ASN C C 13 175.324 0.3 . 1 . . . . . 158 ASN C . 50970 1 751 . 1 . 1 158 158 ASN CA C 13 53.352 0.3 . 1 . . . . . 158 ASN CA . 50970 1 752 . 1 . 1 158 158 ASN CB C 13 39.501 0.3 . 1 . . . . . 158 ASN CB . 50970 1 753 . 1 . 1 158 158 ASN N N 15 119.400 0.3 . 1 . . . . . 158 ASN N . 50970 1 754 . 1 . 1 159 159 SER H H 1 7.120 0.020 . 1 . . . . . 159 SER H . 50970 1 755 . 1 . 1 159 159 SER C C 13 178.074 0.3 . 1 . . . . . 159 SER C . 50970 1 756 . 1 . 1 159 159 SER CA C 13 55.948 0.3 . 1 . . . . . 159 SER CA . 50970 1 757 . 1 . 1 159 159 SER CB C 13 64.668 0.3 . 1 . . . . . 159 SER CB . 50970 1 758 . 1 . 1 159 159 SER N N 15 112.171 0.3 . 1 . . . . . 159 SER N . 50970 1 759 . 1 . 1 160 160 GLN H H 1 9.356 0.020 . 1 . . . . . 160 GLN H . 50970 1 760 . 1 . 1 160 160 GLN C C 13 177.141 0.3 . 1 . . . . . 160 GLN C . 50970 1 761 . 1 . 1 160 160 GLN CA C 13 59.610 0.3 . 1 . . . . . 160 GLN CA . 50970 1 762 . 1 . 1 160 160 GLN CB C 13 28.570 0.3 . 1 . . . . . 160 GLN CB . 50970 1 763 . 1 . 1 160 160 GLN N N 15 129.854 0.3 . 1 . . . . . 160 GLN N . 50970 1 764 . 1 . 1 161 161 ASP H H 1 8.381 0.020 . 1 . . . . . 161 ASP H . 50970 1 765 . 1 . 1 161 161 ASP C C 13 179.097 0.3 . 1 . . . . . 161 ASP C . 50970 1 766 . 1 . 1 161 161 ASP CA C 13 57.635 0.3 . 1 . . . . . 161 ASP CA . 50970 1 767 . 1 . 1 161 161 ASP CB C 13 40.340 0.3 . 1 . . . . . 161 ASP CB . 50970 1 768 . 1 . 1 161 161 ASP N N 15 118.730 0.3 . 1 . . . . . 161 ASP N . 50970 1 769 . 1 . 1 162 162 VAL H H 1 7.529 0.020 . 1 . . . . . 162 VAL H . 50970 1 770 . 1 . 1 162 162 VAL C C 13 178.049 0.3 . 1 . . . . . 162 VAL C . 50970 1 771 . 1 . 1 162 162 VAL CA C 13 66.172 0.3 . 1 . . . . . 162 VAL CA . 50970 1 772 . 1 . 1 162 162 VAL CB C 13 32.387 0.3 . 1 . . . . . 162 VAL CB . 50970 1 773 . 1 . 1 162 162 VAL N N 15 121.629 0.3 . 1 . . . . . 162 VAL N . 50970 1 774 . 1 . 1 163 163 TYR H H 1 8.287 0.020 . 1 . . . . . 163 TYR H . 50970 1 775 . 1 . 1 163 163 TYR C C 13 178.126 0.3 . 1 . . . . . 163 TYR C . 50970 1 776 . 1 . 1 163 163 TYR CA C 13 63.215 0.3 . 1 . . . . . 163 TYR CA . 50970 1 777 . 1 . 1 163 163 TYR CB C 13 39.742 0.3 . 1 . . . . . 163 TYR CB . 50970 1 778 . 1 . 1 163 163 TYR N N 15 120.615 0.3 . 1 . . . . . 163 TYR N . 50970 1 779 . 1 . 1 164 164 LYS H H 1 8.729 0.020 . 1 . . . . . 164 LYS H . 50970 1 780 . 1 . 1 164 164 LYS C C 13 178.701 0.3 . 1 . . . . . 164 LYS C . 50970 1 781 . 1 . 1 164 164 LYS CA C 13 59.810 0.3 . 1 . . . . . 164 LYS CA . 50970 1 782 . 1 . 1 164 164 LYS CB C 13 32.220 0.3 . 1 . . . . . 164 LYS CB . 50970 1 783 . 1 . 1 164 164 LYS N N 15 118.660 0.3 . 1 . . . . . 164 LYS N . 50970 1 784 . 1 . 1 165 165 SER H H 1 7.648 0.020 . 1 . . . . . 165 SER H . 50970 1 785 . 1 . 1 165 165 SER C C 13 175.671 0.3 . 1 . . . . . 165 SER C . 50970 1 786 . 1 . 1 165 165 SER CA C 13 61.493 0.3 . 1 . . . . . 165 SER CA . 50970 1 787 . 1 . 1 165 165 SER CB C 13 63.475 0.3 . 1 . . . . . 165 SER CB . 50970 1 788 . 1 . 1 165 165 SER N N 15 113.940 0.3 . 1 . . . . . 165 SER N . 50970 1 789 . 1 . 1 166 166 LEU H H 1 7.498 0.020 . 1 . . . . . 166 LEU H . 50970 1 790 . 1 . 1 166 166 LEU C C 13 177.205 0.3 . 1 . . . . . 166 LEU C . 50970 1 791 . 1 . 1 166 166 LEU CA C 13 55.974 0.3 . 1 . . . . . 166 LEU CA . 50970 1 792 . 1 . 1 166 166 LEU CB C 13 41.958 0.3 . 1 . . . . . 166 LEU CB . 50970 1 793 . 1 . 1 166 166 LEU N N 15 119.030 0.3 . 1 . . . . . 166 LEU N . 50970 1 794 . 1 . 1 167 167 THR H H 1 7.312 0.020 . 1 . . . . . 167 THR H . 50970 1 795 . 1 . 1 167 167 THR C C 13 174.945 0.3 . 1 . . . . . 167 THR C . 50970 1 796 . 1 . 1 167 167 THR CA C 13 62.598 0.3 . 1 . . . . . 167 THR CA . 50970 1 797 . 1 . 1 167 167 THR CB C 13 70.256 0.3 . 1 . . . . . 167 THR CB . 50970 1 798 . 1 . 1 167 167 THR N N 15 105.482 0.3 . 1 . . . . . 167 THR N . 50970 1 799 . 1 . 1 168 168 ILE H H 1 7.349 0.020 . 1 . . . . . 168 ILE H . 50970 1 800 . 1 . 1 168 168 ILE C C 13 175.876 0.3 . 1 . . . . . 168 ILE C . 50970 1 801 . 1 . 1 168 168 ILE CA C 13 61.746 0.3 . 1 . . . . . 168 ILE CA . 50970 1 802 . 1 . 1 168 168 ILE CB C 13 38.460 0.3 . 1 . . . . . 168 ILE CB . 50970 1 803 . 1 . 1 168 168 ILE N N 15 118.658 0.3 . 1 . . . . . 168 ILE N . 50970 1 804 . 1 . 1 169 169 VAL H H 1 7.548 0.020 . 1 . . . . . 169 VAL H . 50970 1 805 . 1 . 1 169 169 VAL C C 13 175.540 0.3 . 1 . . . . . 169 VAL C . 50970 1 806 . 1 . 1 169 169 VAL CA C 13 62.414 0.3 . 1 . . . . . 169 VAL CA . 50970 1 807 . 1 . 1 169 169 VAL CB C 13 33.073 0.3 . 1 . . . . . 169 VAL CB . 50970 1 808 . 1 . 1 169 169 VAL N N 15 121.838 0.3 . 1 . . . . . 169 VAL N . 50970 1 809 . 1 . 1 170 170 ASP H H 1 8.380 0.020 . 1 . . . . . 170 ASP H . 50970 1 810 . 1 . 1 170 170 ASP C C 13 175.765 0.3 . 1 . . . . . 170 ASP C . 50970 1 811 . 1 . 1 170 170 ASP CA C 13 54.496 0.3 . 1 . . . . . 170 ASP CA . 50970 1 812 . 1 . 1 170 170 ASP CB C 13 41.529 0.3 . 1 . . . . . 170 ASP CB . 50970 1 813 . 1 . 1 170 170 ASP N N 15 124.373 0.3 . 1 . . . . . 170 ASP N . 50970 1 814 . 1 . 1 171 171 ILE H H 1 8.237 0.020 . 1 . . . . . 171 ILE H . 50970 1 815 . 1 . 1 171 171 ILE CA C 13 59.863 0.3 . 1 . . . . . 171 ILE CA . 50970 1 816 . 1 . 1 171 171 ILE CB C 13 43.301 0.3 . 1 . . . . . 171 ILE CB . 50970 1 817 . 1 . 1 171 171 ILE N N 15 122.733 0.3 . 1 . . . . . 171 ILE N . 50970 1 818 . 1 . 1 173 173 GLN C C 13 176.443 0.3 . 1 . . . . . 173 GLN C . 50970 1 819 . 1 . 1 173 173 GLN CA C 13 56.537 0.3 . 1 . . . . . 173 GLN CA . 50970 1 820 . 1 . 1 173 173 GLN CB C 13 29.168 0.3 . 1 . . . . . 173 GLN CB . 50970 1 821 . 1 . 1 174 174 LEU H H 1 8.159 0.020 . 1 . . . . . 174 LEU H . 50970 1 822 . 1 . 1 174 174 LEU C C 13 177.740 0.3 . 1 . . . . . 174 LEU C . 50970 1 823 . 1 . 1 174 174 LEU CA C 13 55.922 0.3 . 1 . . . . . 174 LEU CA . 50970 1 824 . 1 . 1 174 174 LEU CB C 13 42.491 0.3 . 1 . . . . . 174 LEU CB . 50970 1 825 . 1 . 1 174 174 LEU N N 15 122.749 0.3 . 1 . . . . . 174 LEU N . 50970 1 826 . 1 . 1 175 175 GLU H H 1 8.206 0.020 . 1 . . . . . 175 GLU H . 50970 1 827 . 1 . 1 175 175 GLU C C 13 176.729 0.3 . 1 . . . . . 175 GLU C . 50970 1 828 . 1 . 1 175 175 GLU CA C 13 57.056 0.3 . 1 . . . . . 175 GLU CA . 50970 1 829 . 1 . 1 175 175 GLU CB C 13 30.052 0.3 . 1 . . . . . 175 GLU CB . 50970 1 830 . 1 . 1 175 175 GLU N N 15 120.056 0.3 . 1 . . . . . 175 GLU N . 50970 1 831 . 1 . 1 176 176 LEU H H 1 8.047 0.020 . 1 . . . . . 176 LEU H . 50970 1 832 . 1 . 1 176 176 LEU C C 13 177.581 0.3 . 1 . . . . . 176 LEU C . 50970 1 833 . 1 . 1 176 176 LEU CA C 13 55.761 0.3 . 1 . . . . . 176 LEU CA . 50970 1 834 . 1 . 1 176 176 LEU CB C 13 42.427 0.3 . 1 . . . . . 176 LEU CB . 50970 1 835 . 1 . 1 176 176 LEU N N 15 122.223 0.3 . 1 . . . . . 176 LEU N . 50970 1 836 . 1 . 1 177 177 GLU H H 1 8.307 0.020 . 1 . . . . . 177 GLU H . 50970 1 837 . 1 . 1 177 177 GLU C C 13 176.539 0.3 . 1 . . . . . 177 GLU C . 50970 1 838 . 1 . 1 177 177 GLU CA C 13 56.999 0.3 . 1 . . . . . 177 GLU CA . 50970 1 839 . 1 . 1 177 177 GLU CB C 13 29.898 0.3 . 1 . . . . . 177 GLU CB . 50970 1 840 . 1 . 1 177 177 GLU N N 15 120.616 0.3 . 1 . . . . . 177 GLU N . 50970 1 841 . 1 . 1 178 178 HIS H H 1 8.131 0.020 . 1 . . . . . 178 HIS H . 50970 1 842 . 1 . 1 178 178 HIS C C 13 174.017 0.3 . 1 . . . . . 178 HIS C . 50970 1 843 . 1 . 1 178 178 HIS CA C 13 56.507 0.3 . 1 . . . . . 178 HIS CA . 50970 1 844 . 1 . 1 178 178 HIS CB C 13 30.326 0.3 . 1 . . . . . 178 HIS CB . 50970 1 845 . 1 . 1 178 178 HIS N N 15 119.047 0.3 . 1 . . . . . 178 HIS N . 50970 1 846 . 1 . 1 179 179 HIS H H 1 7.979 0.020 . 1 . . . . . 179 HIS H . 50970 1 847 . 1 . 1 179 179 HIS CA C 13 57.594 0.3 . 1 . . . . . 179 HIS CA . 50970 1 848 . 1 . 1 179 179 HIS CB C 13 30.594 0.3 . 1 . . . . . 179 HIS CB . 50970 1 849 . 1 . 1 179 179 HIS N N 15 125.459 0.3 . 1 . . . . . 179 HIS N . 50970 1 stop_ save_