data_50380 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50380 _Entry.Title ; Hepatits C virus NS5A protein AHD1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-07 _Entry.Accession_date 2020-07-07 _Entry.Last_release_date 2020-07-07 _Entry.Original_release_date 2020-07-07 _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 solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'solid-state NMR chemical shift assignments of the Hepatits C virus NS5A protein AHD1 domain' _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 Vlastimil Jirasko . . . 0000-0003-1561-1499 50380 2 Alons Lends . . . 0000-0001-7883-613X 50380 3 Nils-Alexander Lakomek . . . 0000-0002-4285-6339 50380 4 Marie-Laure Fogeron . . . . 50380 5 Marco Weber . E. . . 50380 6 Alexander Malar . A. . . 50380 7 Susanne Smith-Penzel . . . . 50380 8 Ralf Bartenschlager . . . . 50380 9 Beat Meier . H. . 0000-0002-9107-4464 50380 10 Anja Bockmann . . . 0000-0001-8149-7941 50380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 50380 '15N chemical shifts' 97 50380 '1H chemical shifts' 97 50380 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-03-11 . original BMRB . 50380 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50380 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33205864 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dimer Organization of Membrane-Associated NS5A of Hepatitis C Virus as Determined by Highly Sensitive 1 H-Detected Solid-State NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 10 _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 5339 _Citation.Page_last 5347 _Citation.Year 2021 _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 Vlastimil Jirasko . . . . 50380 1 2 Alons Lends . . . . 50380 1 3 Nils-Alexander Lakomek . . . . 50380 1 4 Marie-Laure Fogeron . . . . 50380 1 5 Marco Weber . E. . . 50380 1 6 Alexander Malar . A. . . 50380 1 7 Susanne Smith-Penzel . . . . 50380 1 8 Ralf Bartenschlager . . . . 50380 1 9 Beat Meier . H. . . 50380 1 10 Anja Bockmann . . . . 50380 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'solid-state NMR, membrane proteins, HCV, NS5A, fast MAS' 50380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50380 _Assembly.ID 1 _Assembly.Name 'NS5A AHD1 domain' _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 yes _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 'NS5A AHD1 domain' 1 $entity_1 . . yes native yes no . . . 50380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50380 _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 ; MSGSWLRDVWDWVCTILTDF KNWLTSKLFPKLPGLPFISC QKGYKGVWAGTGIMTTRCPC GANISGNVRLGSMRITGPKT CMNTWQGTFPINCYTEGQCA PKPPTNYKTAIWRVAASEYA EVTQHGSYSYVTGLTTDNLK IPCQLPSPEFFSWVDGVQIH RFAPTPKPFFRDEVSFCVGL NSYAVGSQLPCEPEPDADVL RSMLTDPPHITAETGSAWSH PQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 224 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 SER . 50380 1 2 1 GLY . 50380 1 3 2 SER . 50380 1 4 3 TRP . 50380 1 5 4 LEU . 50380 1 6 5 ARG . 50380 1 7 6 ASP . 50380 1 8 7 VAL . 50380 1 9 8 TRP . 50380 1 10 9 ASP . 50380 1 11 10 TRP . 50380 1 12 11 VAL . 50380 1 13 12 CYS . 50380 1 14 13 THR . 50380 1 15 14 ILE . 50380 1 16 15 LEU . 50380 1 17 16 THR . 50380 1 18 17 ASP . 50380 1 19 18 PHE . 50380 1 20 19 LYS . 50380 1 21 20 ASN . 50380 1 22 21 TRP . 50380 1 23 22 LEU . 50380 1 24 23 THR . 50380 1 25 24 SER . 50380 1 26 25 LYS . 50380 1 27 26 LEU . 50380 1 28 27 PHE . 50380 1 29 28 PRO . 50380 1 30 29 LYS . 50380 1 31 30 LEU . 50380 1 32 31 PRO . 50380 1 33 32 GLY . 50380 1 34 33 LEU . 50380 1 35 34 PRO . 50380 1 36 35 PHE . 50380 1 37 36 ILE . 50380 1 38 37 SER . 50380 1 39 38 CYS . 50380 1 40 39 GLN . 50380 1 41 40 LYS . 50380 1 42 41 GLY . 50380 1 43 42 TYR . 50380 1 44 43 LYS . 50380 1 45 44 GLY . 50380 1 46 45 VAL . 50380 1 47 46 TRP . 50380 1 48 47 ALA . 50380 1 49 48 GLY . 50380 1 50 49 THR . 50380 1 51 50 GLY . 50380 1 52 51 ILE . 50380 1 53 52 MET . 50380 1 54 53 THR . 50380 1 55 54 THR . 50380 1 56 55 ARG . 50380 1 57 56 CYS . 50380 1 58 57 PRO . 50380 1 59 58 CYS . 50380 1 60 59 GLY . 50380 1 61 60 ALA . 50380 1 62 61 ASN . 50380 1 63 62 ILE . 50380 1 64 63 SER . 50380 1 65 64 GLY . 50380 1 66 65 ASN . 50380 1 67 66 VAL . 50380 1 68 67 ARG . 50380 1 69 68 LEU . 50380 1 70 69 GLY . 50380 1 71 70 SER . 50380 1 72 71 MET . 50380 1 73 72 ARG . 50380 1 74 73 ILE . 50380 1 75 74 THR . 50380 1 76 75 GLY . 50380 1 77 76 PRO . 50380 1 78 77 LYS . 50380 1 79 78 THR . 50380 1 80 79 CYS . 50380 1 81 80 MET . 50380 1 82 81 ASN . 50380 1 83 82 THR . 50380 1 84 83 TRP . 50380 1 85 84 GLN . 50380 1 86 85 GLY . 50380 1 87 86 THR . 50380 1 88 87 PHE . 50380 1 89 88 PRO . 50380 1 90 89 ILE . 50380 1 91 90 ASN . 50380 1 92 91 CYS . 50380 1 93 92 TYR . 50380 1 94 93 THR . 50380 1 95 94 GLU . 50380 1 96 95 GLY . 50380 1 97 96 GLN . 50380 1 98 97 CYS . 50380 1 99 98 ALA . 50380 1 100 99 PRO . 50380 1 101 100 LYS . 50380 1 102 101 PRO . 50380 1 103 102 PRO . 50380 1 104 103 THR . 50380 1 105 104 ASN . 50380 1 106 105 TYR . 50380 1 107 106 LYS . 50380 1 108 107 THR . 50380 1 109 108 ALA . 50380 1 110 109 ILE . 50380 1 111 110 TRP . 50380 1 112 111 ARG . 50380 1 113 112 VAL . 50380 1 114 113 ALA . 50380 1 115 114 ALA . 50380 1 116 115 SER . 50380 1 117 116 GLU . 50380 1 118 117 TYR . 50380 1 119 118 ALA . 50380 1 120 119 GLU . 50380 1 121 120 VAL . 50380 1 122 121 THR . 50380 1 123 122 GLN . 50380 1 124 123 HIS . 50380 1 125 124 GLY . 50380 1 126 125 SER . 50380 1 127 126 TYR . 50380 1 128 127 SER . 50380 1 129 128 TYR . 50380 1 130 129 VAL . 50380 1 131 130 THR . 50380 1 132 131 GLY . 50380 1 133 132 LEU . 50380 1 134 133 THR . 50380 1 135 134 THR . 50380 1 136 135 ASP . 50380 1 137 136 ASN . 50380 1 138 137 LEU . 50380 1 139 138 LYS . 50380 1 140 139 ILE . 50380 1 141 140 PRO . 50380 1 142 141 CYS . 50380 1 143 142 GLN . 50380 1 144 143 LEU . 50380 1 145 144 PRO . 50380 1 146 145 SER . 50380 1 147 146 PRO . 50380 1 148 147 GLU . 50380 1 149 148 PHE . 50380 1 150 149 PHE . 50380 1 151 150 SER . 50380 1 152 151 TRP . 50380 1 153 152 VAL . 50380 1 154 153 ASP . 50380 1 155 154 GLY . 50380 1 156 155 VAL . 50380 1 157 156 GLN . 50380 1 158 157 ILE . 50380 1 159 158 HIS . 50380 1 160 159 ARG . 50380 1 161 160 PHE . 50380 1 162 161 ALA . 50380 1 163 162 PRO . 50380 1 164 163 THR . 50380 1 165 164 PRO . 50380 1 166 165 LYS . 50380 1 167 166 PRO . 50380 1 168 167 PHE . 50380 1 169 168 PHE . 50380 1 170 169 ARG . 50380 1 171 170 ASP . 50380 1 172 171 GLU . 50380 1 173 172 VAL . 50380 1 174 173 SER . 50380 1 175 174 PHE . 50380 1 176 175 CYS . 50380 1 177 176 VAL . 50380 1 178 177 GLY . 50380 1 179 178 LEU . 50380 1 180 179 ASN . 50380 1 181 180 SER . 50380 1 182 181 TYR . 50380 1 183 182 ALA . 50380 1 184 183 VAL . 50380 1 185 184 GLY . 50380 1 186 185 SER . 50380 1 187 186 GLN . 50380 1 188 187 LEU . 50380 1 189 188 PRO . 50380 1 190 189 CYS . 50380 1 191 190 GLU . 50380 1 192 191 PRO . 50380 1 193 192 GLU . 50380 1 194 193 PRO . 50380 1 195 194 ASP . 50380 1 196 195 ALA . 50380 1 197 196 ASP . 50380 1 198 197 VAL . 50380 1 199 198 LEU . 50380 1 200 199 ARG . 50380 1 201 200 SER . 50380 1 202 201 MET . 50380 1 203 202 LEU . 50380 1 204 203 THR . 50380 1 205 204 ASP . 50380 1 206 205 PRO . 50380 1 207 206 PRO . 50380 1 208 207 HIS . 50380 1 209 208 ILE . 50380 1 210 209 THR . 50380 1 211 210 ALA . 50380 1 212 211 GLU . 50380 1 213 212 THR . 50380 1 214 213 GLY . 50380 1 215 214 SER . 50380 1 216 215 ALA . 50380 1 217 216 TRP . 50380 1 218 217 SER . 50380 1 219 218 HIS . 50380 1 220 219 PRO . 50380 1 221 220 GLN . 50380 1 222 221 PHE . 50380 1 223 222 GLU . 50380 1 224 223 LYS . 50380 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 . SER 1 1 50380 1 . GLY 2 2 50380 1 . SER 3 3 50380 1 . TRP 4 4 50380 1 . LEU 5 5 50380 1 . ARG 6 6 50380 1 . ASP 7 7 50380 1 . VAL 8 8 50380 1 . TRP 9 9 50380 1 . ASP 10 10 50380 1 . TRP 11 11 50380 1 . VAL 12 12 50380 1 . CYS 13 13 50380 1 . THR 14 14 50380 1 . ILE 15 15 50380 1 . LEU 16 16 50380 1 . THR 17 17 50380 1 . ASP 18 18 50380 1 . PHE 19 19 50380 1 . LYS 20 20 50380 1 . ASN 21 21 50380 1 . TRP 22 22 50380 1 . LEU 23 23 50380 1 . THR 24 24 50380 1 . SER 25 25 50380 1 . LYS 26 26 50380 1 . LEU 27 27 50380 1 . PHE 28 28 50380 1 . PRO 29 29 50380 1 . LYS 30 30 50380 1 . LEU 31 31 50380 1 . PRO 32 32 50380 1 . GLY 33 33 50380 1 . LEU 34 34 50380 1 . PRO 35 35 50380 1 . PHE 36 36 50380 1 . ILE 37 37 50380 1 . SER 38 38 50380 1 . CYS 39 39 50380 1 . GLN 40 40 50380 1 . LYS 41 41 50380 1 . GLY 42 42 50380 1 . TYR 43 43 50380 1 . LYS 44 44 50380 1 . GLY 45 45 50380 1 . VAL 46 46 50380 1 . TRP 47 47 50380 1 . ALA 48 48 50380 1 . GLY 49 49 50380 1 . THR 50 50 50380 1 . GLY 51 51 50380 1 . ILE 52 52 50380 1 . MET 53 53 50380 1 . THR 54 54 50380 1 . THR 55 55 50380 1 . ARG 56 56 50380 1 . CYS 57 57 50380 1 . PRO 58 58 50380 1 . CYS 59 59 50380 1 . GLY 60 60 50380 1 . ALA 61 61 50380 1 . ASN 62 62 50380 1 . ILE 63 63 50380 1 . SER 64 64 50380 1 . GLY 65 65 50380 1 . ASN 66 66 50380 1 . VAL 67 67 50380 1 . ARG 68 68 50380 1 . LEU 69 69 50380 1 . GLY 70 70 50380 1 . SER 71 71 50380 1 . MET 72 72 50380 1 . ARG 73 73 50380 1 . ILE 74 74 50380 1 . THR 75 75 50380 1 . GLY 76 76 50380 1 . PRO 77 77 50380 1 . LYS 78 78 50380 1 . THR 79 79 50380 1 . CYS 80 80 50380 1 . MET 81 81 50380 1 . ASN 82 82 50380 1 . THR 83 83 50380 1 . TRP 84 84 50380 1 . GLN 85 85 50380 1 . GLY 86 86 50380 1 . THR 87 87 50380 1 . PHE 88 88 50380 1 . PRO 89 89 50380 1 . ILE 90 90 50380 1 . ASN 91 91 50380 1 . CYS 92 92 50380 1 . TYR 93 93 50380 1 . THR 94 94 50380 1 . GLU 95 95 50380 1 . GLY 96 96 50380 1 . GLN 97 97 50380 1 . CYS 98 98 50380 1 . ALA 99 99 50380 1 . PRO 100 100 50380 1 . LYS 101 101 50380 1 . PRO 102 102 50380 1 . PRO 103 103 50380 1 . THR 104 104 50380 1 . ASN 105 105 50380 1 . TYR 106 106 50380 1 . LYS 107 107 50380 1 . THR 108 108 50380 1 . ALA 109 109 50380 1 . ILE 110 110 50380 1 . TRP 111 111 50380 1 . ARG 112 112 50380 1 . VAL 113 113 50380 1 . ALA 114 114 50380 1 . ALA 115 115 50380 1 . SER 116 116 50380 1 . GLU 117 117 50380 1 . TYR 118 118 50380 1 . ALA 119 119 50380 1 . GLU 120 120 50380 1 . VAL 121 121 50380 1 . THR 122 122 50380 1 . GLN 123 123 50380 1 . HIS 124 124 50380 1 . GLY 125 125 50380 1 . SER 126 126 50380 1 . TYR 127 127 50380 1 . SER 128 128 50380 1 . TYR 129 129 50380 1 . VAL 130 130 50380 1 . THR 131 131 50380 1 . GLY 132 132 50380 1 . LEU 133 133 50380 1 . THR 134 134 50380 1 . THR 135 135 50380 1 . ASP 136 136 50380 1 . ASN 137 137 50380 1 . LEU 138 138 50380 1 . LYS 139 139 50380 1 . ILE 140 140 50380 1 . PRO 141 141 50380 1 . CYS 142 142 50380 1 . GLN 143 143 50380 1 . LEU 144 144 50380 1 . PRO 145 145 50380 1 . SER 146 146 50380 1 . PRO 147 147 50380 1 . GLU 148 148 50380 1 . PHE 149 149 50380 1 . PHE 150 150 50380 1 . SER 151 151 50380 1 . TRP 152 152 50380 1 . VAL 153 153 50380 1 . ASP 154 154 50380 1 . GLY 155 155 50380 1 . VAL 156 156 50380 1 . GLN 157 157 50380 1 . ILE 158 158 50380 1 . HIS 159 159 50380 1 . ARG 160 160 50380 1 . PHE 161 161 50380 1 . ALA 162 162 50380 1 . PRO 163 163 50380 1 . THR 164 164 50380 1 . PRO 165 165 50380 1 . LYS 166 166 50380 1 . PRO 167 167 50380 1 . PHE 168 168 50380 1 . PHE 169 169 50380 1 . ARG 170 170 50380 1 . ASP 171 171 50380 1 . GLU 172 172 50380 1 . VAL 173 173 50380 1 . SER 174 174 50380 1 . PHE 175 175 50380 1 . CYS 176 176 50380 1 . VAL 177 177 50380 1 . GLY 178 178 50380 1 . LEU 179 179 50380 1 . ASN 180 180 50380 1 . SER 181 181 50380 1 . TYR 182 182 50380 1 . ALA 183 183 50380 1 . VAL 184 184 50380 1 . GLY 185 185 50380 1 . SER 186 186 50380 1 . GLN 187 187 50380 1 . LEU 188 188 50380 1 . PRO 189 189 50380 1 . CYS 190 190 50380 1 . GLU 191 191 50380 1 . PRO 192 192 50380 1 . GLU 193 193 50380 1 . PRO 194 194 50380 1 . ASP 195 195 50380 1 . ALA 196 196 50380 1 . ASP 197 197 50380 1 . VAL 198 198 50380 1 . LEU 199 199 50380 1 . ARG 200 200 50380 1 . SER 201 201 50380 1 . MET 202 202 50380 1 . LEU 203 203 50380 1 . THR 204 204 50380 1 . ASP 205 205 50380 1 . PRO 206 206 50380 1 . PRO 207 207 50380 1 . HIS 208 208 50380 1 . ILE 209 209 50380 1 . THR 210 210 50380 1 . ALA 211 211 50380 1 . GLU 212 212 50380 1 . THR 213 213 50380 1 . GLY 214 214 50380 1 . SER 215 215 50380 1 . ALA 216 216 50380 1 . TRP 217 217 50380 1 . SER 218 218 50380 1 . HIS 219 219 50380 1 . PRO 220 220 50380 1 . GLN 221 221 50380 1 . PHE 222 222 50380 1 . GLU 223 223 50380 1 . LYS 224 224 50380 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 50380 _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 . 11103 virus . 'Hepatitis C Virus' 'Hepacivirus C' . . Viruses . Hepacivirus 'Hepacivirus C' . . . . . . . . . . . ORF AB047639 50380 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 50380 _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 . 'cell free synthesis' 'wheat germ - cell free' . . . . . . . . plasmid . . pEU-01 . . . 50380 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50380 _Sample.ID 1 _Sample.Name 'HCV NS5A AHD1' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 'NS5A AHD1 domain' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . ug 100 . . . 50380 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 50380 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NS5A AHD1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50380 1 pH 8 . pH 50380 1 pressure 1 . atm 50380 1 temperature 296 3 K 50380 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50380 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50380 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III wide-bore spectrometer' _NMR_spectrometer.Details 'Bruker MAS probe 0.7 mm' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50380 _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 . . . . . . . . . . . . . . . . . 50380 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50380 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50380 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50380 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 50380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 internal indirect . . . . . . 50380 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 50380 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect . . . . . . 50380 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 50380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NS5A_AHD1 _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 1 '2D 1H-15N HSQC' . . . 50380 1 2 '3D HNCO' . . . 50380 1 3 '3D HNCA' . . . 50380 1 4 '3D HNCACB' . . . 50380 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50380 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 40 40 GLN H H 1 7.595 0.040 . 1 . . . . . 39 GLN H . 50380 1 2 . 1 . 1 40 40 GLN C C 13 175.956 0.047 . 1 . . . . . 39 GLN C . 50380 1 3 . 1 . 1 40 40 GLN CA C 13 53.878 0.060 . 1 . . . . . 39 GLN CA . 50380 1 4 . 1 . 1 40 40 GLN CB C 13 29.414 0.097 . 1 . . . . . 39 GLN CB . 50380 1 5 . 1 . 1 40 40 GLN N N 15 124.939 0.191 . 1 . . . . . 39 GLN N . 50380 1 6 . 1 . 1 41 41 LYS H H 1 9.247 0.024 . 1 . . . . . 40 LYS H . 50380 1 7 . 1 . 1 41 41 LYS C C 13 176.049 0.065 . 1 . . . . . 40 LYS C . 50380 1 8 . 1 . 1 41 41 LYS CA C 13 57.443 0.122 . 1 . . . . . 40 LYS CA . 50380 1 9 . 1 . 1 41 41 LYS CB C 13 31.255 0.000 . 1 . . . . . 40 LYS CB . 50380 1 10 . 1 . 1 41 41 LYS N N 15 129.136 0.130 . 1 . . . . . 40 LYS N . 50380 1 11 . 1 . 1 42 42 GLY H H 1 8.169 0.011 . 1 . . . . . 41 GLY H . 50380 1 12 . 1 . 1 42 42 GLY C C 13 170.387 0.106 . 1 . . . . . 41 GLY C . 50380 1 13 . 1 . 1 42 42 GLY CA C 13 43.310 0.043 . 1 . . . . . 41 GLY CA . 50380 1 14 . 1 . 1 42 42 GLY N N 15 116.639 0.124 . 1 . . . . . 41 GLY N . 50380 1 15 . 1 . 1 43 43 TYR H H 1 8.448 0.021 . 1 . . . . . 42 TYR H . 50380 1 16 . 1 . 1 43 43 TYR C C 13 175.734 0.029 . 1 . . . . . 42 TYR C . 50380 1 17 . 1 . 1 43 43 TYR CA C 13 58.431 0.047 . 1 . . . . . 42 TYR CA . 50380 1 18 . 1 . 1 43 43 TYR CB C 13 39.914 0.200 . 1 . . . . . 42 TYR CB . 50380 1 19 . 1 . 1 43 43 TYR N N 15 119.309 0.125 . 1 . . . . . 42 TYR N . 50380 1 20 . 1 . 1 44 44 LYS H H 1 7.826 0.013 . 1 . . . . . 43 LYS H . 50380 1 21 . 1 . 1 44 44 LYS C C 13 173.058 0.043 . 1 . . . . . 43 LYS C . 50380 1 22 . 1 . 1 44 44 LYS CA C 13 54.520 0.018 . 1 . . . . . 43 LYS CA . 50380 1 23 . 1 . 1 44 44 LYS CB C 13 34.192 0.087 . 1 . . . . . 43 LYS CB . 50380 1 24 . 1 . 1 44 44 LYS N N 15 129.565 0.138 . 1 . . . . . 43 LYS N . 50380 1 25 . 1 . 1 45 45 GLY H H 1 7.476 0.026 . 1 . . . . . 44 GLY H . 50380 1 26 . 1 . 1 45 45 GLY C C 13 171.172 0.056 . 1 . . . . . 44 GLY C . 50380 1 27 . 1 . 1 45 45 GLY CA C 13 44.209 0.127 . 1 . . . . . 44 GLY CA . 50380 1 28 . 1 . 1 45 45 GLY N N 15 110.923 0.196 . 1 . . . . . 44 GLY N . 50380 1 29 . 1 . 1 46 46 VAL H H 1 8.593 0.012 . 1 . . . . . 45 VAL H . 50380 1 30 . 1 . 1 46 46 VAL C C 13 176.722 0.016 . 1 . . . . . 45 VAL C . 50380 1 31 . 1 . 1 46 46 VAL CA C 13 62.784 0.079 . 1 . . . . . 45 VAL CA . 50380 1 32 . 1 . 1 46 46 VAL CB C 13 31.085 0.014 . 1 . . . . . 45 VAL CB . 50380 1 33 . 1 . 1 46 46 VAL N N 15 121.570 0.092 . 1 . . . . . 45 VAL N . 50380 1 34 . 1 . 1 47 47 TRP H H 1 8.654 0.022 . 1 . . . . . 46 TRP H . 50380 1 35 . 1 . 1 47 47 TRP C C 13 174.425 0.000 . 1 . . . . . 46 TRP C . 50380 1 36 . 1 . 1 47 47 TRP CA C 13 56.603 0.139 . 1 . . . . . 46 TRP CA . 50380 1 37 . 1 . 1 47 47 TRP CB C 13 32.866 0.005 . 1 . . . . . 46 TRP CB . 50380 1 38 . 1 . 1 47 47 TRP N N 15 127.299 0.173 . 1 . . . . . 46 TRP N . 50380 1 39 . 1 . 1 48 48 ALA H H 1 9.728 0.008 . 1 . . . . . 47 ALA H . 50380 1 40 . 1 . 1 48 48 ALA C C 13 177.052 0.002 . 1 . . . . . 47 ALA C . 50380 1 41 . 1 . 1 48 48 ALA CA C 13 50.913 0.120 . 1 . . . . . 47 ALA CA . 50380 1 42 . 1 . 1 48 48 ALA CB C 13 20.969 0.115 . 1 . . . . . 47 ALA CB . 50380 1 43 . 1 . 1 48 48 ALA N N 15 124.831 0.161 . 1 . . . . . 47 ALA N . 50380 1 44 . 1 . 1 49 49 GLY H H 1 8.263 0.010 . 1 . . . . . 48 GLY H . 50380 1 45 . 1 . 1 49 49 GLY C C 13 171.895 0.007 . 1 . . . . . 48 GLY C . 50380 1 46 . 1 . 1 49 49 GLY CA C 13 43.755 0.075 . 1 . . . . . 48 GLY CA . 50380 1 47 . 1 . 1 49 49 GLY N N 15 108.670 0.111 . 1 . . . . . 48 GLY N . 50380 1 48 . 1 . 1 50 50 THR H H 1 7.888 0.012 . 1 . . . . . 49 THR H . 50380 1 49 . 1 . 1 50 50 THR C C 13 172.935 0.013 . 1 . . . . . 49 THR C . 50380 1 50 . 1 . 1 50 50 THR CA C 13 60.599 0.131 . 1 . . . . . 49 THR CA . 50380 1 51 . 1 . 1 50 50 THR CB C 13 71.763 0.000 . 1 . . . . . 49 THR CB . 50380 1 52 . 1 . 1 50 50 THR N N 15 112.059 0.119 . 1 . . . . . 49 THR N . 50380 1 53 . 1 . 1 51 51 GLY H H 1 8.319 0.015 . 1 . . . . . 50 GLY H . 50380 1 54 . 1 . 1 51 51 GLY C C 13 171.275 0.071 . 1 . . . . . 50 GLY C . 50380 1 55 . 1 . 1 51 51 GLY CA C 13 43.925 0.081 . 1 . . . . . 50 GLY CA . 50380 1 56 . 1 . 1 51 51 GLY N N 15 112.092 0.099 . 1 . . . . . 50 GLY N . 50380 1 57 . 1 . 1 52 52 ILE H H 1 8.295 0.013 . 1 . . . . . 51 ILE H . 50380 1 58 . 1 . 1 52 52 ILE C C 13 176.528 0.016 . 1 . . . . . 51 ILE C . 50380 1 59 . 1 . 1 52 52 ILE CA C 13 59.713 0.096 . 1 . . . . . 51 ILE CA . 50380 1 60 . 1 . 1 52 52 ILE CB C 13 37.855 0.034 . 1 . . . . . 51 ILE CB . 50380 1 61 . 1 . 1 52 52 ILE N N 15 118.788 0.100 . 1 . . . . . 51 ILE N . 50380 1 62 . 1 . 1 53 53 MET H H 1 9.016 0.013 . 1 . . . . . 52 MET H . 50380 1 63 . 1 . 1 53 53 MET C C 13 175.307 0.073 . 1 . . . . . 52 MET C . 50380 1 64 . 1 . 1 53 53 MET CA C 13 51.382 0.056 . 1 . . . . . 52 MET CA . 50380 1 65 . 1 . 1 53 53 MET CB C 13 34.307 0.089 . 1 . . . . . 52 MET CB . 50380 1 66 . 1 . 1 53 53 MET N N 15 126.767 0.093 . 1 . . . . . 52 MET N . 50380 1 67 . 1 . 1 54 54 THR H H 1 9.244 0.013 . 1 . . . . . 53 THR H . 50380 1 68 . 1 . 1 54 54 THR C C 13 173.004 0.033 . 1 . . . . . 53 THR C . 50380 1 69 . 1 . 1 54 54 THR CA C 13 59.844 0.039 . 1 . . . . . 53 THR CA . 50380 1 70 . 1 . 1 54 54 THR CB C 13 71.522 0.040 . 1 . . . . . 53 THR CB . 50380 1 71 . 1 . 1 54 54 THR N N 15 112.006 0.081 . 1 . . . . . 53 THR N . 50380 1 72 . 1 . 1 55 55 THR H H 1 8.852 0.012 . 1 . . . . . 54 THR H . 50380 1 73 . 1 . 1 55 55 THR C C 13 170.950 0.055 . 1 . . . . . 54 THR C . 50380 1 74 . 1 . 1 55 55 THR CA C 13 59.033 0.052 . 1 . . . . . 54 THR CA . 50380 1 75 . 1 . 1 55 55 THR CB C 13 68.459 0.000 . 1 . . . . . 54 THR CB . 50380 1 76 . 1 . 1 55 55 THR N N 15 114.716 0.079 . 1 . . . . . 54 THR N . 50380 1 77 . 1 . 1 56 56 ARG H H 1 7.602 0.024 . 1 . . . . . 55 ARG H . 50380 1 78 . 1 . 1 56 56 ARG C C 13 174.607 0.000 . 1 . . . . . 55 ARG C . 50380 1 79 . 1 . 1 56 56 ARG CA C 13 52.915 0.139 . 1 . . . . . 55 ARG CA . 50380 1 80 . 1 . 1 56 56 ARG CB C 13 33.278 0.000 . 1 . . . . . 55 ARG CB . 50380 1 81 . 1 . 1 56 56 ARG N N 15 122.027 0.224 . 1 . . . . . 55 ARG N . 50380 1 82 . 1 . 1 59 59 CYS H H 1 7.941 0.015 . 1 . . . . . 58 CYS H . 50380 1 83 . 1 . 1 59 59 CYS CA C 13 60.126 0.064 . 1 . . . . . 58 CYS CA . 50380 1 84 . 1 . 1 59 59 CYS CB C 13 30.652 0.000 . 1 . . . . . 58 CYS CB . 50380 1 85 . 1 . 1 59 59 CYS N N 15 118.666 0.070 . 1 . . . . . 58 CYS N . 50380 1 86 . 1 . 1 60 60 GLY H H 1 8.861 0.039 . 1 . . . . . 59 GLY H . 50380 1 87 . 1 . 1 60 60 GLY C C 13 173.770 0.000 . 1 . . . . . 59 GLY C . 50380 1 88 . 1 . 1 60 60 GLY CA C 13 44.205 0.053 . 1 . . . . . 59 GLY CA . 50380 1 89 . 1 . 1 60 60 GLY N N 15 111.143 0.102 . 1 . . . . . 59 GLY N . 50380 1 90 . 1 . 1 61 61 ALA H H 1 8.808 0.026 . 1 . . . . . 60 ALA H . 50380 1 91 . 1 . 1 61 61 ALA C C 13 176.123 0.023 . 1 . . . . . 60 ALA C . 50380 1 92 . 1 . 1 61 61 ALA CA C 13 53.147 0.056 . 1 . . . . . 60 ALA CA . 50380 1 93 . 1 . 1 61 61 ALA CB C 13 20.220 0.067 . 1 . . . . . 60 ALA CB . 50380 1 94 . 1 . 1 61 61 ALA N N 15 126.614 0.080 . 1 . . . . . 60 ALA N . 50380 1 95 . 1 . 1 62 62 ASN H H 1 8.519 0.014 . 1 . . . . . 61 ASN H . 50380 1 96 . 1 . 1 62 62 ASN C C 13 173.813 0.011 . 1 . . . . . 61 ASN C . 50380 1 97 . 1 . 1 62 62 ASN CA C 13 52.834 0.032 . 1 . . . . . 61 ASN CA . 50380 1 98 . 1 . 1 62 62 ASN CB C 13 38.488 0.000 . 1 . . . . . 61 ASN CB . 50380 1 99 . 1 . 1 62 62 ASN N N 15 119.913 0.146 . 1 . . . . . 61 ASN N . 50380 1 100 . 1 . 1 63 63 ILE H H 1 7.957 0.017 . 1 . . . . . 62 ILE H . 50380 1 101 . 1 . 1 63 63 ILE C C 13 174.552 0.099 . 1 . . . . . 62 ILE C . 50380 1 102 . 1 . 1 63 63 ILE CA C 13 58.134 0.056 . 1 . . . . . 62 ILE CA . 50380 1 103 . 1 . 1 63 63 ILE CB C 13 38.754 0.056 . 1 . . . . . 62 ILE CB . 50380 1 104 . 1 . 1 63 63 ILE N N 15 124.848 0.106 . 1 . . . . . 62 ILE N . 50380 1 105 . 1 . 1 64 64 SER H H 1 8.671 0.022 . 1 . . . . . 63 SER H . 50380 1 106 . 1 . 1 64 64 SER C C 13 172.315 0.008 . 1 . . . . . 63 SER C . 50380 1 107 . 1 . 1 64 64 SER CA C 13 55.864 0.078 . 1 . . . . . 63 SER CA . 50380 1 108 . 1 . 1 64 64 SER CB C 13 65.269 0.000 . 1 . . . . . 63 SER CB . 50380 1 109 . 1 . 1 64 64 SER N N 15 120.808 0.077 . 1 . . . . . 63 SER N . 50380 1 110 . 1 . 1 65 65 GLY H H 1 9.537 0.010 . 1 . . . . . 64 GLY H . 50380 1 111 . 1 . 1 65 65 GLY C C 13 170.955 0.050 . 1 . . . . . 64 GLY C . 50380 1 112 . 1 . 1 65 65 GLY CA C 13 44.181 0.079 . 1 . . . . . 64 GLY CA . 50380 1 113 . 1 . 1 65 65 GLY N N 15 109.497 0.104 . 1 . . . . . 64 GLY N . 50380 1 114 . 1 . 1 66 66 ASN H H 1 8.330 0.009 . 1 . . . . . 65 ASN H . 50380 1 115 . 1 . 1 66 66 ASN C C 13 174.277 0.044 . 1 . . . . . 65 ASN C . 50380 1 116 . 1 . 1 66 66 ASN CA C 13 51.938 0.017 . 1 . . . . . 65 ASN CA . 50380 1 117 . 1 . 1 66 66 ASN CB C 13 39.925 0.032 . 1 . . . . . 65 ASN CB . 50380 1 118 . 1 . 1 66 66 ASN N N 15 121.848 0.163 . 1 . . . . . 65 ASN N . 50380 1 119 . 1 . 1 67 67 VAL H H 1 9.118 0.017 . 1 . . . . . 66 VAL H . 50380 1 120 . 1 . 1 67 67 VAL C C 13 175.493 0.024 . 1 . . . . . 66 VAL C . 50380 1 121 . 1 . 1 67 67 VAL CA C 13 61.235 0.051 . 1 . . . . . 66 VAL CA . 50380 1 122 . 1 . 1 67 67 VAL CB C 13 30.965 0.000 . 1 . . . . . 66 VAL CB . 50380 1 123 . 1 . 1 67 67 VAL N N 15 128.423 0.113 . 1 . . . . . 66 VAL N . 50380 1 124 . 1 . 1 68 68 ARG H H 1 8.635 0.013 . 1 . . . . . 67 ARG H . 50380 1 125 . 1 . 1 68 68 ARG C C 13 174.801 0.000 . 1 . . . . . 67 ARG C . 50380 1 126 . 1 . 1 68 68 ARG CA C 13 55.425 0.073 . 1 . . . . . 67 ARG CA . 50380 1 127 . 1 . 1 68 68 ARG CB C 13 31.929 0.000 . 1 . . . . . 67 ARG CB . 50380 1 128 . 1 . 1 68 68 ARG N N 15 126.803 0.113 . 1 . . . . . 67 ARG N . 50380 1 129 . 1 . 1 70 70 GLY H H 1 8.839 0.015 . 1 . . . . . 69 GLY H . 50380 1 130 . 1 . 1 70 70 GLY C C 13 173.784 0.004 . 1 . . . . . 69 GLY C . 50380 1 131 . 1 . 1 70 70 GLY CA C 13 45.449 0.075 . 1 . . . . . 69 GLY CA . 50380 1 132 . 1 . 1 70 70 GLY N N 15 105.342 0.096 . 1 . . . . . 69 GLY N . 50380 1 133 . 1 . 1 71 71 SER H H 1 7.932 0.012 . 1 . . . . . 70 SER H . 50380 1 134 . 1 . 1 71 71 SER C C 13 171.908 0.002 . 1 . . . . . 70 SER C . 50380 1 135 . 1 . 1 71 71 SER CA C 13 56.130 0.157 . 1 . . . . . 70 SER CA . 50380 1 136 . 1 . 1 71 71 SER CB C 13 64.986 0.023 . 1 . . . . . 70 SER CB . 50380 1 137 . 1 . 1 71 71 SER N N 15 114.936 0.103 . 1 . . . . . 70 SER N . 50380 1 138 . 1 . 1 72 72 MET H H 1 9.154 0.010 . 1 . . . . . 71 MET H . 50380 1 139 . 1 . 1 72 72 MET C C 13 175.005 0.000 . 1 . . . . . 71 MET C . 50380 1 140 . 1 . 1 72 72 MET CA C 13 53.705 0.059 . 1 . . . . . 71 MET CA . 50380 1 141 . 1 . 1 72 72 MET CB C 13 35.852 0.025 . 1 . . . . . 71 MET CB . 50380 1 142 . 1 . 1 72 72 MET N N 15 124.336 0.094 . 1 . . . . . 71 MET N . 50380 1 143 . 1 . 1 73 73 ARG H H 1 8.250 0.012 . 1 . . . . . 72 ARG H . 50380 1 144 . 1 . 1 73 73 ARG C C 13 176.240 0.000 . 1 . . . . . 72 ARG C . 50380 1 145 . 1 . 1 73 73 ARG CA C 13 54.314 0.104 . 1 . . . . . 72 ARG CA . 50380 1 146 . 1 . 1 73 73 ARG CB C 13 30.567 0.000 . 1 . . . . . 72 ARG CB . 50380 1 147 . 1 . 1 73 73 ARG N N 15 128.828 0.071 . 1 . . . . . 72 ARG N . 50380 1 148 . 1 . 1 75 75 THR H H 1 9.219 0.011 . 1 . . . . . 74 THR H . 50380 1 149 . 1 . 1 75 75 THR C C 13 172.130 0.050 . 1 . . . . . 74 THR C . 50380 1 150 . 1 . 1 75 75 THR CA C 13 61.334 0.102 . 1 . . . . . 74 THR CA . 50380 1 151 . 1 . 1 75 75 THR N N 15 120.619 0.189 . 1 . . . . . 74 THR N . 50380 1 152 . 1 . 1 76 76 GLY H H 1 8.028 0.017 . 1 . . . . . 75 GLY H . 50380 1 153 . 1 . 1 76 76 GLY CA C 13 44.994 0.058 . 1 . . . . . 75 GLY CA . 50380 1 154 . 1 . 1 76 76 GLY N N 15 110.441 0.072 . 1 . . . . . 75 GLY N . 50380 1 155 . 1 . 1 82 82 ASN H H 1 9.942 0.012 . 1 . . . . . 81 ASN H . 50380 1 156 . 1 . 1 82 82 ASN C C 13 176.807 0.013 . 1 . . . . . 81 ASN C . 50380 1 157 . 1 . 1 82 82 ASN CA C 13 57.579 0.063 . 1 . . . . . 81 ASN CA . 50380 1 158 . 1 . 1 82 82 ASN CB C 13 36.231 0.014 . 1 . . . . . 81 ASN CB . 50380 1 159 . 1 . 1 82 82 ASN N N 15 119.206 0.112 . 1 . . . . . 81 ASN N . 50380 1 160 . 1 . 1 83 83 THR H H 1 7.255 0.018 . 1 . . . . . 82 THR H . 50380 1 161 . 1 . 1 83 83 THR CA C 13 65.227 0.072 . 1 . . . . . 82 THR CA . 50380 1 162 . 1 . 1 83 83 THR CB C 13 67.351 0.000 . 1 . . . . . 82 THR CB . 50380 1 163 . 1 . 1 83 83 THR N N 15 115.824 0.142 . 1 . . . . . 82 THR N . 50380 1 164 . 1 . 1 86 86 GLY H H 1 8.050 0.016 . 1 . . . . . 85 GLY H . 50380 1 165 . 1 . 1 86 86 GLY C C 13 174.233 0.000 . 1 . . . . . 85 GLY C . 50380 1 166 . 1 . 1 86 86 GLY CA C 13 46.784 0.073 . 1 . . . . . 85 GLY CA . 50380 1 167 . 1 . 1 86 86 GLY N N 15 110.340 0.079 . 1 . . . . . 85 GLY N . 50380 1 168 . 1 . 1 87 87 THR H H 1 8.686 0.027 . 1 . . . . . 86 THR H . 50380 1 169 . 1 . 1 87 87 THR C C 13 171.427 0.047 . 1 . . . . . 86 THR C . 50380 1 170 . 1 . 1 87 87 THR CA C 13 59.399 0.046 . 1 . . . . . 86 THR CA . 50380 1 171 . 1 . 1 87 87 THR CB C 13 70.713 0.011 . 1 . . . . . 86 THR CB . 50380 1 172 . 1 . 1 87 87 THR N N 15 110.514 0.136 . 1 . . . . . 86 THR N . 50380 1 173 . 1 . 1 88 88 PHE H H 1 8.441 0.010 . 1 . . . . . 87 PHE H . 50380 1 174 . 1 . 1 88 88 PHE CA C 13 54.182 0.094 . 1 . . . . . 87 PHE CA . 50380 1 175 . 1 . 1 88 88 PHE CB C 13 43.044 0.000 . 1 . . . . . 87 PHE CB . 50380 1 176 . 1 . 1 88 88 PHE N N 15 117.855 0.073 . 1 . . . . . 87 PHE N . 50380 1 177 . 1 . 1 90 90 ILE H H 1 8.992 0.020 . 1 . . . . . 89 ILE H . 50380 1 178 . 1 . 1 90 90 ILE C C 13 174.077 0.038 . 1 . . . . . 89 ILE C . 50380 1 179 . 1 . 1 90 90 ILE CA C 13 60.557 0.088 . 1 . . . . . 89 ILE CA . 50380 1 180 . 1 . 1 90 90 ILE CB C 13 36.491 0.018 . 1 . . . . . 89 ILE CB . 50380 1 181 . 1 . 1 90 90 ILE N N 15 129.481 0.171 . 1 . . . . . 89 ILE N . 50380 1 182 . 1 . 1 91 91 ASN H H 1 8.968 0.007 . 1 . . . . . 90 ASN H . 50380 1 183 . 1 . 1 91 91 ASN C C 13 175.616 0.040 . 1 . . . . . 90 ASN C . 50380 1 184 . 1 . 1 91 91 ASN CA C 13 53.559 0.048 . 1 . . . . . 90 ASN CA . 50380 1 185 . 1 . 1 91 91 ASN CB C 13 38.444 0.044 . 1 . . . . . 90 ASN CB . 50380 1 186 . 1 . 1 91 91 ASN N N 15 121.440 0.060 . 1 . . . . . 90 ASN N . 50380 1 187 . 1 . 1 92 92 CYS H H 1 8.279 0.027 . 1 . . . . . 91 CYS H . 50380 1 188 . 1 . 1 92 92 CYS C C 13 175.009 0.019 . 1 . . . . . 91 CYS C . 50380 1 189 . 1 . 1 92 92 CYS CA C 13 59.603 0.189 . 1 . . . . . 91 CYS CA . 50380 1 190 . 1 . 1 92 92 CYS CB C 13 26.891 0.000 . 1 . . . . . 91 CYS CB . 50380 1 191 . 1 . 1 92 92 CYS N N 15 113.648 0.133 . 1 . . . . . 91 CYS N . 50380 1 192 . 1 . 1 93 93 TYR H H 1 9.528 0.010 . 1 . . . . . 92 TYR H . 50380 1 193 . 1 . 1 93 93 TYR C C 13 175.848 0.014 . 1 . . . . . 92 TYR C . 50380 1 194 . 1 . 1 93 93 TYR CA C 13 58.151 0.115 . 1 . . . . . 92 TYR CA . 50380 1 195 . 1 . 1 93 93 TYR CB C 13 37.274 0.000 . 1 . . . . . 92 TYR CB . 50380 1 196 . 1 . 1 93 93 TYR N N 15 122.317 0.132 . 1 . . . . . 92 TYR N . 50380 1 197 . 1 . 1 94 94 THR H H 1 8.224 0.029 . 1 . . . . . 93 THR H . 50380 1 198 . 1 . 1 94 94 THR C C 13 173.247 0.055 . 1 . . . . . 93 THR C . 50380 1 199 . 1 . 1 94 94 THR CA C 13 63.821 0.050 . 1 . . . . . 93 THR CA . 50380 1 200 . 1 . 1 94 94 THR CB C 13 68.625 0.000 . 1 . . . . . 93 THR CB . 50380 1 201 . 1 . 1 94 94 THR N N 15 120.065 0.105 . 1 . . . . . 93 THR N . 50380 1 202 . 1 . 1 95 95 GLU H H 1 9.668 0.020 . 1 . . . . . 94 GLU H . 50380 1 203 . 1 . 1 95 95 GLU C C 13 173.984 0.010 . 1 . . . . . 94 GLU C . 50380 1 204 . 1 . 1 95 95 GLU CA C 13 55.566 0.071 . 1 . . . . . 94 GLU CA . 50380 1 205 . 1 . 1 95 95 GLU CB C 13 33.495 0.062 . 1 . . . . . 94 GLU CB . 50380 1 206 . 1 . 1 95 95 GLU N N 15 127.460 0.126 . 1 . . . . . 94 GLU N . 50380 1 207 . 1 . 1 96 96 GLY H H 1 8.660 0.018 . 1 . . . . . 95 GLY H . 50380 1 208 . 1 . 1 96 96 GLY C C 13 175.577 0.024 . 1 . . . . . 95 GLY C . 50380 1 209 . 1 . 1 96 96 GLY CA C 13 44.482 0.057 . 1 . . . . . 95 GLY CA . 50380 1 210 . 1 . 1 96 96 GLY N N 15 108.940 0.091 . 1 . . . . . 95 GLY N . 50380 1 211 . 1 . 1 97 97 GLN H H 1 9.187 0.025 . 1 . . . . . 96 GLN H . 50380 1 212 . 1 . 1 97 97 GLN C C 13 176.366 0.027 . 1 . . . . . 96 GLN C . 50380 1 213 . 1 . 1 97 97 GLN CA C 13 56.040 0.106 . 1 . . . . . 96 GLN CA . 50380 1 214 . 1 . 1 97 97 GLN CB C 13 29.583 0.014 . 1 . . . . . 96 GLN CB . 50380 1 215 . 1 . 1 97 97 GLN N N 15 117.275 0.156 . 1 . . . . . 96 GLN N . 50380 1 216 . 1 . 1 98 98 CYS H H 1 7.700 0.015 . 1 . . . . . 97 CYS H . 50380 1 217 . 1 . 1 98 98 CYS C C 13 172.517 0.005 . 1 . . . . . 97 CYS C . 50380 1 218 . 1 . 1 98 98 CYS CA C 13 58.714 0.046 . 1 . . . . . 97 CYS CA . 50380 1 219 . 1 . 1 98 98 CYS CB C 13 28.869 0.000 . 1 . . . . . 97 CYS CB . 50380 1 220 . 1 . 1 98 98 CYS N N 15 119.002 0.141 . 1 . . . . . 97 CYS N . 50380 1 221 . 1 . 1 99 99 ALA H H 1 8.629 0.012 . 1 . . . . . 98 ALA H . 50380 1 222 . 1 . 1 99 99 ALA CA C 13 49.385 0.043 . 1 . . . . . 98 ALA CA . 50380 1 223 . 1 . 1 99 99 ALA CB C 13 21.357 0.000 . 1 . . . . . 98 ALA CB . 50380 1 224 . 1 . 1 99 99 ALA N N 15 122.671 0.092 . 1 . . . . . 98 ALA N . 50380 1 225 . 1 . 1 108 108 THR H H 1 8.504 0.014 . 1 . . . . . 107 THR H . 50380 1 226 . 1 . 1 108 108 THR C C 13 172.509 0.068 . 1 . . . . . 107 THR C . 50380 1 227 . 1 . 1 108 108 THR CA C 13 59.349 0.023 . 1 . . . . . 107 THR CA . 50380 1 228 . 1 . 1 108 108 THR CB C 13 72.615 0.000 . 1 . . . . . 107 THR CB . 50380 1 229 . 1 . 1 108 108 THR N N 15 109.846 0.135 . 1 . . . . . 107 THR N . 50380 1 230 . 1 . 1 109 109 ALA H H 1 9.329 0.015 . 1 . . . . . 108 ALA H . 50380 1 231 . 1 . 1 109 109 ALA C C 13 174.472 0.001 . 1 . . . . . 108 ALA C . 50380 1 232 . 1 . 1 109 109 ALA CA C 13 50.838 0.069 . 1 . . . . . 108 ALA CA . 50380 1 233 . 1 . 1 109 109 ALA CB C 13 21.349 0.041 . 1 . . . . . 108 ALA CB . 50380 1 234 . 1 . 1 109 109 ALA N N 15 126.008 0.111 . 1 . . . . . 108 ALA N . 50380 1 235 . 1 . 1 110 110 ILE H H 1 8.629 0.022 . 1 . . . . . 109 ILE H . 50380 1 236 . 1 . 1 110 110 ILE C C 13 173.903 0.031 . 1 . . . . . 109 ILE C . 50380 1 237 . 1 . 1 110 110 ILE CA C 13 60.711 0.212 . 1 . . . . . 109 ILE CA . 50380 1 238 . 1 . 1 110 110 ILE CB C 13 38.037 0.049 . 1 . . . . . 109 ILE CB . 50380 1 239 . 1 . 1 110 110 ILE N N 15 119.077 0.128 . 1 . . . . . 109 ILE N . 50380 1 240 . 1 . 1 111 111 TRP H H 1 10.033 0.012 . 1 . . . . . 110 TRP H . 50380 1 241 . 1 . 1 111 111 TRP C C 13 173.523 0.086 . 1 . . . . . 110 TRP C . 50380 1 242 . 1 . 1 111 111 TRP CA C 13 53.580 0.051 . 1 . . . . . 110 TRP CA . 50380 1 243 . 1 . 1 111 111 TRP CB C 13 32.801 0.010 . 1 . . . . . 110 TRP CB . 50380 1 244 . 1 . 1 111 111 TRP N N 15 132.253 0.000 . 1 . . . . . 110 TRP N . 50380 1 245 . 1 . 1 112 112 ARG H H 1 10.558 0.051 . 1 . . . . . 111 ARG H . 50380 1 246 . 1 . 1 112 112 ARG C C 13 174.890 0.118 . 1 . . . . . 111 ARG C . 50380 1 247 . 1 . 1 112 112 ARG CA C 13 56.340 0.129 . 1 . . . . . 111 ARG CA . 50380 1 248 . 1 . 1 112 112 ARG CB C 13 30.105 0.000 . 1 . . . . . 111 ARG CB . 50380 1 249 . 1 . 1 112 112 ARG N N 15 132.806 0.175 . 1 . . . . . 111 ARG N . 50380 1 250 . 1 . 1 113 113 VAL H H 1 7.831 0.008 . 1 . . . . . 112 VAL H . 50380 1 251 . 1 . 1 113 113 VAL C C 13 174.269 0.000 . 1 . . . . . 112 VAL C . 50380 1 252 . 1 . 1 113 113 VAL CA C 13 60.281 0.066 . 1 . . . . . 112 VAL CA . 50380 1 253 . 1 . 1 113 113 VAL CB C 13 30.368 0.000 . 1 . . . . . 112 VAL CB . 50380 1 254 . 1 . 1 113 113 VAL N N 15 119.773 0.213 . 1 . . . . . 112 VAL N . 50380 1 255 . 1 . 1 116 116 SER H H 1 8.579 0.023 . 1 . . . . . 115 SER H . 50380 1 256 . 1 . 1 116 116 SER C C 13 173.536 0.096 . 1 . . . . . 115 SER C . 50380 1 257 . 1 . 1 116 116 SER CA C 13 55.720 0.121 . 1 . . . . . 115 SER CA . 50380 1 258 . 1 . 1 116 116 SER CB C 13 63.317 0.000 . 1 . . . . . 115 SER CB . 50380 1 259 . 1 . 1 116 116 SER N N 15 108.124 0.119 . 1 . . . . . 115 SER N . 50380 1 260 . 1 . 1 117 117 GLU H H 1 6.596 0.025 . 1 . . . . . 116 GLU H . 50380 1 261 . 1 . 1 117 117 GLU C C 13 174.055 0.000 . 1 . . . . . 116 GLU C . 50380 1 262 . 1 . 1 117 117 GLU CA C 13 53.867 0.000 . 1 . . . . . 116 GLU CA . 50380 1 263 . 1 . 1 117 117 GLU N N 15 114.029 0.050 . 1 . . . . . 116 GLU N . 50380 1 264 . 1 . 1 118 118 TYR H H 1 9.299 0.014 . 1 . . . . . 117 TYR H . 50380 1 265 . 1 . 1 118 118 TYR C C 13 173.089 0.000 . 1 . . . . . 117 TYR C . 50380 1 266 . 1 . 1 118 118 TYR CA C 13 56.824 0.067 . 1 . . . . . 117 TYR CA . 50380 1 267 . 1 . 1 118 118 TYR CB C 13 44.467 0.072 . 1 . . . . . 117 TYR CB . 50380 1 268 . 1 . 1 118 118 TYR N N 15 116.193 0.080 . 1 . . . . . 117 TYR N . 50380 1 269 . 1 . 1 119 119 ALA H H 1 9.614 0.019 . 1 . . . . . 118 ALA H . 50380 1 270 . 1 . 1 119 119 ALA C C 13 174.622 0.062 . 1 . . . . . 118 ALA C . 50380 1 271 . 1 . 1 119 119 ALA CA C 13 49.463 0.059 . 1 . . . . . 118 ALA CA . 50380 1 272 . 1 . 1 119 119 ALA CB C 13 21.906 0.175 . 1 . . . . . 118 ALA CB . 50380 1 273 . 1 . 1 119 119 ALA N N 15 120.714 0.094 . 1 . . . . . 118 ALA N . 50380 1 274 . 1 . 1 120 120 GLU H H 1 8.835 0.010 . 1 . . . . . 119 GLU H . 50380 1 275 . 1 . 1 120 120 GLU C C 13 173.944 0.027 . 1 . . . . . 119 GLU C . 50380 1 276 . 1 . 1 120 120 GLU CA C 13 54.217 0.010 . 1 . . . . . 119 GLU CA . 50380 1 277 . 1 . 1 120 120 GLU CB C 13 31.237 0.008 . 1 . . . . . 119 GLU CB . 50380 1 278 . 1 . 1 120 120 GLU N N 15 124.438 0.140 . 1 . . . . . 119 GLU N . 50380 1 279 . 1 . 1 121 121 VAL H H 1 9.117 0.019 . 1 . . . . . 120 VAL H . 50380 1 280 . 1 . 1 121 121 VAL C C 13 174.869 0.100 . 1 . . . . . 120 VAL C . 50380 1 281 . 1 . 1 121 121 VAL CA C 13 59.601 0.083 . 1 . . . . . 120 VAL CA . 50380 1 282 . 1 . 1 121 121 VAL CB C 13 33.802 0.057 . 1 . . . . . 120 VAL CB . 50380 1 283 . 1 . 1 121 121 VAL N N 15 126.842 0.065 . 1 . . . . . 120 VAL N . 50380 1 284 . 1 . 1 122 122 THR H H 1 9.171 0.014 . 1 . . . . . 121 THR H . 50380 1 285 . 1 . 1 122 122 THR C C 13 172.304 0.000 . 1 . . . . . 121 THR C . 50380 1 286 . 1 . 1 122 122 THR CA C 13 60.962 0.038 . 1 . . . . . 121 THR CA . 50380 1 287 . 1 . 1 122 122 THR CB C 13 69.920 0.000 . 1 . . . . . 121 THR CB . 50380 1 288 . 1 . 1 122 122 THR N N 15 121.640 0.102 . 1 . . . . . 121 THR N . 50380 1 289 . 1 . 1 127 127 TYR H H 1 8.265 0.028 . 1 . . . . . 126 TYR H . 50380 1 290 . 1 . 1 127 127 TYR C C 13 173.863 0.071 . 1 . . . . . 126 TYR C . 50380 1 291 . 1 . 1 127 127 TYR CA C 13 57.730 0.049 . 1 . . . . . 126 TYR CA . 50380 1 292 . 1 . 1 127 127 TYR CB C 13 41.536 0.056 . 1 . . . . . 126 TYR CB . 50380 1 293 . 1 . 1 127 127 TYR N N 15 122.620 0.110 . 1 . . . . . 126 TYR N . 50380 1 294 . 1 . 1 128 128 SER H H 1 8.250 0.019 . 1 . . . . . 127 SER H . 50380 1 295 . 1 . 1 128 128 SER CA C 13 56.970 0.024 . 1 . . . . . 127 SER CA . 50380 1 296 . 1 . 1 128 128 SER CB C 13 64.229 0.000 . 1 . . . . . 127 SER CB . 50380 1 297 . 1 . 1 128 128 SER N N 15 115.368 0.083 . 1 . . . . . 127 SER N . 50380 1 298 . 1 . 1 130 130 VAL H H 1 8.346 0.028 . 1 . . . . . 129 VAL H . 50380 1 299 . 1 . 1 130 130 VAL C C 13 175.919 0.044 . 1 . . . . . 129 VAL C . 50380 1 300 . 1 . 1 130 130 VAL CA C 13 61.803 0.062 . 1 . . . . . 129 VAL CA . 50380 1 301 . 1 . 1 130 130 VAL CB C 13 29.314 0.009 . 1 . . . . . 129 VAL CB . 50380 1 302 . 1 . 1 130 130 VAL N N 15 123.768 0.130 . 1 . . . . . 129 VAL N . 50380 1 303 . 1 . 1 131 131 THR H H 1 8.742 0.020 . 1 . . . . . 130 THR H . 50380 1 304 . 1 . 1 131 131 THR C C 13 174.597 0.030 . 1 . . . . . 130 THR C . 50380 1 305 . 1 . 1 131 131 THR CA C 13 61.971 0.058 . 1 . . . . . 130 THR CA . 50380 1 306 . 1 . 1 131 131 THR CB C 13 68.683 0.000 . 1 . . . . . 130 THR CB . 50380 1 307 . 1 . 1 131 131 THR N N 15 116.254 0.117 . 1 . . . . . 130 THR N . 50380 1 308 . 1 . 1 132 132 GLY H H 1 7.606 0.016 . 1 . . . . . 131 GLY H . 50380 1 309 . 1 . 1 132 132 GLY C C 13 171.086 0.030 . 1 . . . . . 131 GLY C . 50380 1 310 . 1 . 1 132 132 GLY CA C 13 45.256 0.078 . 1 . . . . . 131 GLY CA . 50380 1 311 . 1 . 1 132 132 GLY N N 15 107.899 0.081 . 1 . . . . . 131 GLY N . 50380 1 312 . 1 . 1 133 133 LEU H H 1 8.920 0.009 . 1 . . . . . 132 LEU H . 50380 1 313 . 1 . 1 133 133 LEU C C 13 177.964 0.016 . 1 . . . . . 132 LEU C . 50380 1 314 . 1 . 1 133 133 LEU CA C 13 53.626 0.079 . 1 . . . . . 132 LEU CA . 50380 1 315 . 1 . 1 133 133 LEU CB C 13 47.142 0.025 . 1 . . . . . 132 LEU CB . 50380 1 316 . 1 . 1 133 133 LEU N N 15 121.807 0.078 . 1 . . . . . 132 LEU N . 50380 1 317 . 1 . 1 134 134 THR H H 1 8.885 0.015 . 1 . . . . . 133 THR H . 50380 1 318 . 1 . 1 134 134 THR C C 13 173.885 0.029 . 1 . . . . . 133 THR C . 50380 1 319 . 1 . 1 134 134 THR CA C 13 63.966 0.094 . 1 . . . . . 133 THR CA . 50380 1 320 . 1 . 1 134 134 THR CB C 13 69.141 0.000 . 1 . . . . . 133 THR CB . 50380 1 321 . 1 . 1 134 134 THR N N 15 112.039 0.100 . 1 . . . . . 133 THR N . 50380 1 322 . 1 . 1 135 135 THR H H 1 7.362 0.012 . 1 . . . . . 134 THR H . 50380 1 323 . 1 . 1 135 135 THR C C 13 170.644 0.042 . 1 . . . . . 134 THR C . 50380 1 324 . 1 . 1 135 135 THR CA C 13 60.522 0.070 . 1 . . . . . 134 THR CA . 50380 1 325 . 1 . 1 135 135 THR CB C 13 70.220 0.093 . 1 . . . . . 134 THR CB . 50380 1 326 . 1 . 1 135 135 THR N N 15 113.247 0.075 . 1 . . . . . 134 THR N . 50380 1 327 . 1 . 1 136 136 ASP H H 1 8.143 0.023 . 1 . . . . . 135 ASP H . 50380 1 328 . 1 . 1 136 136 ASP C C 13 175.763 0.012 . 1 . . . . . 135 ASP C . 50380 1 329 . 1 . 1 136 136 ASP CA C 13 54.247 0.084 . 1 . . . . . 135 ASP CA . 50380 1 330 . 1 . 1 136 136 ASP CB C 13 41.199 0.000 . 1 . . . . . 135 ASP CB . 50380 1 331 . 1 . 1 136 136 ASP N N 15 121.709 0.183 . 1 . . . . . 135 ASP N . 50380 1 332 . 1 . 1 137 137 ASN H H 1 9.244 0.010 . 1 . . . . . 136 ASN H . 50380 1 333 . 1 . 1 137 137 ASN CA C 13 54.220 0.031 . 1 . . . . . 136 ASN CA . 50380 1 334 . 1 . 1 137 137 ASN CB C 13 36.525 0.042 . 1 . . . . . 136 ASN CB . 50380 1 335 . 1 . 1 137 137 ASN N N 15 120.997 0.119 . 1 . . . . . 136 ASN N . 50380 1 336 . 1 . 1 138 138 LEU H H 1 7.212 0.046 . 1 . . . . . 137 LEU H . 50380 1 337 . 1 . 1 138 138 LEU C C 13 175.324 0.000 . 1 . . . . . 137 LEU C . 50380 1 338 . 1 . 1 138 138 LEU CA C 13 54.953 0.072 . 1 . . . . . 137 LEU CA . 50380 1 339 . 1 . 1 138 138 LEU CB C 13 42.143 0.000 . 1 . . . . . 137 LEU CB . 50380 1 340 . 1 . 1 138 138 LEU N N 15 118.922 0.129 . 1 . . . . . 137 LEU N . 50380 1 341 . 1 . 1 139 139 LYS H H 1 8.343 0.005 . 1 . . . . . 138 LYS H . 50380 1 342 . 1 . 1 139 139 LYS CA C 13 55.682 0.005 . 1 . . . . . 138 LYS CA . 50380 1 343 . 1 . 1 139 139 LYS CB C 13 31.451 0.000 . 1 . . . . . 138 LYS CB . 50380 1 344 . 1 . 1 139 139 LYS N N 15 127.021 0.103 . 1 . . . . . 138 LYS N . 50380 1 345 . 1 . 1 146 146 SER H H 1 7.927 0.029 . 1 . . . . . 145 SER H . 50380 1 346 . 1 . 1 146 146 SER CA C 13 57.088 0.101 . 1 . . . . . 145 SER CA . 50380 1 347 . 1 . 1 146 146 SER CB C 13 62.081 0.000 . 1 . . . . . 145 SER CB . 50380 1 348 . 1 . 1 146 146 SER N N 15 112.831 0.079 . 1 . . . . . 145 SER N . 50380 1 349 . 1 . 1 150 150 PHE H H 1 7.650 0.028 . 1 . . . . . 149 PHE H . 50380 1 350 . 1 . 1 150 150 PHE C C 13 172.575 0.017 . 1 . . . . . 149 PHE C . 50380 1 351 . 1 . 1 150 150 PHE CA C 13 56.358 0.027 . 1 . . . . . 149 PHE CA . 50380 1 352 . 1 . 1 150 150 PHE CB C 13 37.735 0.067 . 1 . . . . . 149 PHE CB . 50380 1 353 . 1 . 1 150 150 PHE N N 15 123.264 0.171 . 1 . . . . . 149 PHE N . 50380 1 354 . 1 . 1 151 151 SER H H 1 8.607 0.019 . 1 . . . . . 150 SER H . 50380 1 355 . 1 . 1 151 151 SER C C 13 174.268 0.000 . 1 . . . . . 150 SER C . 50380 1 356 . 1 . 1 151 151 SER CA C 13 60.741 0.073 . 1 . . . . . 150 SER CA . 50380 1 357 . 1 . 1 151 151 SER CB C 13 64.957 0.063 . 1 . . . . . 150 SER CB . 50380 1 358 . 1 . 1 151 151 SER N N 15 114.527 0.130 . 1 . . . . . 150 SER N . 50380 1 359 . 1 . 1 152 152 TRP H H 1 7.962 0.010 . 1 . . . . . 151 TRP H . 50380 1 360 . 1 . 1 152 152 TRP C C 13 175.280 0.080 . 1 . . . . . 151 TRP C . 50380 1 361 . 1 . 1 152 152 TRP CA C 13 58.434 0.101 . 1 . . . . . 151 TRP CA . 50380 1 362 . 1 . 1 152 152 TRP CB C 13 34.932 0.000 . 1 . . . . . 151 TRP CB . 50380 1 363 . 1 . 1 152 152 TRP N N 15 119.382 0.216 . 1 . . . . . 151 TRP N . 50380 1 364 . 1 . 1 153 153 VAL H H 1 8.866 0.018 . 1 . . . . . 152 VAL H . 50380 1 365 . 1 . 1 153 153 VAL C C 13 175.675 0.121 . 1 . . . . . 152 VAL C . 50380 1 366 . 1 . 1 153 153 VAL CA C 13 62.119 0.068 . 1 . . . . . 152 VAL CA . 50380 1 367 . 1 . 1 153 153 VAL CB C 13 34.140 0.102 . 1 . . . . . 152 VAL CB . 50380 1 368 . 1 . 1 153 153 VAL N N 15 118.858 0.112 . 1 . . . . . 152 VAL N . 50380 1 369 . 1 . 1 154 154 ASP H H 1 10.130 0.000 . 1 . . . . . 153 ASP H . 50380 1 370 . 1 . 1 154 154 ASP C C 13 175.760 0.000 . 1 . . . . . 153 ASP C . 50380 1 371 . 1 . 1 154 154 ASP CA C 13 56.098 0.031 . 1 . . . . . 153 ASP CA . 50380 1 372 . 1 . 1 154 154 ASP CB C 13 39.079 0.000 . 1 . . . . . 153 ASP CB . 50380 1 373 . 1 . 1 154 154 ASP N N 15 130.527 0.000 . 1 . . . . . 153 ASP N . 50380 1 374 . 1 . 1 155 155 GLY H H 1 9.265 0.022 . 1 . . . . . 154 GLY H . 50380 1 375 . 1 . 1 155 155 GLY C C 13 173.354 0.096 . 1 . . . . . 154 GLY C . 50380 1 376 . 1 . 1 155 155 GLY CA C 13 44.985 0.105 . 1 . . . . . 154 GLY CA . 50380 1 377 . 1 . 1 155 155 GLY N N 15 103.023 0.122 . 1 . . . . . 154 GLY N . 50380 1 378 . 1 . 1 156 156 VAL H H 1 8.061 0.014 . 1 . . . . . 155 VAL H . 50380 1 379 . 1 . 1 156 156 VAL C C 13 174.301 0.000 . 1 . . . . . 155 VAL C . 50380 1 380 . 1 . 1 156 156 VAL CA C 13 61.077 0.089 . 1 . . . . . 155 VAL CA . 50380 1 381 . 1 . 1 156 156 VAL CB C 13 32.737 0.000 . 1 . . . . . 155 VAL CB . 50380 1 382 . 1 . 1 156 156 VAL N N 15 122.475 0.181 . 1 . . . . . 155 VAL N . 50380 1 383 . 1 . 1 168 168 PHE H H 1 8.117 0.015 . 1 . . . . . 167 PHE H . 50380 1 384 . 1 . 1 168 168 PHE C C 13 176.488 0.049 . 1 . . . . . 167 PHE C . 50380 1 385 . 1 . 1 168 168 PHE CA C 13 58.727 0.050 . 1 . . . . . 167 PHE CA . 50380 1 386 . 1 . 1 168 168 PHE CB C 13 38.877 0.011 . 1 . . . . . 167 PHE CB . 50380 1 387 . 1 . 1 168 168 PHE N N 15 117.664 0.148 . 1 . . . . . 167 PHE N . 50380 1 388 . 1 . 1 169 169 PHE H H 1 9.280 0.009 . 1 . . . . . 168 PHE H . 50380 1 389 . 1 . 1 169 169 PHE C C 13 176.535 0.000 . 1 . . . . . 168 PHE C . 50380 1 390 . 1 . 1 169 169 PHE CA C 13 58.026 0.037 . 1 . . . . . 168 PHE CA . 50380 1 391 . 1 . 1 169 169 PHE CB C 13 40.227 0.000 . 1 . . . . . 168 PHE CB . 50380 1 392 . 1 . 1 169 169 PHE N N 15 121.196 0.074 . 1 . . . . . 168 PHE N . 50380 1 393 . 1 . 1 170 170 ARG H H 1 9.143 0.007 . 1 . . . . . 169 ARG H . 50380 1 394 . 1 . 1 170 170 ARG CA C 13 55.652 0.119 . 1 . . . . . 169 ARG CA . 50380 1 395 . 1 . 1 170 170 ARG CB C 13 30.457 0.000 . 1 . . . . . 169 ARG CB . 50380 1 396 . 1 . 1 170 170 ARG N N 15 121.859 0.059 . 1 . . . . . 169 ARG N . 50380 1 397 . 1 . 1 173 173 VAL H H 1 7.104 0.019 . 1 . . . . . 172 VAL H . 50380 1 398 . 1 . 1 173 173 VAL C C 13 174.612 0.064 . 1 . . . . . 172 VAL C . 50380 1 399 . 1 . 1 173 173 VAL CA C 13 59.300 0.065 . 1 . . . . . 172 VAL CA . 50380 1 400 . 1 . 1 173 173 VAL CB C 13 35.956 0.034 . 1 . . . . . 172 VAL CB . 50380 1 401 . 1 . 1 173 173 VAL N N 15 107.884 0.152 . 1 . . . . . 172 VAL N . 50380 1 402 . 1 . 1 174 174 SER H H 1 8.992 0.015 . 1 . . . . . 173 SER H . 50380 1 403 . 1 . 1 174 174 SER C C 13 171.697 0.026 . 1 . . . . . 173 SER C . 50380 1 404 . 1 . 1 174 174 SER CA C 13 57.533 0.112 . 1 . . . . . 173 SER CA . 50380 1 405 . 1 . 1 174 174 SER CB C 13 65.973 0.002 . 1 . . . . . 173 SER CB . 50380 1 406 . 1 . 1 174 174 SER N N 15 116.773 0.109 . 1 . . . . . 173 SER N . 50380 1 407 . 1 . 1 175 175 PHE H H 1 9.261 0.015 . 1 . . . . . 174 PHE H . 50380 1 408 . 1 . 1 175 175 PHE C C 13 173.257 0.086 . 1 . . . . . 174 PHE C . 50380 1 409 . 1 . 1 175 175 PHE CA C 13 53.915 0.074 . 1 . . . . . 174 PHE CA . 50380 1 410 . 1 . 1 175 175 PHE CB C 13 41.008 0.047 . 1 . . . . . 174 PHE CB . 50380 1 411 . 1 . 1 175 175 PHE N N 15 116.692 0.072 . 1 . . . . . 174 PHE N . 50380 1 412 . 1 . 1 176 176 CYS H H 1 9.080 0.020 . 1 . . . . . 175 CYS H . 50380 1 413 . 1 . 1 176 176 CYS C C 13 173.879 0.057 . 1 . . . . . 175 CYS C . 50380 1 414 . 1 . 1 176 176 CYS CA C 13 56.665 0.098 . 1 . . . . . 175 CYS CA . 50380 1 415 . 1 . 1 176 176 CYS CB C 13 29.871 0.045 . 1 . . . . . 175 CYS CB . 50380 1 416 . 1 . 1 176 176 CYS N N 15 118.665 0.086 . 1 . . . . . 175 CYS N . 50380 1 417 . 1 . 1 177 177 VAL H H 1 8.513 0.009 . 1 . . . . . 176 VAL H . 50380 1 418 . 1 . 1 177 177 VAL C C 13 177.253 0.085 . 1 . . . . . 176 VAL C . 50380 1 419 . 1 . 1 177 177 VAL CA C 13 61.553 0.175 . 1 . . . . . 176 VAL CA . 50380 1 420 . 1 . 1 177 177 VAL CB C 13 33.013 0.110 . 1 . . . . . 176 VAL CB . 50380 1 421 . 1 . 1 177 177 VAL N N 15 123.234 0.098 . 1 . . . . . 176 VAL N . 50380 1 422 . 1 . 1 178 178 GLY H H 1 9.281 0.026 . 1 . . . . . 177 GLY H . 50380 1 423 . 1 . 1 178 178 GLY C C 13 174.344 0.000 . 1 . . . . . 177 GLY C . 50380 1 424 . 1 . 1 178 178 GLY CA C 13 46.583 0.091 . 1 . . . . . 177 GLY CA . 50380 1 425 . 1 . 1 178 178 GLY N N 15 118.751 0.096 . 1 . . . . . 177 GLY N . 50380 1 426 . 1 . 1 180 180 ASN H H 1 7.936 0.020 . 1 . . . . . 179 ASN H . 50380 1 427 . 1 . 1 180 180 ASN C C 13 172.620 0.000 . 1 . . . . . 179 ASN C . 50380 1 428 . 1 . 1 180 180 ASN CA C 13 52.549 0.058 . 1 . . . . . 179 ASN CA . 50380 1 429 . 1 . 1 180 180 ASN CB C 13 41.750 0.023 . 1 . . . . . 179 ASN CB . 50380 1 430 . 1 . 1 180 180 ASN N N 15 117.671 0.106 . 1 . . . . . 179 ASN N . 50380 1 431 . 1 . 1 181 181 SER H H 1 8.141 0.018 . 1 . . . . . 180 SER H . 50380 1 432 . 1 . 1 181 181 SER C C 13 172.499 0.046 . 1 . . . . . 180 SER C . 50380 1 433 . 1 . 1 181 181 SER CA C 13 56.578 0.117 . 1 . . . . . 180 SER CA . 50380 1 434 . 1 . 1 181 181 SER CB C 13 64.505 0.007 . 1 . . . . . 180 SER CB . 50380 1 435 . 1 . 1 181 181 SER N N 15 115.084 0.075 . 1 . . . . . 180 SER N . 50380 1 436 . 1 . 1 182 182 TYR H H 1 9.051 0.016 . 1 . . . . . 181 TYR H . 50380 1 437 . 1 . 1 182 182 TYR C C 13 173.479 0.009 . 1 . . . . . 181 TYR C . 50380 1 438 . 1 . 1 182 182 TYR CA C 13 56.141 0.092 . 1 . . . . . 181 TYR CA . 50380 1 439 . 1 . 1 182 182 TYR CB C 13 40.629 0.078 . 1 . . . . . 181 TYR CB . 50380 1 440 . 1 . 1 182 182 TYR N N 15 122.192 0.112 . 1 . . . . . 181 TYR N . 50380 1 441 . 1 . 1 183 183 ALA H H 1 8.704 0.014 . 1 . . . . . 182 ALA H . 50380 1 442 . 1 . 1 183 183 ALA C C 13 178.991 0.143 . 1 . . . . . 182 ALA C . 50380 1 443 . 1 . 1 183 183 ALA CA C 13 52.259 0.063 . 1 . . . . . 182 ALA CA . 50380 1 444 . 1 . 1 183 183 ALA CB C 13 19.627 0.000 . 1 . . . . . 182 ALA CB . 50380 1 445 . 1 . 1 183 183 ALA N N 15 123.526 0.101 . 1 . . . . . 182 ALA N . 50380 1 446 . 1 . 1 184 184 VAL H H 1 8.714 0.027 . 1 . . . . . 183 VAL H . 50380 1 447 . 1 . 1 184 184 VAL C C 13 171.439 0.048 . 1 . . . . . 183 VAL C . 50380 1 448 . 1 . 1 184 184 VAL CA C 13 64.170 0.062 . 1 . . . . . 183 VAL CA . 50380 1 449 . 1 . 1 184 184 VAL CB C 13 31.004 0.042 . 1 . . . . . 183 VAL CB . 50380 1 450 . 1 . 1 184 184 VAL N N 15 121.948 0.182 . 1 . . . . . 183 VAL N . 50380 1 451 . 1 . 1 185 185 GLY H H 1 9.286 0.018 . 1 . . . . . 184 GLY H . 50380 1 452 . 1 . 1 185 185 GLY C C 13 173.511 0.023 . 1 . . . . . 184 GLY C . 50380 1 453 . 1 . 1 185 185 GLY CA C 13 44.941 0.094 . 1 . . . . . 184 GLY CA . 50380 1 454 . 1 . 1 185 185 GLY N N 15 114.352 0.083 . 1 . . . . . 184 GLY N . 50380 1 455 . 1 . 1 186 186 SER H H 1 8.063 0.011 . 1 . . . . . 185 SER H . 50380 1 456 . 1 . 1 186 186 SER CA C 13 59.136 0.105 . 1 . . . . . 185 SER CA . 50380 1 457 . 1 . 1 186 186 SER CB C 13 64.419 0.000 . 1 . . . . . 185 SER CB . 50380 1 458 . 1 . 1 186 186 SER N N 15 114.806 0.070 . 1 . . . . . 185 SER N . 50380 1 stop_ save_