data_25413 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25413 _Entry.Title ; Lipid-Bilayer-Bound Conformation of an Integral Membrane beta-Barrel Protein by Multidimensional MAS NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-05 _Entry.Accession_date 2015-01-05 _Entry.Last_release_date 2015-01-06 _Entry.Original_release_date 2015-01-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Matthew Eddy . T. . . 25413 2 Yongchao Su . . . . 25413 3 Robert Silvers . . . . 25413 4 Loren Andreas . . . . 25413 5 Lindsay Clark . . . . 25413 6 Gerhard Wagner . . . . 25413 7 Guido Pintacuda . . . . 25413 8 Lyndon Emsley . . . . 25413 9 Robert Griffin . G. . . 25413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 25413 '15N chemical shifts' 77 25413 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 . . 2017-11-16 . original BMRB . 25413 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25413 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25634301 _Citation.Full_citation . _Citation.Title ; Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 61 _Citation.Journal_issue 3-4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 299 _Citation.Page_last 310 _Citation.Year 2015 _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 Matthew Eddy . T. . . 25413 1 2 Yongchao Su . . . . 25413 1 3 Robert Silvers . . . . 25413 1 4 Loren Andreas . . . . 25413 1 5 Lindsay Clark . . . . 25413 1 6 Gerhard Wagner . . . . 25413 1 7 Guido Pintacuda . . . . 25413 1 8 Lyndon Emsley . . . . 25413 1 9 Robert Griffin . . . . 25413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25413 _Assembly.ID 1 _Assembly.Name hVDAC1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hVDAC1 1 $hVDAC1 A . yes native no no . . . 25413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hVDAC1 _Entity.Sf_category entity _Entity.Sf_framecode hVDAC1 _Entity.Entry_ID 25413 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hVDAC1 _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 ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTEKWNTDNT LGTEITVEDQLARGLKLTFD SSFSPNTGKKNAKIKTGYKR EHINLGCDMDFDIAGPSIRG ALVLGYQGWLAGYQMNFETA KSRVTQSNFAVGYKTDEFQL HTNVNDGTEFGGSITQKVNK KLETAVNLAWTAGNSNTRFG IAAKYQIDPDACFSAKVNNS SLIGLGYTQTLKPGIKLTLS ALLDGKNVNAGGHKLGLGLE FQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 283 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1 MET . 25413 1 2 2 ALA . 25413 1 3 3 VAL . 25413 1 4 4 PRO . 25413 1 5 5 PRO . 25413 1 6 6 THR . 25413 1 7 7 TYR . 25413 1 8 8 ALA . 25413 1 9 9 ASP . 25413 1 10 10 LEU . 25413 1 11 11 GLY . 25413 1 12 12 LYS . 25413 1 13 13 SER . 25413 1 14 14 ALA . 25413 1 15 15 ARG . 25413 1 16 16 ASP . 25413 1 17 17 VAL . 25413 1 18 18 PHE . 25413 1 19 19 THR . 25413 1 20 20 LYS . 25413 1 21 21 GLY . 25413 1 22 22 TYR . 25413 1 23 23 GLY . 25413 1 24 24 PHE . 25413 1 25 25 GLY . 25413 1 26 26 LEU . 25413 1 27 27 ILE . 25413 1 28 28 LYS . 25413 1 29 29 LEU . 25413 1 30 30 ASP . 25413 1 31 31 LEU . 25413 1 32 32 LYS . 25413 1 33 33 THR . 25413 1 34 34 LYS . 25413 1 35 35 SER . 25413 1 36 36 GLU . 25413 1 37 37 ASN . 25413 1 38 38 GLY . 25413 1 39 39 LEU . 25413 1 40 40 GLU . 25413 1 41 41 PHE . 25413 1 42 42 THR . 25413 1 43 43 SER . 25413 1 44 44 SER . 25413 1 45 45 GLY . 25413 1 46 46 SER . 25413 1 47 47 ALA . 25413 1 48 48 ASN . 25413 1 49 49 THR . 25413 1 50 50 GLU . 25413 1 51 51 THR . 25413 1 52 52 THR . 25413 1 53 53 LYS . 25413 1 54 54 VAL . 25413 1 55 55 THR . 25413 1 56 56 GLY . 25413 1 57 57 SER . 25413 1 58 58 LEU . 25413 1 59 59 GLU . 25413 1 60 60 THR . 25413 1 61 61 LYS . 25413 1 62 62 TYR . 25413 1 63 63 ARG . 25413 1 64 64 TRP . 25413 1 65 65 THR . 25413 1 66 66 GLU . 25413 1 67 67 TYR . 25413 1 68 68 GLY . 25413 1 69 69 LEU . 25413 1 70 70 THR . 25413 1 71 71 PHE . 25413 1 72 72 THR . 25413 1 73 73 GLU . 25413 1 74 74 LYS . 25413 1 75 75 TRP . 25413 1 76 76 ASN . 25413 1 77 77 THR . 25413 1 78 78 ASP . 25413 1 79 79 ASN . 25413 1 80 80 THR . 25413 1 81 81 LEU . 25413 1 82 82 GLY . 25413 1 83 83 THR . 25413 1 84 84 GLU . 25413 1 85 85 ILE . 25413 1 86 86 THR . 25413 1 87 87 VAL . 25413 1 88 88 GLU . 25413 1 89 89 ASP . 25413 1 90 90 GLN . 25413 1 91 91 LEU . 25413 1 92 92 ALA . 25413 1 93 93 ARG . 25413 1 94 94 GLY . 25413 1 95 95 LEU . 25413 1 96 96 LYS . 25413 1 97 97 LEU . 25413 1 98 98 THR . 25413 1 99 99 PHE . 25413 1 100 100 ASP . 25413 1 101 101 SER . 25413 1 102 102 SER . 25413 1 103 103 PHE . 25413 1 104 104 SER . 25413 1 105 105 PRO . 25413 1 106 106 ASN . 25413 1 107 107 THR . 25413 1 108 108 GLY . 25413 1 109 109 LYS . 25413 1 110 110 LYS . 25413 1 111 111 ASN . 25413 1 112 112 ALA . 25413 1 113 113 LYS . 25413 1 114 114 ILE . 25413 1 115 115 LYS . 25413 1 116 116 THR . 25413 1 117 117 GLY . 25413 1 118 118 TYR . 25413 1 119 119 LYS . 25413 1 120 120 ARG . 25413 1 121 121 GLU . 25413 1 122 122 HIS . 25413 1 123 123 ILE . 25413 1 124 124 ASN . 25413 1 125 125 LEU . 25413 1 126 126 GLY . 25413 1 127 127 CYS . 25413 1 128 128 ASP . 25413 1 129 129 MET . 25413 1 130 130 ASP . 25413 1 131 131 PHE . 25413 1 132 132 ASP . 25413 1 133 133 ILE . 25413 1 134 134 ALA . 25413 1 135 135 GLY . 25413 1 136 136 PRO . 25413 1 137 137 SER . 25413 1 138 138 ILE . 25413 1 139 139 ARG . 25413 1 140 140 GLY . 25413 1 141 141 ALA . 25413 1 142 142 LEU . 25413 1 143 143 VAL . 25413 1 144 144 LEU . 25413 1 145 145 GLY . 25413 1 146 146 TYR . 25413 1 147 147 GLN . 25413 1 148 148 GLY . 25413 1 149 149 TRP . 25413 1 150 150 LEU . 25413 1 151 151 ALA . 25413 1 152 152 GLY . 25413 1 153 153 TYR . 25413 1 154 154 GLN . 25413 1 155 155 MET . 25413 1 156 156 ASN . 25413 1 157 157 PHE . 25413 1 158 158 GLU . 25413 1 159 159 THR . 25413 1 160 160 ALA . 25413 1 161 161 LYS . 25413 1 162 162 SER . 25413 1 163 163 ARG . 25413 1 164 164 VAL . 25413 1 165 165 THR . 25413 1 166 166 GLN . 25413 1 167 167 SER . 25413 1 168 168 ASN . 25413 1 169 169 PHE . 25413 1 170 170 ALA . 25413 1 171 171 VAL . 25413 1 172 172 GLY . 25413 1 173 173 TYR . 25413 1 174 174 LYS . 25413 1 175 175 THR . 25413 1 176 176 ASP . 25413 1 177 177 GLU . 25413 1 178 178 PHE . 25413 1 179 179 GLN . 25413 1 180 180 LEU . 25413 1 181 181 HIS . 25413 1 182 182 THR . 25413 1 183 183 ASN . 25413 1 184 184 VAL . 25413 1 185 185 ASN . 25413 1 186 186 ASP . 25413 1 187 187 GLY . 25413 1 188 188 THR . 25413 1 189 189 GLU . 25413 1 190 190 PHE . 25413 1 191 191 GLY . 25413 1 192 192 GLY . 25413 1 193 193 SER . 25413 1 194 194 ILE . 25413 1 195 195 THR . 25413 1 196 196 GLN . 25413 1 197 197 LYS . 25413 1 198 198 VAL . 25413 1 199 199 ASN . 25413 1 200 200 LYS . 25413 1 201 201 LYS . 25413 1 202 202 LEU . 25413 1 203 203 GLU . 25413 1 204 204 THR . 25413 1 205 205 ALA . 25413 1 206 206 VAL . 25413 1 207 207 ASN . 25413 1 208 208 LEU . 25413 1 209 209 ALA . 25413 1 210 210 TRP . 25413 1 211 211 THR . 25413 1 212 212 ALA . 25413 1 213 213 GLY . 25413 1 214 214 ASN . 25413 1 215 215 SER . 25413 1 216 216 ASN . 25413 1 217 217 THR . 25413 1 218 218 ARG . 25413 1 219 219 PHE . 25413 1 220 220 GLY . 25413 1 221 221 ILE . 25413 1 222 222 ALA . 25413 1 223 223 ALA . 25413 1 224 224 LYS . 25413 1 225 225 TYR . 25413 1 226 226 GLN . 25413 1 227 227 ILE . 25413 1 228 228 ASP . 25413 1 229 229 PRO . 25413 1 230 230 ASP . 25413 1 231 231 ALA . 25413 1 232 232 CYS . 25413 1 233 233 PHE . 25413 1 234 234 SER . 25413 1 235 235 ALA . 25413 1 236 236 LYS . 25413 1 237 237 VAL . 25413 1 238 238 ASN . 25413 1 239 239 ASN . 25413 1 240 240 SER . 25413 1 241 241 SER . 25413 1 242 242 LEU . 25413 1 243 243 ILE . 25413 1 244 244 GLY . 25413 1 245 245 LEU . 25413 1 246 246 GLY . 25413 1 247 247 TYR . 25413 1 248 248 THR . 25413 1 249 249 GLN . 25413 1 250 250 THR . 25413 1 251 251 LEU . 25413 1 252 252 LYS . 25413 1 253 253 PRO . 25413 1 254 254 GLY . 25413 1 255 255 ILE . 25413 1 256 256 LYS . 25413 1 257 257 LEU . 25413 1 258 258 THR . 25413 1 259 259 LEU . 25413 1 260 260 SER . 25413 1 261 261 ALA . 25413 1 262 262 LEU . 25413 1 263 263 LEU . 25413 1 264 264 ASP . 25413 1 265 265 GLY . 25413 1 266 266 LYS . 25413 1 267 267 ASN . 25413 1 268 268 VAL . 25413 1 269 269 ASN . 25413 1 270 270 ALA . 25413 1 271 271 GLY . 25413 1 272 272 GLY . 25413 1 273 273 HIS . 25413 1 274 274 LYS . 25413 1 275 275 LEU . 25413 1 276 276 GLY . 25413 1 277 277 LEU . 25413 1 278 278 GLY . 25413 1 279 279 LEU . 25413 1 280 280 GLU . 25413 1 281 281 PHE . 25413 1 282 282 GLN . 25413 1 283 283 ALA . 25413 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 25413 1 . ALA 2 2 25413 1 . VAL 3 3 25413 1 . PRO 4 4 25413 1 . PRO 5 5 25413 1 . THR 6 6 25413 1 . TYR 7 7 25413 1 . ALA 8 8 25413 1 . ASP 9 9 25413 1 . LEU 10 10 25413 1 . GLY 11 11 25413 1 . LYS 12 12 25413 1 . SER 13 13 25413 1 . ALA 14 14 25413 1 . ARG 15 15 25413 1 . ASP 16 16 25413 1 . VAL 17 17 25413 1 . PHE 18 18 25413 1 . THR 19 19 25413 1 . LYS 20 20 25413 1 . GLY 21 21 25413 1 . TYR 22 22 25413 1 . GLY 23 23 25413 1 . PHE 24 24 25413 1 . GLY 25 25 25413 1 . LEU 26 26 25413 1 . ILE 27 27 25413 1 . LYS 28 28 25413 1 . LEU 29 29 25413 1 . ASP 30 30 25413 1 . LEU 31 31 25413 1 . LYS 32 32 25413 1 . THR 33 33 25413 1 . LYS 34 34 25413 1 . SER 35 35 25413 1 . GLU 36 36 25413 1 . ASN 37 37 25413 1 . GLY 38 38 25413 1 . LEU 39 39 25413 1 . GLU 40 40 25413 1 . PHE 41 41 25413 1 . THR 42 42 25413 1 . SER 43 43 25413 1 . SER 44 44 25413 1 . GLY 45 45 25413 1 . SER 46 46 25413 1 . ALA 47 47 25413 1 . ASN 48 48 25413 1 . THR 49 49 25413 1 . GLU 50 50 25413 1 . THR 51 51 25413 1 . THR 52 52 25413 1 . LYS 53 53 25413 1 . VAL 54 54 25413 1 . THR 55 55 25413 1 . GLY 56 56 25413 1 . SER 57 57 25413 1 . LEU 58 58 25413 1 . GLU 59 59 25413 1 . THR 60 60 25413 1 . LYS 61 61 25413 1 . TYR 62 62 25413 1 . ARG 63 63 25413 1 . TRP 64 64 25413 1 . THR 65 65 25413 1 . GLU 66 66 25413 1 . TYR 67 67 25413 1 . GLY 68 68 25413 1 . LEU 69 69 25413 1 . THR 70 70 25413 1 . PHE 71 71 25413 1 . THR 72 72 25413 1 . GLU 73 73 25413 1 . LYS 74 74 25413 1 . TRP 75 75 25413 1 . ASN 76 76 25413 1 . THR 77 77 25413 1 . ASP 78 78 25413 1 . ASN 79 79 25413 1 . THR 80 80 25413 1 . LEU 81 81 25413 1 . GLY 82 82 25413 1 . THR 83 83 25413 1 . GLU 84 84 25413 1 . ILE 85 85 25413 1 . THR 86 86 25413 1 . VAL 87 87 25413 1 . GLU 88 88 25413 1 . ASP 89 89 25413 1 . GLN 90 90 25413 1 . LEU 91 91 25413 1 . ALA 92 92 25413 1 . ARG 93 93 25413 1 . GLY 94 94 25413 1 . LEU 95 95 25413 1 . LYS 96 96 25413 1 . LEU 97 97 25413 1 . THR 98 98 25413 1 . PHE 99 99 25413 1 . ASP 100 100 25413 1 . SER 101 101 25413 1 . SER 102 102 25413 1 . PHE 103 103 25413 1 . SER 104 104 25413 1 . PRO 105 105 25413 1 . ASN 106 106 25413 1 . THR 107 107 25413 1 . GLY 108 108 25413 1 . LYS 109 109 25413 1 . LYS 110 110 25413 1 . ASN 111 111 25413 1 . ALA 112 112 25413 1 . LYS 113 113 25413 1 . ILE 114 114 25413 1 . LYS 115 115 25413 1 . THR 116 116 25413 1 . GLY 117 117 25413 1 . TYR 118 118 25413 1 . LYS 119 119 25413 1 . ARG 120 120 25413 1 . GLU 121 121 25413 1 . HIS 122 122 25413 1 . ILE 123 123 25413 1 . ASN 124 124 25413 1 . LEU 125 125 25413 1 . GLY 126 126 25413 1 . CYS 127 127 25413 1 . ASP 128 128 25413 1 . MET 129 129 25413 1 . ASP 130 130 25413 1 . PHE 131 131 25413 1 . ASP 132 132 25413 1 . ILE 133 133 25413 1 . ALA 134 134 25413 1 . GLY 135 135 25413 1 . PRO 136 136 25413 1 . SER 137 137 25413 1 . ILE 138 138 25413 1 . ARG 139 139 25413 1 . GLY 140 140 25413 1 . ALA 141 141 25413 1 . LEU 142 142 25413 1 . VAL 143 143 25413 1 . LEU 144 144 25413 1 . GLY 145 145 25413 1 . TYR 146 146 25413 1 . GLN 147 147 25413 1 . GLY 148 148 25413 1 . TRP 149 149 25413 1 . LEU 150 150 25413 1 . ALA 151 151 25413 1 . GLY 152 152 25413 1 . TYR 153 153 25413 1 . GLN 154 154 25413 1 . MET 155 155 25413 1 . ASN 156 156 25413 1 . PHE 157 157 25413 1 . GLU 158 158 25413 1 . THR 159 159 25413 1 . ALA 160 160 25413 1 . LYS 161 161 25413 1 . SER 162 162 25413 1 . ARG 163 163 25413 1 . VAL 164 164 25413 1 . THR 165 165 25413 1 . GLN 166 166 25413 1 . SER 167 167 25413 1 . ASN 168 168 25413 1 . PHE 169 169 25413 1 . ALA 170 170 25413 1 . VAL 171 171 25413 1 . GLY 172 172 25413 1 . TYR 173 173 25413 1 . LYS 174 174 25413 1 . THR 175 175 25413 1 . ASP 176 176 25413 1 . GLU 177 177 25413 1 . PHE 178 178 25413 1 . GLN 179 179 25413 1 . LEU 180 180 25413 1 . HIS 181 181 25413 1 . THR 182 182 25413 1 . ASN 183 183 25413 1 . VAL 184 184 25413 1 . ASN 185 185 25413 1 . ASP 186 186 25413 1 . GLY 187 187 25413 1 . THR 188 188 25413 1 . GLU 189 189 25413 1 . PHE 190 190 25413 1 . GLY 191 191 25413 1 . GLY 192 192 25413 1 . SER 193 193 25413 1 . ILE 194 194 25413 1 . THR 195 195 25413 1 . GLN 196 196 25413 1 . LYS 197 197 25413 1 . VAL 198 198 25413 1 . ASN 199 199 25413 1 . LYS 200 200 25413 1 . LYS 201 201 25413 1 . LEU 202 202 25413 1 . GLU 203 203 25413 1 . THR 204 204 25413 1 . ALA 205 205 25413 1 . VAL 206 206 25413 1 . ASN 207 207 25413 1 . LEU 208 208 25413 1 . ALA 209 209 25413 1 . TRP 210 210 25413 1 . THR 211 211 25413 1 . ALA 212 212 25413 1 . GLY 213 213 25413 1 . ASN 214 214 25413 1 . SER 215 215 25413 1 . ASN 216 216 25413 1 . THR 217 217 25413 1 . ARG 218 218 25413 1 . PHE 219 219 25413 1 . GLY 220 220 25413 1 . ILE 221 221 25413 1 . ALA 222 222 25413 1 . ALA 223 223 25413 1 . LYS 224 224 25413 1 . TYR 225 225 25413 1 . GLN 226 226 25413 1 . ILE 227 227 25413 1 . ASP 228 228 25413 1 . PRO 229 229 25413 1 . ASP 230 230 25413 1 . ALA 231 231 25413 1 . CYS 232 232 25413 1 . PHE 233 233 25413 1 . SER 234 234 25413 1 . ALA 235 235 25413 1 . LYS 236 236 25413 1 . VAL 237 237 25413 1 . ASN 238 238 25413 1 . ASN 239 239 25413 1 . SER 240 240 25413 1 . SER 241 241 25413 1 . LEU 242 242 25413 1 . ILE 243 243 25413 1 . GLY 244 244 25413 1 . LEU 245 245 25413 1 . GLY 246 246 25413 1 . TYR 247 247 25413 1 . THR 248 248 25413 1 . GLN 249 249 25413 1 . THR 250 250 25413 1 . LEU 251 251 25413 1 . LYS 252 252 25413 1 . PRO 253 253 25413 1 . GLY 254 254 25413 1 . ILE 255 255 25413 1 . LYS 256 256 25413 1 . LEU 257 257 25413 1 . THR 258 258 25413 1 . LEU 259 259 25413 1 . SER 260 260 25413 1 . ALA 261 261 25413 1 . LEU 262 262 25413 1 . LEU 263 263 25413 1 . ASP 264 264 25413 1 . GLY 265 265 25413 1 . LYS 266 266 25413 1 . ASN 267 267 25413 1 . VAL 268 268 25413 1 . ASN 269 269 25413 1 . ALA 270 270 25413 1 . GLY 271 271 25413 1 . GLY 272 272 25413 1 . HIS 273 273 25413 1 . LYS 274 274 25413 1 . LEU 275 275 25413 1 . GLY 276 276 25413 1 . LEU 277 277 25413 1 . GLY 278 278 25413 1 . LEU 279 279 25413 1 . GLU 280 280 25413 1 . PHE 281 281 25413 1 . GLN 282 282 25413 1 . ALA 283 283 25413 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25413 _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 $hVDAC1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25413 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25413 _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 $hVDAC1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 25413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25413 _Sample.ID 1 _Sample.Type membrane _Sample.Sub_type . _Sample.Details '2D membrane crystal' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 hVDAC1 '[U-100% 13C; U-100% 15N]' . . 1 $hVDAC1 . . 40 . . mg . . . . 25413 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25413 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25413 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 25413 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25413 1 pH 7.0 . pH 25413 1 pressure 1 . atm 25413 1 temperature 298 . K 25413 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25413 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25413 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25413 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model Home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25413 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25413 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25413 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Home-built Home-built . 750 . . . 25413 1 2 spectrometer_2 Bruker Avance . 800 . . . 25413 1 3 spectrometer_3 Bruker Avance . 900 . . . 25413 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25413 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25413 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25413 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25413 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methylene carbon' . . . . ppm 38.48 na direct 1 . . . . . 25413 1 N 15 adamantane 'methylene carbon' . . . . ppm 38.48 na indirect 0.403 . . . . . 25413 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25413 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 25413 1 2 '3D NCOCX' . . . 25413 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ALA C C 13 174.9 0.3 . . . . . . . 2 ALA C . 25413 1 2 . 1 1 2 2 ALA CA C 13 51.2 0.3 . . . . . . . 2 ALA CA . 25413 1 3 . 1 1 2 2 ALA CB C 13 20.2 0.3 . . . . . . . 2 ALA CB . 25413 1 4 . 1 1 2 2 ALA N N 15 118.3 0.5 . . . . . . . 2 ALA N . 25413 1 5 . 1 1 3 3 VAL C C 13 174 0.3 . . . . . . . 3 VAL C . 25413 1 6 . 1 1 3 3 VAL N N 15 125 0.5 . . . . . . . 3 VAL N . 25413 1 7 . 1 1 4 4 PRO C C 13 173.5 0.3 . . . . . . . 4 PRO C . 25413 1 8 . 1 1 4 4 PRO CA C 13 61.7 0.3 . . . . . . . 4 PRO CA . 25413 1 9 . 1 1 4 4 PRO CB C 13 30.5 0.3 . . . . . . . 4 PRO CB . 25413 1 10 . 1 1 4 4 PRO CG C 13 26.5 0.3 . . . . . . . 4 PRO CG . 25413 1 11 . 1 1 4 4 PRO CD C 13 51.8 0.3 . . . . . . . 4 PRO CD . 25413 1 12 . 1 1 4 4 PRO N N 15 141.6 0.5 . . . . . . . 4 PRO N . 25413 1 13 . 1 1 5 5 PRO CA C 13 61.5 0.3 . . . . . . . 5 PRO CA . 25413 1 14 . 1 1 5 5 PRO CB C 13 32.1 0.3 . . . . . . . 5 PRO CB . 25413 1 15 . 1 1 5 5 PRO CG C 13 26.9 0.3 . . . . . . . 5 PRO CG . 25413 1 16 . 1 1 5 5 PRO CD C 13 50.3 0.3 . . . . . . . 5 PRO CD . 25413 1 17 . 1 1 5 5 PRO N N 15 133.1 0.5 . . . . . . . 5 PRO N . 25413 1 18 . 1 1 6 6 THR C C 13 172.7 0.3 . . . . . . . 6 THR C . 25413 1 19 . 1 1 6 6 THR CA C 13 59.6 0.3 . . . . . . . 6 THR CA . 25413 1 20 . 1 1 6 6 THR CB C 13 72.6 0.3 . . . . . . . 6 THR CB . 25413 1 21 . 1 1 6 6 THR CG2 C 13 22 0.3 . . . . . . . 6 THR CG . 25413 1 22 . 1 1 7 7 TYR C C 13 175.1 0.3 . . . . . . . 7 TYR C . 25413 1 23 . 1 1 7 7 TYR CA C 13 60.1 0.3 . . . . . . . 7 TYR CA . 25413 1 24 . 1 1 7 7 TYR CB C 13 35.8 0.3 . . . . . . . 7 TYR CB . 25413 1 25 . 1 1 7 7 TYR N N 15 120.5 0.5 . . . . . . . 7 TYR N . 25413 1 26 . 1 1 8 8 ALA C C 13 177.7 0.3 . . . . . . . 8 ALA C . 25413 1 27 . 1 1 8 8 ALA CA C 13 54.1 0.3 . . . . . . . 8 ALA CA . 25413 1 28 . 1 1 8 8 ALA CB C 13 18.6 0.3 . . . . . . . 8 ALA CB . 25413 1 29 . 1 1 8 8 ALA N N 15 119.3 0.5 . . . . . . . 8 ALA N . 25413 1 30 . 1 1 9 9 ASP C C 13 179.8 0.3 . . . . . . . 9 ASP C . 25413 1 31 . 1 1 9 9 ASP CA C 13 54.2 0.3 . . . . . . . 9 ASP CA . 25413 1 32 . 1 1 9 9 ASP N N 15 114.7 0.5 . . . . . . . 9 ASP N . 25413 1 33 . 1 1 10 10 LEU C C 13 175.5 0.3 . . . . . . . 10 LEU C . 25413 1 34 . 1 1 10 10 LEU CA C 13 55.1 0.3 . . . . . . . 10 LEU CA . 25413 1 35 . 1 1 10 10 LEU N N 15 126.7 0.5 . . . . . . . 10 LEU N . 25413 1 36 . 1 1 11 11 GLY C C 13 174.1 0.3 . . . . . . . 11 GLY C . 25413 1 37 . 1 1 11 11 GLY CA C 13 45.7 0.3 . . . . . . . 11 GLY CA . 25413 1 38 . 1 1 11 11 GLY N N 15 116.4 0.5 . . . . . . . 11 GLY N . 25413 1 39 . 1 1 12 12 LYS C C 13 176.7 0.3 . . . . . . . 12 LYS C . 25413 1 40 . 1 1 12 12 LYS CA C 13 60.1 0.3 . . . . . . . 12 LYS CA . 25413 1 41 . 1 1 12 12 LYS CB C 13 33.5 0.3 . . . . . . . 12 LYS CB . 25413 1 42 . 1 1 12 12 LYS CG C 13 24.6 0.3 . . . . . . . 12 LYS CG . 25413 1 43 . 1 1 12 12 LYS CD C 13 29.4 0.3 . . . . . . . 12 LYS CD . 25413 1 44 . 1 1 12 12 LYS N N 15 122.4 0.5 . . . . . . . 12 LYS N . 25413 1 45 . 1 1 13 13 SER C C 13 176.5 0.3 . . . . . . . 13 SER C . 25413 1 46 . 1 1 13 13 SER CA C 13 60.1 0.3 . . . . . . . 13 SER CA . 25413 1 47 . 1 1 13 13 SER CB C 13 63.4 0.3 . . . . . . . 13 SER CB . 25413 1 48 . 1 1 13 13 SER N N 15 115.6 0.5 . . . . . . . 13 SER N . 25413 1 49 . 1 1 14 14 ALA C C 13 178.9 0.3 . . . . . . . 14 ALA C . 25413 1 50 . 1 1 14 14 ALA CA C 13 55.5 0.3 . . . . . . . 14 ALA CA . 25413 1 51 . 1 1 14 14 ALA CB C 13 18.3 0.3 . . . . . . . 14 ALA CB . 25413 1 52 . 1 1 14 14 ALA N N 15 121.8 0.5 . . . . . . . 14 ALA N . 25413 1 53 . 1 1 15 15 ARG C C 13 176.4 0.3 . . . . . . . 15 ARG C . 25413 1 54 . 1 1 15 15 ARG CA C 13 63 0.3 . . . . . . . 15 ARG CA . 25413 1 55 . 1 1 15 15 ARG CG C 13 22.6 0.3 . . . . . . . 15 ARG CG . 25413 1 56 . 1 1 15 15 ARG N N 15 116.4 0.5 . . . . . . . 15 ARG N . 25413 1 57 . 1 1 17 17 VAL C C 13 178.7 0.3 . . . . . . . 17 VAL C . 25413 1 58 . 1 1 17 17 VAL CA C 13 66.8 0.3 . . . . . . . 17 VAL CA . 25413 1 59 . 1 1 17 17 VAL CB C 13 31.2 0.3 . . . . . . . 17 VAL CB . 25413 1 60 . 1 1 17 17 VAL CG1 C 13 24.1 0.3 . . . . . . . 17 VAL CG1 . 25413 1 61 . 1 1 17 17 VAL N N 15 120.1 0.5 . . . . . . . 17 VAL N . 25413 1 62 . 1 1 18 18 PHE C C 13 176.4 0.3 . . . . . . . 18 PHE C . 25413 1 63 . 1 1 18 18 PHE CA C 13 62.7 0.3 . . . . . . . 18 PHE CA . 25413 1 64 . 1 1 18 18 PHE CB C 13 41.1 0.3 . . . . . . . 18 PHE CB . 25413 1 65 . 1 1 18 18 PHE N N 15 116.1 0.5 . . . . . . . 18 PHE N . 25413 1 66 . 1 1 19 19 THR C C 13 176.5 0.3 . . . . . . . 19 THR C . 25413 1 67 . 1 1 19 19 THR CA C 13 64.2 0.3 . . . . . . . 19 THR CA . 25413 1 68 . 1 1 19 19 THR CB C 13 71.2 0.3 . . . . . . . 19 THR CB . 25413 1 69 . 1 1 19 19 THR CG2 C 13 21.6 0.3 . . . . . . . 19 THR CG . 25413 1 70 . 1 1 19 19 THR N N 15 108.6 0.5 . . . . . . . 19 THR N . 25413 1 71 . 1 1 20 20 LYS C C 13 176.8 0.3 . . . . . . . 20 LYS C . 25413 1 72 . 1 1 20 20 LYS CA C 13 57.8 0.3 . . . . . . . 20 LYS CA . 25413 1 73 . 1 1 20 20 LYS CB C 13 32 0.3 . . . . . . . 20 LYS CB . 25413 1 74 . 1 1 20 20 LYS CG C 13 25.6 0.3 . . . . . . . 20 LYS CG . 25413 1 75 . 1 1 20 20 LYS N N 15 124.1 0.5 . . . . . . . 20 LYS N . 25413 1 76 . 1 1 21 21 GLY C C 13 171.2 0.3 . . . . . . . 21 GLY C . 25413 1 77 . 1 1 21 21 GLY CA C 13 45 0.3 . . . . . . . 21 GLY CA . 25413 1 78 . 1 1 21 21 GLY N N 15 108.8 0.5 . . . . . . . 21 GLY N . 25413 1 79 . 1 1 23 23 GLY C C 13 170.8 0.3 . . . . . . . 23 GLY C . 25413 1 80 . 1 1 23 23 GLY CA C 13 45.1 0.3 . . . . . . . 23 GLY CA . 25413 1 81 . 1 1 24 24 PHE CA C 13 54.4 0.3 . . . . . . . 24 PHE CA . 25413 1 82 . 1 1 24 24 PHE CB C 13 43.8 0.3 . . . . . . . 24 PHE CB . 25413 1 83 . 1 1 24 24 PHE N N 15 124.5 0.5 . . . . . . . 24 PHE N . 25413 1 84 . 1 1 79 79 ASN C C 13 177.1 0.3 . . . . . . . 79 ASN C . 25413 1 85 . 1 1 79 79 ASN CA C 13 53.9 0.3 . . . . . . . 79 ASN CA . 25413 1 86 . 1 1 79 79 ASN CB C 13 40 0.3 . . . . . . . 79 ASN CB . 25413 1 87 . 1 1 79 79 ASN N N 15 115.1 0.5 . . . . . . . 79 ASN N . 25413 1 88 . 1 1 80 80 THR C C 13 173.6 0.3 . . . . . . . 80 THR C . 25413 1 89 . 1 1 80 80 THR CA C 13 63 0.3 . . . . . . . 80 THR CA . 25413 1 90 . 1 1 80 80 THR CB C 13 71.7 0.3 . . . . . . . 80 THR CB . 25413 1 91 . 1 1 80 80 THR N N 15 118.9 0.5 . . . . . . . 80 THR N . 25413 1 92 . 1 1 81 81 LEU C C 13 176 0.3 . . . . . . . 81 LEU C . 25413 1 93 . 1 1 81 81 LEU CA C 13 55.7 0.3 . . . . . . . 81 LEU CA . 25413 1 94 . 1 1 81 81 LEU CB C 13 41.5 0.3 . . . . . . . 81 LEU CB . 25413 1 95 . 1 1 81 81 LEU N N 15 127.5 0.5 . . . . . . . 81 LEU N . 25413 1 96 . 1 1 82 82 GLY C C 13 172.2 0.3 . . . . . . . 82 GLY C . 25413 1 97 . 1 1 82 82 GLY CA C 13 46.8 0.3 . . . . . . . 82 GLY CA . 25413 1 98 . 1 1 82 82 GLY N N 15 105.4 0.5 . . . . . . . 82 GLY N . 25413 1 99 . 1 1 83 83 THR C C 13 173 0.3 . . . . . . . 83 THR C . 25413 1 100 . 1 1 83 83 THR CA C 13 63.4 0.3 . . . . . . . 83 THR CA . 25413 1 101 . 1 1 83 83 THR CB C 13 72.1 0.3 . . . . . . . 83 THR CB . 25413 1 102 . 1 1 83 83 THR N N 15 108.8 0.5 . . . . . . . 83 THR N . 25413 1 103 . 1 1 84 84 GLU C C 13 174.4 0.3 . . . . . . . 84 GLU C . 25413 1 104 . 1 1 84 84 GLU CA C 13 55 0.3 . . . . . . . 84 GLU CA . 25413 1 105 . 1 1 84 84 GLU CB C 13 31.2 0.3 . . . . . . . 84 GLU CB . 25413 1 106 . 1 1 84 84 GLU CG C 13 35.3 0.3 . . . . . . . 84 GLU CG . 25413 1 107 . 1 1 84 84 GLU N N 15 122.4 0.5 . . . . . . . 84 GLU N . 25413 1 108 . 1 1 85 85 ILE N N 15 125.9 0.5 . . . . . . . 85 ILE N . 25413 1 109 . 1 1 97 97 LEU C C 13 174.2 0.3 . . . . . . . 97 LEU C . 25413 1 110 . 1 1 97 97 LEU CA C 13 54.5 0.3 . . . . . . . 97 LEU CA . 25413 1 111 . 1 1 97 97 LEU CG C 13 28.9 0.3 . . . . . . . 97 LEU CG . 25413 1 112 . 1 1 97 97 LEU CD1 C 13 26.5 0.3 . . . . . . . 97 LEU CD . 25413 1 113 . 1 1 97 97 LEU CD2 C 13 26.5 0.3 . . . . . . . 97 LEU CD . 25413 1 114 . 1 1 98 98 THR C C 13 173.3 0.3 . . . . . . . 98 THR C . 25413 1 115 . 1 1 98 98 THR CA C 13 61.5 0.3 . . . . . . . 98 THR CA . 25413 1 116 . 1 1 98 98 THR CB C 13 72 0.3 . . . . . . . 98 THR CB . 25413 1 117 . 1 1 98 98 THR N N 15 118.7 0.5 . . . . . . . 98 THR N . 25413 1 118 . 1 1 99 99 PHE C C 13 173.8 0.3 . . . . . . . 99 PHE C . 25413 1 119 . 1 1 99 99 PHE CA C 13 55.5 0.3 . . . . . . . 99 PHE CA . 25413 1 120 . 1 1 99 99 PHE CB C 13 41.7 0.3 . . . . . . . 99 PHE CB . 25413 1 121 . 1 1 99 99 PHE N N 15 126 0.5 . . . . . . . 99 PHE N . 25413 1 122 . 1 1 100 100 ASP C C 13 174.4 0.3 . . . . . . . 100 ASP C . 25413 1 123 . 1 1 100 100 ASP CA C 13 53.7 0.3 . . . . . . . 100 ASP CA . 25413 1 124 . 1 1 100 100 ASP CB C 13 46.4 0.3 . . . . . . . 100 ASP CB . 25413 1 125 . 1 1 100 100 ASP N N 15 128.1 0.5 . . . . . . . 100 ASP N . 25413 1 126 . 1 1 101 101 SER C C 13 172.6 0.3 . . . . . . . 101 SER C . 25413 1 127 . 1 1 101 101 SER CA C 13 57.9 0.3 . . . . . . . 101 SER CA . 25413 1 128 . 1 1 101 101 SER CB C 13 66.1 0.3 . . . . . . . 101 SER CB . 25413 1 129 . 1 1 102 102 SER C C 13 170.8 0.3 . . . . . . . 102 SER C . 25413 1 130 . 1 1 102 102 SER CA C 13 57.8 0.3 . . . . . . . 102 SER CA . 25413 1 131 . 1 1 102 102 SER CB C 13 65.1 0.3 . . . . . . . 102 SER CB . 25413 1 132 . 1 1 103 103 PHE C C 13 175.3 0.3 . . . . . . . 103 PHE C . 25413 1 133 . 1 1 103 103 PHE CA C 13 55.2 0.3 . . . . . . . 103 PHE CA . 25413 1 134 . 1 1 103 103 PHE CB C 13 41.1 0.3 . . . . . . . 103 PHE CB . 25413 1 135 . 1 1 103 103 PHE N N 15 122.6 0.5 . . . . . . . 103 PHE N . 25413 1 136 . 1 1 104 104 SER C C 13 172.8 0.3 . . . . . . . 104 SER C . 25413 1 137 . 1 1 104 104 SER CA C 13 58.9 0.3 . . . . . . . 104 SER CA . 25413 1 138 . 1 1 104 104 SER N N 15 120.3 0.5 . . . . . . . 104 SER N . 25413 1 139 . 1 1 105 105 PRO CA C 13 65.8 0.3 . . . . . . . 105 PRO CA . 25413 1 140 . 1 1 105 105 PRO CB C 13 31.4 0.3 . . . . . . . 105 PRO CB . 25413 1 141 . 1 1 105 105 PRO CD C 13 50.2 0.3 . . . . . . . 105 PRO CD . 25413 1 142 . 1 1 105 105 PRO N N 15 130.6 0.5 . . . . . . . 105 PRO N . 25413 1 143 . 1 1 135 135 GLY C C 13 170.3 0.3 . . . . . . . 135 GLY C . 25413 1 144 . 1 1 135 135 GLY CA C 13 46.2 0.3 . . . . . . . 135 GLY CA . 25413 1 145 . 1 1 136 136 PRO C C 13 175.1 0.3 . . . . . . . 136 PRO C . 25413 1 146 . 1 1 136 136 PRO CA C 13 60.5 0.3 . . . . . . . 136 PRO CA . 25413 1 147 . 1 1 136 136 PRO CB C 13 35.6 0.3 . . . . . . . 136 PRO CB . 25413 1 148 . 1 1 136 136 PRO CD C 13 50.1 0.3 . . . . . . . 136 PRO CD . 25413 1 149 . 1 1 136 136 PRO N N 15 133.7 0.5 . . . . . . . 136 PRO N . 25413 1 150 . 1 1 137 137 SER C C 13 172.3 0.3 . . . . . . . 137 SER C . 25413 1 151 . 1 1 137 137 SER CA C 13 57.9 0.3 . . . . . . . 137 SER CA . 25413 1 152 . 1 1 137 137 SER CB C 13 65.4 0.3 . . . . . . . 137 SER CB . 25413 1 153 . 1 1 137 137 SER N N 15 119.7 0.5 . . . . . . . 137 SER N . 25413 1 154 . 1 1 138 138 ILE C C 13 172.9 0.3 . . . . . . . 138 ILE C . 25413 1 155 . 1 1 138 138 ILE CA C 13 56.3 0.3 . . . . . . . 138 ILE CA . 25413 1 156 . 1 1 138 138 ILE CB C 13 44.2 0.3 . . . . . . . 138 ILE CB . 25413 1 157 . 1 1 138 138 ILE CG1 C 13 25.4 0.3 . . . . . . . 138 ILE CG1 . 25413 1 158 . 1 1 138 138 ILE CD1 C 13 16.3 0.3 . . . . . . . 138 ILE CD . 25413 1 159 . 1 1 138 138 ILE N N 15 125 0.5 . . . . . . . 138 ILE N . 25413 1 160 . 1 1 139 139 ARG C C 13 175.4 0.3 . . . . . . . 139 ARG C . 25413 1 161 . 1 1 139 139 ARG CA C 13 51.2 0.3 . . . . . . . 139 ARG CA . 25413 1 162 . 1 1 139 139 ARG CB C 13 35.9 0.3 . . . . . . . 139 ARG CB . 25413 1 163 . 1 1 139 139 ARG CG C 13 24.1 0.3 . . . . . . . 139 ARG CG . 25413 1 164 . 1 1 139 139 ARG CD C 13 41.6 0.3 . . . . . . . 139 ARG CD . 25413 1 165 . 1 1 139 139 ARG N N 15 122.7 0.5 . . . . . . . 139 ARG N . 25413 1 166 . 1 1 140 140 GLY C C 13 170.9 0.3 . . . . . . . 140 GLY C . 25413 1 167 . 1 1 140 140 GLY CA C 13 44.4 0.3 . . . . . . . 140 GLY CA . 25413 1 168 . 1 1 140 140 GLY N N 15 114.4 0.5 . . . . . . . 140 GLY N . 25413 1 169 . 1 1 141 141 ALA C C 13 174.8 0.3 . . . . . . . 141 ALA C . 25413 1 170 . 1 1 141 141 ALA CA C 13 51.4 0.3 . . . . . . . 141 ALA CA . 25413 1 171 . 1 1 141 141 ALA CB C 13 23.1 0.3 . . . . . . . 141 ALA CB . 25413 1 172 . 1 1 141 141 ALA N N 15 123.9 0.5 . . . . . . . 141 ALA N . 25413 1 173 . 1 1 142 142 LEU C C 13 174.3 0.3 . . . . . . . 142 LEU C . 25413 1 174 . 1 1 142 142 LEU CA C 13 51.4 0.3 . . . . . . . 142 LEU CA . 25413 1 175 . 1 1 142 142 LEU CB C 13 45.1 0.3 . . . . . . . 142 LEU CB . 25413 1 176 . 1 1 142 142 LEU CG C 13 24.6 0.3 . . . . . . . 142 LEU CG . 25413 1 177 . 1 1 142 142 LEU CD1 C 13 23.6 0.3 . . . . . . . 142 LEU CD . 25413 1 178 . 1 1 142 142 LEU CD2 C 13 23.6 0.3 . . . . . . . 142 LEU CD . 25413 1 179 . 1 1 142 142 LEU N N 15 123.9 0.5 . . . . . . . 142 LEU N . 25413 1 180 . 1 1 143 143 VAL C C 13 174.1 0.3 . . . . . . . 143 VAL C . 25413 1 181 . 1 1 143 143 VAL CA C 13 61.4 0.3 . . . . . . . 143 VAL CA . 25413 1 182 . 1 1 143 143 VAL CB C 13 35.3 0.3 . . . . . . . 143 VAL CB . 25413 1 183 . 1 1 143 143 VAL CG1 C 13 23.5 0.3 . . . . . . . 143 VAL CG1 . 25413 1 184 . 1 1 143 143 VAL N N 15 124.6 0.5 . . . . . . . 143 VAL N . 25413 1 185 . 1 1 144 144 LEU C C 13 175.8 0.3 . . . . . . . 144 LEU C . 25413 1 186 . 1 1 144 144 LEU CA C 13 52.3 0.3 . . . . . . . 144 LEU CA . 25413 1 187 . 1 1 144 144 LEU CB C 13 44.4 0.3 . . . . . . . 144 LEU CB . 25413 1 188 . 1 1 144 144 LEU CG C 13 26.1 0.3 . . . . . . . 144 LEU CG . 25413 1 189 . 1 1 144 144 LEU CD1 C 13 22.2 0.3 . . . . . . . 144 LEU CD . 25413 1 190 . 1 1 144 144 LEU CD2 C 13 22.2 0.3 . . . . . . . 144 LEU CD . 25413 1 191 . 1 1 144 144 LEU N N 15 126 0.5 . . . . . . . 144 LEU N . 25413 1 192 . 1 1 145 145 GLY C C 13 172.8 0.3 . . . . . . . 145 GLY C . 25413 1 193 . 1 1 145 145 GLY CA C 13 44.7 0.3 . . . . . . . 145 GLY CA . 25413 1 194 . 1 1 145 145 GLY N N 15 107.1 0.5 . . . . . . . 145 GLY N . 25413 1 195 . 1 1 146 146 TYR C C 13 174.8 0.3 . . . . . . . 146 TYR C . 25413 1 196 . 1 1 146 146 TYR CA C 13 54.1 0.3 . . . . . . . 146 TYR CA . 25413 1 197 . 1 1 146 146 TYR CB C 13 42.9 0.3 . . . . . . . 146 TYR CB . 25413 1 198 . 1 1 146 146 TYR N N 15 122.1 0.5 . . . . . . . 146 TYR N . 25413 1 199 . 1 1 147 147 GLN N N 15 123.9 0.5 . . . . . . . 147 GLN N . 25413 1 200 . 1 1 170 170 ALA C C 13 175.1 0.3 . . . . . . . 170 ALA C . 25413 1 201 . 1 1 170 170 ALA CA C 13 51.6 0.3 . . . . . . . 170 ALA CA . 25413 1 202 . 1 1 170 170 ALA CB C 13 21.8 0.3 . . . . . . . 170 ALA CB . 25413 1 203 . 1 1 171 171 VAL C C 13 174.1 0.3 . . . . . . . 171 VAL C . 25413 1 204 . 1 1 171 171 VAL CA C 13 61.5 0.3 . . . . . . . 171 VAL CA . 25413 1 205 . 1 1 171 171 VAL CB C 13 32.2 0.3 . . . . . . . 171 VAL CB . 25413 1 206 . 1 1 171 171 VAL N N 15 119.6 0.5 . . . . . . . 171 VAL N . 25413 1 207 . 1 1 172 172 GLY CA C 13 47.4 0.3 . . . . . . . 172 GLY CA . 25413 1 208 . 1 1 172 172 GLY N N 15 105.3 0.5 . . . . . . . 172 GLY N . 25413 1 209 . 1 1 185 185 ASN C C 13 173.9 0.3 . . . . . . . 185 ASN C . 25413 1 210 . 1 1 185 185 ASN CA C 13 54.3 0.3 . . . . . . . 185 ASN CA . 25413 1 211 . 1 1 185 185 ASN CB C 13 42.6 0.3 . . . . . . . 185 ASN CB . 25413 1 212 . 1 1 186 186 ASP C C 13 172.9 0.3 . . . . . . . 186 ASP C . 25413 1 213 . 1 1 186 186 ASP CA C 13 56.3 0.3 . . . . . . . 186 ASP CA . 25413 1 214 . 1 1 186 186 ASP CB C 13 43.7 0.3 . . . . . . . 186 ASP CB . 25413 1 215 . 1 1 186 186 ASP N N 15 127.1 0.5 . . . . . . . 186 ASP N . 25413 1 216 . 1 1 187 187 GLY C C 13 171.3 0.3 . . . . . . . 187 GLY C . 25413 1 217 . 1 1 187 187 GLY CA C 13 44.6 0.3 . . . . . . . 187 GLY CA . 25413 1 218 . 1 1 187 187 GLY N N 15 107.1 0.5 . . . . . . . 187 GLY N . 25413 1 219 . 1 1 188 188 THR C C 13 176.2 0.3 . . . . . . . 188 THR C . 25413 1 220 . 1 1 188 188 THR CA C 13 60.5 0.3 . . . . . . . 188 THR CA . 25413 1 221 . 1 1 188 188 THR CB C 13 70.3 0.3 . . . . . . . 188 THR CB . 25413 1 222 . 1 1 188 188 THR N N 15 105.4 0.5 . . . . . . . 188 THR N . 25413 1 223 . 1 1 189 189 GLU C C 13 174.3 0.3 . . . . . . . 189 GLU C . 25413 1 224 . 1 1 189 189 GLU CA C 13 54.9 0.3 . . . . . . . 189 GLU CA . 25413 1 225 . 1 1 189 189 GLU CB C 13 31.2 0.3 . . . . . . . 189 GLU CB . 25413 1 226 . 1 1 189 189 GLU N N 15 122.3 0.5 . . . . . . . 189 GLU N . 25413 1 227 . 1 1 190 190 PHE N N 15 125.8 0.5 . . . . . . . 190 PHE N . 25413 1 228 . 1 1 192 192 GLY C C 13 171.3 0.3 . . . . . . . 192 GLY C . 25413 1 229 . 1 1 192 192 GLY CA C 13 46.1 0.3 . . . . . . . 192 GLY CA . 25413 1 230 . 1 1 193 193 SER C C 13 173.6 0.3 . . . . . . . 193 SER C . 25413 1 231 . 1 1 193 193 SER CA C 13 56.4 0.3 . . . . . . . 193 SER CA . 25413 1 232 . 1 1 193 193 SER CB C 13 67.6 0.3 . . . . . . . 193 SER CB . 25413 1 233 . 1 1 193 193 SER N N 15 114.3 0.5 . . . . . . . 193 SER N . 25413 1 234 . 1 1 194 194 ILE N N 15 117.5 0.5 . . . . . . . 194 ILE N . 25413 1 235 . 1 1 195 195 THR C C 13 174.1 0.3 . . . . . . . 195 THR C . 25413 1 236 . 1 1 195 195 THR CA C 13 53.5 0.3 . . . . . . . 195 THR CA . 25413 1 237 . 1 1 195 195 THR N N 15 127.7 0.5 . . . . . . . 195 THR N . 25413 1 238 . 1 1 196 196 GLN C C 13 173.7 0.3 . . . . . . . 196 GLN C . 25413 1 239 . 1 1 196 196 GLN CA C 13 55.1 0.3 . . . . . . . 196 GLN CA . 25413 1 240 . 1 1 196 196 GLN CB C 13 32.6 0.3 . . . . . . . 196 GLN CB . 25413 1 241 . 1 1 196 196 GLN N N 15 123.9 0.5 . . . . . . . 196 GLN N . 25413 1 242 . 1 1 197 197 LYS C C 13 173.7 0.3 . . . . . . . 197 LYS C . 25413 1 243 . 1 1 197 197 LYS CA C 13 54.7 0.3 . . . . . . . 197 LYS CA . 25413 1 244 . 1 1 197 197 LYS CB C 13 32.8 0.3 . . . . . . . 197 LYS CB . 25413 1 245 . 1 1 197 197 LYS N N 15 131.7 0.5 . . . . . . . 197 LYS N . 25413 1 246 . 1 1 198 198 VAL C C 13 174.9 0.3 . . . . . . . 198 VAL C . 25413 1 247 . 1 1 198 198 VAL CA C 13 63 0.3 . . . . . . . 198 VAL CA . 25413 1 248 . 1 1 198 198 VAL CG1 C 13 22.6 0.3 . . . . . . . 198 VAL CG1 . 25413 1 249 . 1 1 198 198 VAL N N 15 126.8 0.5 . . . . . . . 198 VAL N . 25413 1 250 . 1 1 199 199 ASN N N 15 130.9 0.5 . . . . . . . 199 ASN N . 25413 1 251 . 1 1 229 229 PRO CA C 13 65.6 0.3 . . . . . . . 229 PRO CA . 25413 1 252 . 1 1 229 229 PRO CB C 13 33 0.3 . . . . . . . 229 PRO CB . 25413 1 253 . 1 1 229 229 PRO CD C 13 49.6 0.3 . . . . . . . 229 PRO CD . 25413 1 254 . 1 1 229 229 PRO N N 15 134.4 0.5 . . . . . . . 229 PRO N . 25413 1 255 . 1 1 253 253 PRO C C 13 176.3 0.3 . . . . . . . 253 PRO C . 25413 1 256 . 1 1 253 253 PRO CA C 13 66.2 0.3 . . . . . . . 253 PRO CA . 25413 1 257 . 1 1 253 253 PRO CB C 13 32.1 0.3 . . . . . . . 253 PRO CB . 25413 1 258 . 1 1 253 253 PRO CG C 13 28.2 0.3 . . . . . . . 253 PRO CG . 25413 1 259 . 1 1 253 253 PRO CD C 13 50.8 0.3 . . . . . . . 253 PRO CD . 25413 1 260 . 1 1 253 253 PRO N N 15 131.1 0.5 . . . . . . . 253 PRO N . 25413 1 261 . 1 1 254 254 GLY C C 13 170 0.3 . . . . . . . 254 GLY C . 25413 1 262 . 1 1 254 254 GLY CA C 13 45.9 0.3 . . . . . . . 254 GLY CA . 25413 1 263 . 1 1 254 254 GLY N N 15 114.1 0.5 . . . . . . . 254 GLY N . 25413 1 264 . 1 1 255 255 ILE C C 13 174.3 0.3 . . . . . . . 255 ILE C . 25413 1 265 . 1 1 255 255 ILE CA C 13 60.1 0.3 . . . . . . . 255 ILE CA . 25413 1 266 . 1 1 255 255 ILE CB C 13 36.7 0.3 . . . . . . . 255 ILE CB . 25413 1 267 . 1 1 255 255 ILE N N 15 118.7 0.5 . . . . . . . 255 ILE N . 25413 1 268 . 1 1 256 256 LYS C C 13 174.4 0.3 . . . . . . . 256 LYS C . 25413 1 269 . 1 1 256 256 LYS CA C 13 55.2 0.3 . . . . . . . 256 LYS CA . 25413 1 270 . 1 1 256 256 LYS CB C 13 36.9 0.3 . . . . . . . 256 LYS CB . 25413 1 271 . 1 1 256 256 LYS CD C 13 27.5 0.3 . . . . . . . 256 LYS CD . 25413 1 272 . 1 1 256 256 LYS N N 15 126.9 0.5 . . . . . . . 256 LYS N . 25413 1 273 . 1 1 257 257 LEU C C 13 174.7 0.3 . . . . . . . 257 LEU C . 25413 1 274 . 1 1 257 257 LEU CA C 13 54.1 0.3 . . . . . . . 257 LEU CA . 25413 1 275 . 1 1 257 257 LEU CB C 13 45.9 0.3 . . . . . . . 257 LEU CB . 25413 1 276 . 1 1 257 257 LEU N N 15 126.5 0.5 . . . . . . . 257 LEU N . 25413 1 277 . 1 1 258 258 THR C C 13 173 0.3 . . . . . . . 258 THR C . 25413 1 278 . 1 1 258 258 THR CA C 13 61.7 0.3 . . . . . . . 258 THR CA . 25413 1 279 . 1 1 258 258 THR CB C 13 72.5 0.3 . . . . . . . 258 THR CB . 25413 1 280 . 1 1 258 258 THR N N 15 119.7 0.5 . . . . . . . 258 THR N . 25413 1 281 . 1 1 259 259 LEU C C 13 174.6 0.3 . . . . . . . 259 LEU C . 25413 1 282 . 1 1 259 259 LEU CA C 13 53.4 0.3 . . . . . . . 259 LEU CA . 25413 1 283 . 1 1 259 259 LEU CB C 13 46 0.3 . . . . . . . 259 LEU CB . 25413 1 284 . 1 1 259 259 LEU N N 15 127.1 0.5 . . . . . . . 259 LEU N . 25413 1 285 . 1 1 260 260 SER C C 13 172.7 0.3 . . . . . . . 260 SER C . 25413 1 286 . 1 1 260 260 SER CA C 13 57.6 0.3 . . . . . . . 260 SER CA . 25413 1 287 . 1 1 260 260 SER CB C 13 66.9 0.3 . . . . . . . 260 SER CB . 25413 1 288 . 1 1 260 260 SER N N 15 113.8 0.5 . . . . . . . 260 SER N . 25413 1 289 . 1 1 261 261 ALA C C 13 173.3 0.3 . . . . . . . 261 ALA C . 25413 1 290 . 1 1 261 261 ALA CA C 13 51.7 0.3 . . . . . . . 261 ALA CA . 25413 1 291 . 1 1 261 261 ALA CB C 13 23.6 0.3 . . . . . . . 261 ALA CB . 25413 1 292 . 1 1 261 261 ALA N N 15 119.8 0.5 . . . . . . . 261 ALA N . 25413 1 293 . 1 1 262 262 LEU C C 13 174.7 0.3 . . . . . . . 262 LEU C . 25413 1 294 . 1 1 262 262 LEU CA C 13 52.9 0.3 . . . . . . . 262 LEU CA . 25413 1 295 . 1 1 262 262 LEU CB C 13 43.2 0.3 . . . . . . . 262 LEU CB . 25413 1 296 . 1 1 262 262 LEU N N 15 124.5 0.5 . . . . . . . 262 LEU N . 25413 1 297 . 1 1 263 263 LEU CA C 13 53.1 0.3 . . . . . . . 263 LEU CA . 25413 1 298 . 1 1 263 263 LEU CB C 13 45 0.3 . . . . . . . 263 LEU CB . 25413 1 299 . 1 1 263 263 LEU N N 15 123.8 0.5 . . . . . . . 263 LEU N . 25413 1 300 . 1 1 274 274 LYS C C 13 174.1 0.3 . . . . . . . 274 LYS C . 25413 1 301 . 1 1 274 274 LYS CA C 13 54.1 0.3 . . . . . . . 274 LYS CA . 25413 1 302 . 1 1 274 274 LYS CB C 13 34 0.3 . . . . . . . 274 LYS CB . 25413 1 303 . 1 1 274 274 LYS N N 15 119.3 0.5 . . . . . . . 274 LYS N . 25413 1 304 . 1 1 275 275 LEU C C 13 175.2 0.3 . . . . . . . 275 LEU C . 25413 1 305 . 1 1 275 275 LEU CA C 13 50.7 0.3 . . . . . . . 275 LEU CA . 25413 1 306 . 1 1 275 275 LEU CB C 13 45.1 0.3 . . . . . . . 275 LEU CB . 25413 1 307 . 1 1 275 275 LEU N N 15 126.9 0.5 . . . . . . . 275 LEU N . 25413 1 308 . 1 1 276 276 GLY C C 13 171.9 0.3 . . . . . . . 276 GLY C . 25413 1 309 . 1 1 276 276 GLY CA C 13 44.9 0.3 . . . . . . . 276 GLY CA . 25413 1 310 . 1 1 276 276 GLY N N 15 108.2 0.5 . . . . . . . 276 GLY N . 25413 1 311 . 1 1 277 277 LEU C C 13 175.9 0.3 . . . . . . . 277 LEU C . 25413 1 312 . 1 1 277 277 LEU CA C 13 52.4 0.3 . . . . . . . 277 LEU CA . 25413 1 313 . 1 1 277 277 LEU CB C 13 44.4 0.3 . . . . . . . 277 LEU CB . 25413 1 314 . 1 1 277 277 LEU CD1 C 13 26.6 0.3 . . . . . . . 277 LEU CD . 25413 1 315 . 1 1 277 277 LEU CD2 C 13 26.6 0.3 . . . . . . . 277 LEU CD . 25413 1 316 . 1 1 277 277 LEU N N 15 124.7 0.5 . . . . . . . 277 LEU N . 25413 1 317 . 1 1 278 278 GLY C C 13 171.7 0.3 . . . . . . . 278 GLY C . 25413 1 318 . 1 1 278 278 GLY CA C 13 45 0.3 . . . . . . . 278 GLY CA . 25413 1 319 . 1 1 278 278 GLY N N 15 107 0.5 . . . . . . . 278 GLY N . 25413 1 320 . 1 1 279 279 LEU C C 13 174.3 0.3 . . . . . . . 279 LEU C . 25413 1 321 . 1 1 279 279 LEU CA C 13 54.1 0.3 . . . . . . . 279 LEU CA . 25413 1 322 . 1 1 279 279 LEU CB C 13 46.7 0.3 . . . . . . . 279 LEU CB . 25413 1 323 . 1 1 279 279 LEU N N 15 120.7 0.5 . . . . . . . 279 LEU N . 25413 1 324 . 1 1 280 280 GLU C C 13 177.6 0.3 . . . . . . . 280 GLU C . 25413 1 325 . 1 1 280 280 GLU CA C 13 53.7 0.3 . . . . . . . 280 GLU CA . 25413 1 326 . 1 1 280 280 GLU CB C 13 30.4 0.3 . . . . . . . 280 GLU CB . 25413 1 327 . 1 1 280 280 GLU N N 15 124.6 0.5 . . . . . . . 280 GLU N . 25413 1 stop_ save_