data_27589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27589 _Entry.Title ; Assignment of crystalline E.coli asparaginase II (ANSII) by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-24 _Entry.Accession_date 2018-08-24 _Entry.Last_release_date 2018-08-24 _Entry.Original_release_date 2018-08-24 _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 . _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 Linda Cerofolini . . . . 27589 2 Stefano Giuntini . . . . 27589 3 Azzurra Carlon . . . . 27589 4 Enrico Ravera . . . . 27589 5 Vito Calderone . . . . 27589 6 Marco Fragai . . . . 27589 7 Giacomo Parigi . . . . 27589 8 Claudio Luchinat . . . . 27589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 676 27589 '15N chemical shifts' 198 27589 '1H chemical shifts' 195 27589 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-02-18 2018-08-24 update BMRB 'update entry citation' 27589 1 . . 2018-11-28 2018-08-24 original author 'original release' 27589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27588 'E.coli asparaginase (ANSII) by solution NMR' 27589 BMRB 27590 'pegylated E.coli asparaginase II (ANSII) by solid-state NMR' 27589 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27589 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30462348 _Citation.Full_citation . _Citation.Title ; Characterization of PEGylated asparaginase: new opportunities from NMR analysis of large pegylated therapeutics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full 'Chemistry (Weinheim an der Bergstrasse, Germany)' _Citation.Journal_volume 25 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3765 _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 1984 _Citation.Page_last 1991 _Citation.Year 2019 _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 Linda Cerofolini . . . . 27589 1 2 Stefano Giuntini . . . . 27589 1 3 Azzurra Carlon . . . . 27589 1 4 Enrico Ravera . . . . 27589 1 5 Vito Calderone . . . . 27589 1 6 Marco Fragai . . . . 27589 1 7 Giacomo Parigi . . . . 27589 1 8 Claudio Luchinat . . . . 27589 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Asparaginase II' 27589 1 NMR 27589 1 'PEGylated protein therapeutics' 27589 1 'stealth biologics' 27589 1 'structural characterization' 27589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27589 _Assembly.ID 1 _Assembly.Name 'ANSII homotetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 138000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Homotetramer with D2 symmetry' _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 'ANSII, chain A' 1 $ANSII A . yes native no no . . . 27589 1 2 'ANSII, chain B' 1 $ANSII B . yes native no no . . . 27589 1 3 'ANSII, chain C' 1 $ANSII C . yes native no no . . . 27589 1 4 'ANSII, chain D' 1 $ANSII D . yes native no no . . . 27589 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . . . 27589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ANSII _Entity.Sf_category entity _Entity.Sf_framecode ANSII _Entity.Entry_ID 27589 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ANSII _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 ; LPNITILATGGTIAGGGDSA TKSNYTVGKVGVENLVNAVP QLKDIANVKGEQVVNIGSQD MNDNVWLTLAKKINTDCDKT DGFVITHGTDTMEETAYFLD LTVKCDKPVVMVGAMRPSTS MSADGPFNLYNAVVTAADKA SANRGVLVVMNDTVLDGRDV TKTNTTDVATFKSVNYGPLG YIHNGKIDYQRTPARKHTSD TPFDVSKLNELPKVGIVYNY ANASDLPAKALVDAGYDGIV SAGVGNGNLYKSVFDTLATA AKTGTAVVRSSRVPTGATTQ DAEVDDAKYGFVASGTLNPQ KARVLLQLALTQTKDPQQIQ QIFNQY ; _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 326 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 23 LEU . 27589 1 2 24 PRO . 27589 1 3 25 ASN . 27589 1 4 26 ILE . 27589 1 5 27 THR . 27589 1 6 28 ILE . 27589 1 7 29 LEU . 27589 1 8 30 ALA . 27589 1 9 31 THR . 27589 1 10 32 GLY . 27589 1 11 33 GLY . 27589 1 12 34 THR . 27589 1 13 35 ILE . 27589 1 14 36 ALA . 27589 1 15 37 GLY . 27589 1 16 38 GLY . 27589 1 17 39 GLY . 27589 1 18 40 ASP . 27589 1 19 41 SER . 27589 1 20 42 ALA . 27589 1 21 43 THR . 27589 1 22 44 LYS . 27589 1 23 45 SER . 27589 1 24 46 ASN . 27589 1 25 47 TYR . 27589 1 26 48 THR . 27589 1 27 49 VAL . 27589 1 28 50 GLY . 27589 1 29 51 LYS . 27589 1 30 52 VAL . 27589 1 31 53 GLY . 27589 1 32 54 VAL . 27589 1 33 55 GLU . 27589 1 34 56 ASN . 27589 1 35 57 LEU . 27589 1 36 58 VAL . 27589 1 37 59 ASN . 27589 1 38 60 ALA . 27589 1 39 61 VAL . 27589 1 40 62 PRO . 27589 1 41 63 GLN . 27589 1 42 64 LEU . 27589 1 43 65 LYS . 27589 1 44 66 ASP . 27589 1 45 67 ILE . 27589 1 46 68 ALA . 27589 1 47 69 ASN . 27589 1 48 70 VAL . 27589 1 49 71 LYS . 27589 1 50 72 GLY . 27589 1 51 73 GLU . 27589 1 52 74 GLN . 27589 1 53 75 VAL . 27589 1 54 76 VAL . 27589 1 55 77 ASN . 27589 1 56 78 ILE . 27589 1 57 79 GLY . 27589 1 58 80 SER . 27589 1 59 81 GLN . 27589 1 60 82 ASP . 27589 1 61 83 MET . 27589 1 62 84 ASN . 27589 1 63 85 ASP . 27589 1 64 86 ASN . 27589 1 65 87 VAL . 27589 1 66 88 TRP . 27589 1 67 89 LEU . 27589 1 68 90 THR . 27589 1 69 91 LEU . 27589 1 70 92 ALA . 27589 1 71 93 LYS . 27589 1 72 94 LYS . 27589 1 73 95 ILE . 27589 1 74 96 ASN . 27589 1 75 97 THR . 27589 1 76 98 ASP . 27589 1 77 99 CYS . 27589 1 78 100 ASP . 27589 1 79 101 LYS . 27589 1 80 102 THR . 27589 1 81 103 ASP . 27589 1 82 104 GLY . 27589 1 83 105 PHE . 27589 1 84 106 VAL . 27589 1 85 107 ILE . 27589 1 86 108 THR . 27589 1 87 109 HIS . 27589 1 88 110 GLY . 27589 1 89 111 THR . 27589 1 90 112 ASP . 27589 1 91 113 THR . 27589 1 92 114 MET . 27589 1 93 115 GLU . 27589 1 94 116 GLU . 27589 1 95 117 THR . 27589 1 96 118 ALA . 27589 1 97 119 TYR . 27589 1 98 120 PHE . 27589 1 99 121 LEU . 27589 1 100 122 ASP . 27589 1 101 123 LEU . 27589 1 102 124 THR . 27589 1 103 125 VAL . 27589 1 104 126 LYS . 27589 1 105 127 CYS . 27589 1 106 128 ASP . 27589 1 107 129 LYS . 27589 1 108 130 PRO . 27589 1 109 131 VAL . 27589 1 110 132 VAL . 27589 1 111 133 MET . 27589 1 112 134 VAL . 27589 1 113 135 GLY . 27589 1 114 136 ALA . 27589 1 115 137 MET . 27589 1 116 138 ARG . 27589 1 117 139 PRO . 27589 1 118 140 SER . 27589 1 119 141 THR . 27589 1 120 142 SER . 27589 1 121 143 MET . 27589 1 122 144 SER . 27589 1 123 145 ALA . 27589 1 124 146 ASP . 27589 1 125 147 GLY . 27589 1 126 148 PRO . 27589 1 127 149 PHE . 27589 1 128 150 ASN . 27589 1 129 151 LEU . 27589 1 130 152 TYR . 27589 1 131 153 ASN . 27589 1 132 154 ALA . 27589 1 133 155 VAL . 27589 1 134 156 VAL . 27589 1 135 157 THR . 27589 1 136 158 ALA . 27589 1 137 159 ALA . 27589 1 138 160 ASP . 27589 1 139 161 LYS . 27589 1 140 162 ALA . 27589 1 141 163 SER . 27589 1 142 164 ALA . 27589 1 143 165 ASN . 27589 1 144 166 ARG . 27589 1 145 167 GLY . 27589 1 146 168 VAL . 27589 1 147 169 LEU . 27589 1 148 170 VAL . 27589 1 149 171 VAL . 27589 1 150 172 MET . 27589 1 151 173 ASN . 27589 1 152 174 ASP . 27589 1 153 175 THR . 27589 1 154 176 VAL . 27589 1 155 177 LEU . 27589 1 156 178 ASP . 27589 1 157 179 GLY . 27589 1 158 180 ARG . 27589 1 159 181 ASP . 27589 1 160 182 VAL . 27589 1 161 183 THR . 27589 1 162 184 LYS . 27589 1 163 185 THR . 27589 1 164 186 ASN . 27589 1 165 187 THR . 27589 1 166 188 THR . 27589 1 167 189 ASP . 27589 1 168 190 VAL . 27589 1 169 191 ALA . 27589 1 170 192 THR . 27589 1 171 193 PHE . 27589 1 172 194 LYS . 27589 1 173 195 SER . 27589 1 174 196 VAL . 27589 1 175 197 ASN . 27589 1 176 198 TYR . 27589 1 177 199 GLY . 27589 1 178 200 PRO . 27589 1 179 201 LEU . 27589 1 180 202 GLY . 27589 1 181 203 TYR . 27589 1 182 204 ILE . 27589 1 183 205 HIS . 27589 1 184 206 ASN . 27589 1 185 207 GLY . 27589 1 186 208 LYS . 27589 1 187 209 ILE . 27589 1 188 210 ASP . 27589 1 189 211 TYR . 27589 1 190 212 GLN . 27589 1 191 213 ARG . 27589 1 192 214 THR . 27589 1 193 215 PRO . 27589 1 194 216 ALA . 27589 1 195 217 ARG . 27589 1 196 218 LYS . 27589 1 197 219 HIS . 27589 1 198 220 THR . 27589 1 199 221 SER . 27589 1 200 222 ASP . 27589 1 201 223 THR . 27589 1 202 224 PRO . 27589 1 203 225 PHE . 27589 1 204 226 ASP . 27589 1 205 227 VAL . 27589 1 206 228 SER . 27589 1 207 229 LYS . 27589 1 208 230 LEU . 27589 1 209 231 ASN . 27589 1 210 232 GLU . 27589 1 211 233 LEU . 27589 1 212 234 PRO . 27589 1 213 235 LYS . 27589 1 214 236 VAL . 27589 1 215 237 GLY . 27589 1 216 238 ILE . 27589 1 217 239 VAL . 27589 1 218 240 TYR . 27589 1 219 241 ASN . 27589 1 220 242 TYR . 27589 1 221 243 ALA . 27589 1 222 244 ASN . 27589 1 223 245 ALA . 27589 1 224 246 SER . 27589 1 225 247 ASP . 27589 1 226 248 LEU . 27589 1 227 249 PRO . 27589 1 228 250 ALA . 27589 1 229 251 LYS . 27589 1 230 252 ALA . 27589 1 231 253 LEU . 27589 1 232 254 VAL . 27589 1 233 255 ASP . 27589 1 234 256 ALA . 27589 1 235 257 GLY . 27589 1 236 258 TYR . 27589 1 237 259 ASP . 27589 1 238 260 GLY . 27589 1 239 261 ILE . 27589 1 240 262 VAL . 27589 1 241 263 SER . 27589 1 242 264 ALA . 27589 1 243 265 GLY . 27589 1 244 266 VAL . 27589 1 245 267 GLY . 27589 1 246 268 ASN . 27589 1 247 269 GLY . 27589 1 248 270 ASN . 27589 1 249 271 LEU . 27589 1 250 272 TYR . 27589 1 251 273 LYS . 27589 1 252 274 SER . 27589 1 253 275 VAL . 27589 1 254 276 PHE . 27589 1 255 277 ASP . 27589 1 256 278 THR . 27589 1 257 279 LEU . 27589 1 258 280 ALA . 27589 1 259 281 THR . 27589 1 260 282 ALA . 27589 1 261 283 ALA . 27589 1 262 284 LYS . 27589 1 263 285 THR . 27589 1 264 286 GLY . 27589 1 265 287 THR . 27589 1 266 288 ALA . 27589 1 267 289 VAL . 27589 1 268 290 VAL . 27589 1 269 291 ARG . 27589 1 270 292 SER . 27589 1 271 293 SER . 27589 1 272 294 ARG . 27589 1 273 295 VAL . 27589 1 274 296 PRO . 27589 1 275 297 THR . 27589 1 276 298 GLY . 27589 1 277 299 ALA . 27589 1 278 300 THR . 27589 1 279 301 THR . 27589 1 280 302 GLN . 27589 1 281 303 ASP . 27589 1 282 304 ALA . 27589 1 283 305 GLU . 27589 1 284 306 VAL . 27589 1 285 307 ASP . 27589 1 286 308 ASP . 27589 1 287 309 ALA . 27589 1 288 310 LYS . 27589 1 289 311 TYR . 27589 1 290 312 GLY . 27589 1 291 313 PHE . 27589 1 292 314 VAL . 27589 1 293 315 ALA . 27589 1 294 316 SER . 27589 1 295 317 GLY . 27589 1 296 318 THR . 27589 1 297 319 LEU . 27589 1 298 320 ASN . 27589 1 299 321 PRO . 27589 1 300 322 GLN . 27589 1 301 323 LYS . 27589 1 302 324 ALA . 27589 1 303 325 ARG . 27589 1 304 326 VAL . 27589 1 305 327 LEU . 27589 1 306 328 LEU . 27589 1 307 329 GLN . 27589 1 308 330 LEU . 27589 1 309 331 ALA . 27589 1 310 332 LEU . 27589 1 311 333 THR . 27589 1 312 334 GLN . 27589 1 313 335 THR . 27589 1 314 336 LYS . 27589 1 315 337 ASP . 27589 1 316 338 PRO . 27589 1 317 339 GLN . 27589 1 318 340 GLN . 27589 1 319 341 ILE . 27589 1 320 342 GLN . 27589 1 321 343 GLN . 27589 1 322 344 ILE . 27589 1 323 345 PHE . 27589 1 324 346 ASN . 27589 1 325 347 GLN . 27589 1 326 348 TYR . 27589 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 . LEU 1 1 27589 1 . PRO 2 2 27589 1 . ASN 3 3 27589 1 . ILE 4 4 27589 1 . THR 5 5 27589 1 . ILE 6 6 27589 1 . LEU 7 7 27589 1 . ALA 8 8 27589 1 . THR 9 9 27589 1 . GLY 10 10 27589 1 . GLY 11 11 27589 1 . THR 12 12 27589 1 . ILE 13 13 27589 1 . ALA 14 14 27589 1 . GLY 15 15 27589 1 . GLY 16 16 27589 1 . GLY 17 17 27589 1 . ASP 18 18 27589 1 . SER 19 19 27589 1 . ALA 20 20 27589 1 . THR 21 21 27589 1 . LYS 22 22 27589 1 . SER 23 23 27589 1 . ASN 24 24 27589 1 . TYR 25 25 27589 1 . THR 26 26 27589 1 . VAL 27 27 27589 1 . GLY 28 28 27589 1 . LYS 29 29 27589 1 . VAL 30 30 27589 1 . GLY 31 31 27589 1 . VAL 32 32 27589 1 . GLU 33 33 27589 1 . ASN 34 34 27589 1 . LEU 35 35 27589 1 . VAL 36 36 27589 1 . ASN 37 37 27589 1 . ALA 38 38 27589 1 . VAL 39 39 27589 1 . PRO 40 40 27589 1 . GLN 41 41 27589 1 . LEU 42 42 27589 1 . LYS 43 43 27589 1 . ASP 44 44 27589 1 . ILE 45 45 27589 1 . ALA 46 46 27589 1 . ASN 47 47 27589 1 . VAL 48 48 27589 1 . LYS 49 49 27589 1 . GLY 50 50 27589 1 . GLU 51 51 27589 1 . GLN 52 52 27589 1 . VAL 53 53 27589 1 . VAL 54 54 27589 1 . ASN 55 55 27589 1 . ILE 56 56 27589 1 . GLY 57 57 27589 1 . SER 58 58 27589 1 . GLN 59 59 27589 1 . ASP 60 60 27589 1 . MET 61 61 27589 1 . ASN 62 62 27589 1 . ASP 63 63 27589 1 . ASN 64 64 27589 1 . VAL 65 65 27589 1 . TRP 66 66 27589 1 . LEU 67 67 27589 1 . THR 68 68 27589 1 . LEU 69 69 27589 1 . ALA 70 70 27589 1 . LYS 71 71 27589 1 . LYS 72 72 27589 1 . ILE 73 73 27589 1 . ASN 74 74 27589 1 . THR 75 75 27589 1 . ASP 76 76 27589 1 . CYS 77 77 27589 1 . ASP 78 78 27589 1 . LYS 79 79 27589 1 . THR 80 80 27589 1 . ASP 81 81 27589 1 . GLY 82 82 27589 1 . PHE 83 83 27589 1 . VAL 84 84 27589 1 . ILE 85 85 27589 1 . THR 86 86 27589 1 . HIS 87 87 27589 1 . GLY 88 88 27589 1 . THR 89 89 27589 1 . ASP 90 90 27589 1 . THR 91 91 27589 1 . MET 92 92 27589 1 . GLU 93 93 27589 1 . GLU 94 94 27589 1 . THR 95 95 27589 1 . ALA 96 96 27589 1 . TYR 97 97 27589 1 . PHE 98 98 27589 1 . LEU 99 99 27589 1 . ASP 100 100 27589 1 . LEU 101 101 27589 1 . THR 102 102 27589 1 . VAL 103 103 27589 1 . LYS 104 104 27589 1 . CYS 105 105 27589 1 . ASP 106 106 27589 1 . LYS 107 107 27589 1 . PRO 108 108 27589 1 . VAL 109 109 27589 1 . VAL 110 110 27589 1 . MET 111 111 27589 1 . VAL 112 112 27589 1 . GLY 113 113 27589 1 . ALA 114 114 27589 1 . MET 115 115 27589 1 . ARG 116 116 27589 1 . PRO 117 117 27589 1 . SER 118 118 27589 1 . THR 119 119 27589 1 . SER 120 120 27589 1 . MET 121 121 27589 1 . SER 122 122 27589 1 . ALA 123 123 27589 1 . ASP 124 124 27589 1 . GLY 125 125 27589 1 . PRO 126 126 27589 1 . PHE 127 127 27589 1 . ASN 128 128 27589 1 . LEU 129 129 27589 1 . TYR 130 130 27589 1 . ASN 131 131 27589 1 . ALA 132 132 27589 1 . VAL 133 133 27589 1 . VAL 134 134 27589 1 . THR 135 135 27589 1 . ALA 136 136 27589 1 . ALA 137 137 27589 1 . ASP 138 138 27589 1 . LYS 139 139 27589 1 . ALA 140 140 27589 1 . SER 141 141 27589 1 . ALA 142 142 27589 1 . ASN 143 143 27589 1 . ARG 144 144 27589 1 . GLY 145 145 27589 1 . VAL 146 146 27589 1 . LEU 147 147 27589 1 . VAL 148 148 27589 1 . VAL 149 149 27589 1 . MET 150 150 27589 1 . ASN 151 151 27589 1 . ASP 152 152 27589 1 . THR 153 153 27589 1 . VAL 154 154 27589 1 . LEU 155 155 27589 1 . ASP 156 156 27589 1 . GLY 157 157 27589 1 . ARG 158 158 27589 1 . ASP 159 159 27589 1 . VAL 160 160 27589 1 . THR 161 161 27589 1 . LYS 162 162 27589 1 . THR 163 163 27589 1 . ASN 164 164 27589 1 . THR 165 165 27589 1 . THR 166 166 27589 1 . ASP 167 167 27589 1 . VAL 168 168 27589 1 . ALA 169 169 27589 1 . THR 170 170 27589 1 . PHE 171 171 27589 1 . LYS 172 172 27589 1 . SER 173 173 27589 1 . VAL 174 174 27589 1 . ASN 175 175 27589 1 . TYR 176 176 27589 1 . GLY 177 177 27589 1 . PRO 178 178 27589 1 . LEU 179 179 27589 1 . GLY 180 180 27589 1 . TYR 181 181 27589 1 . ILE 182 182 27589 1 . HIS 183 183 27589 1 . ASN 184 184 27589 1 . GLY 185 185 27589 1 . LYS 186 186 27589 1 . ILE 187 187 27589 1 . ASP 188 188 27589 1 . TYR 189 189 27589 1 . GLN 190 190 27589 1 . ARG 191 191 27589 1 . THR 192 192 27589 1 . PRO 193 193 27589 1 . ALA 194 194 27589 1 . ARG 195 195 27589 1 . LYS 196 196 27589 1 . HIS 197 197 27589 1 . THR 198 198 27589 1 . SER 199 199 27589 1 . ASP 200 200 27589 1 . THR 201 201 27589 1 . PRO 202 202 27589 1 . PHE 203 203 27589 1 . ASP 204 204 27589 1 . VAL 205 205 27589 1 . SER 206 206 27589 1 . LYS 207 207 27589 1 . LEU 208 208 27589 1 . ASN 209 209 27589 1 . GLU 210 210 27589 1 . LEU 211 211 27589 1 . PRO 212 212 27589 1 . LYS 213 213 27589 1 . VAL 214 214 27589 1 . GLY 215 215 27589 1 . ILE 216 216 27589 1 . VAL 217 217 27589 1 . TYR 218 218 27589 1 . ASN 219 219 27589 1 . TYR 220 220 27589 1 . ALA 221 221 27589 1 . ASN 222 222 27589 1 . ALA 223 223 27589 1 . SER 224 224 27589 1 . ASP 225 225 27589 1 . LEU 226 226 27589 1 . PRO 227 227 27589 1 . ALA 228 228 27589 1 . LYS 229 229 27589 1 . ALA 230 230 27589 1 . LEU 231 231 27589 1 . VAL 232 232 27589 1 . ASP 233 233 27589 1 . ALA 234 234 27589 1 . GLY 235 235 27589 1 . TYR 236 236 27589 1 . ASP 237 237 27589 1 . GLY 238 238 27589 1 . ILE 239 239 27589 1 . VAL 240 240 27589 1 . SER 241 241 27589 1 . ALA 242 242 27589 1 . GLY 243 243 27589 1 . VAL 244 244 27589 1 . GLY 245 245 27589 1 . ASN 246 246 27589 1 . GLY 247 247 27589 1 . ASN 248 248 27589 1 . LEU 249 249 27589 1 . TYR 250 250 27589 1 . LYS 251 251 27589 1 . SER 252 252 27589 1 . VAL 253 253 27589 1 . PHE 254 254 27589 1 . ASP 255 255 27589 1 . THR 256 256 27589 1 . LEU 257 257 27589 1 . ALA 258 258 27589 1 . THR 259 259 27589 1 . ALA 260 260 27589 1 . ALA 261 261 27589 1 . LYS 262 262 27589 1 . THR 263 263 27589 1 . GLY 264 264 27589 1 . THR 265 265 27589 1 . ALA 266 266 27589 1 . VAL 267 267 27589 1 . VAL 268 268 27589 1 . ARG 269 269 27589 1 . SER 270 270 27589 1 . SER 271 271 27589 1 . ARG 272 272 27589 1 . VAL 273 273 27589 1 . PRO 274 274 27589 1 . THR 275 275 27589 1 . GLY 276 276 27589 1 . ALA 277 277 27589 1 . THR 278 278 27589 1 . THR 279 279 27589 1 . GLN 280 280 27589 1 . ASP 281 281 27589 1 . ALA 282 282 27589 1 . GLU 283 283 27589 1 . VAL 284 284 27589 1 . ASP 285 285 27589 1 . ASP 286 286 27589 1 . ALA 287 287 27589 1 . LYS 288 288 27589 1 . TYR 289 289 27589 1 . GLY 290 290 27589 1 . PHE 291 291 27589 1 . VAL 292 292 27589 1 . ALA 293 293 27589 1 . SER 294 294 27589 1 . GLY 295 295 27589 1 . THR 296 296 27589 1 . LEU 297 297 27589 1 . ASN 298 298 27589 1 . PRO 299 299 27589 1 . GLN 300 300 27589 1 . LYS 301 301 27589 1 . ALA 302 302 27589 1 . ARG 303 303 27589 1 . VAL 304 304 27589 1 . LEU 305 305 27589 1 . LEU 306 306 27589 1 . GLN 307 307 27589 1 . LEU 308 308 27589 1 . ALA 309 309 27589 1 . LEU 310 310 27589 1 . THR 311 311 27589 1 . GLN 312 312 27589 1 . THR 313 313 27589 1 . LYS 314 314 27589 1 . ASP 315 315 27589 1 . PRO 316 316 27589 1 . GLN 317 317 27589 1 . GLN 318 318 27589 1 . ILE 319 319 27589 1 . GLN 320 320 27589 1 . GLN 321 321 27589 1 . ILE 322 322 27589 1 . PHE 323 323 27589 1 . ASN 324 324 27589 1 . GLN 325 325 27589 1 . TYR 326 326 27589 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 27589 _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 $ANSII . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27589 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 27589 _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 $ANSII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a . . . 27589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27589 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'Crystalline preparation of ANSII' _Sample.Aggregate_sample_number . _Sample.Solvent_system solid _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 ANSII '[U-100% 2H; U-100% 13C; U-100% 15N]' . . 1 $ANSII . . 2 . . mg . . . . 27589 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27589 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'Freeze-dried ANSII' _Sample.Aggregate_sample_number . _Sample.Solvent_system solid _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 ANSII '[U-100% 2H; Lys U-100% 1H, 13C, 15N]' . . 1 $ANSII . . 10 . . mg . . . . 27589 2 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 27589 _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 27589 1 pH 7.5 . pH 27589 1 pressure 1 . atm 27589 1 temperature 280 . K 27589 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27589 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27589 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27589 1 processing 27589 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27589 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27589 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27589 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27589 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27589 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27589 3 'data analysis' 27589 3 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 27589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AvanceII wide-bore' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27589 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AvanceIII narrow-bore' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27589 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'AvanceII wide-bore' . 850 . . . 27589 1 2 spectrometer_2 Bruker 'AvanceIII narrow-bore' . 800 . . . 27589 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 27589 _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 '2D 1H-15N CP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 2 '3D (H)CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 3 '3D (H)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 4 '3D (H)CANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 5 '3D (H)CA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 6 '3D (H)(CA)CB(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 7 '3D (H)(CA)CB(CACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 8 '2D 13C-15N NCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 9 '2D 13C-13C DARR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 1 10 '3D NCACX' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27589 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 27589 _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 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 27589 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 27589 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 27589 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 27589 _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 '2D 1H-15N CP-HSQC' . . . 27589 1 2 '3D (H)CONH' . . . 27589 1 3 '3D (H)CO(CA)NH' . . . 27589 1 4 '3D (H)CANH' . . . 27589 1 5 '3D (H)CA(CO)NH' . . . 27589 1 6 '3D (H)(CA)CB(CA)NH' . . . 27589 1 7 '3D (H)(CA)CB(CACO)NH' . . . 27589 1 8 '2D 13C-15N NCA' . . . 27589 1 9 '2D 13C-13C DARR' . . . 27589 1 10 '3D NCACX' . . . 27589 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 3 3 ASN H H 1 9.868 0.020 . 1 . . . . . 25 ASN H . 27589 1 2 . 1 1 3 3 ASN C C 13 172.530 0.3 . 1 . . . . . 25 ASN C . 27589 1 3 . 1 1 3 3 ASN CA C 13 51.958 0.3 . 1 . . . . . 25 ASN CA . 27589 1 4 . 1 1 3 3 ASN CB C 13 39.116 0.3 . 1 . . . . . 25 ASN CB . 27589 1 5 . 1 1 3 3 ASN N N 15 122.858 0.3 . 1 . . . . . 25 ASN N . 27589 1 6 . 1 1 4 4 ILE H H 1 8.180 0.020 . 1 . . . . . 26 ILE H . 27589 1 7 . 1 1 4 4 ILE C C 13 173.892 0.3 . 1 . . . . . 26 ILE C . 27589 1 8 . 1 1 4 4 ILE CA C 13 55.690 0.3 . 1 . . . . . 26 ILE CA . 27589 1 9 . 1 1 4 4 ILE CB C 13 38.509 0.3 . 1 . . . . . 26 ILE CB . 27589 1 10 . 1 1 4 4 ILE CD1 C 13 8.226 0.3 . 1 . . . . . 26 ILE CD1 . 27589 1 11 . 1 1 4 4 ILE N N 15 123.895 0.3 . 1 . . . . . 26 ILE N . 27589 1 12 . 1 1 6 6 ILE H H 1 9.353 0.020 . 1 . . . . . 28 ILE H . 27589 1 13 . 1 1 6 6 ILE C C 13 174.008 0.3 . 1 . . . . . 28 ILE C . 27589 1 14 . 1 1 6 6 ILE CA C 13 58.912 0.3 . 1 . . . . . 28 ILE CA . 27589 1 15 . 1 1 6 6 ILE CB C 13 37.875 0.3 . 1 . . . . . 28 ILE CB . 27589 1 16 . 1 1 6 6 ILE CG1 C 13 26.440 0.3 . 1 . . . . . 28 ILE CG1 . 27589 1 17 . 1 1 6 6 ILE CG2 C 13 16.510 0.3 . 1 . . . . . 28 ILE CG2 . 27589 1 18 . 1 1 6 6 ILE CD1 C 13 12.446 0.3 . 1 . . . . . 28 ILE CD1 . 27589 1 19 . 1 1 6 6 ILE N N 15 128.204 0.3 . 1 . . . . . 28 ILE N . 27589 1 20 . 1 1 8 8 ALA H H 1 8.768 0.020 . 1 . . . . . 30 ALA H . 27589 1 21 . 1 1 8 8 ALA C C 13 178.311 0.3 . 1 . . . . . 30 ALA C . 27589 1 22 . 1 1 8 8 ALA CA C 13 50.665 0.3 . 1 . . . . . 30 ALA CA . 27589 1 23 . 1 1 8 8 ALA CB C 13 21.224 0.3 . 1 . . . . . 30 ALA CB . 27589 1 24 . 1 1 8 8 ALA N N 15 125.387 0.3 . 1 . . . . . 30 ALA N . 27589 1 25 . 1 1 9 9 THR H H 1 7.324 0.020 . 1 . . . . . 31 THR H . 27589 1 26 . 1 1 9 9 THR C C 13 177.724 0.3 . 1 . . . . . 31 THR C . 27589 1 27 . 1 1 9 9 THR CA C 13 60.641 0.3 . 1 . . . . . 31 THR CA . 27589 1 28 . 1 1 9 9 THR CB C 13 70.295 0.3 . 1 . . . . . 31 THR CB . 27589 1 29 . 1 1 9 9 THR N N 15 107.534 0.3 . 1 . . . . . 31 THR N . 27589 1 30 . 1 1 35 35 LEU H H 1 7.539 0.020 . 1 . . . . . 57 LEU H . 27589 1 31 . 1 1 35 35 LEU C C 13 176.902 0.3 . 1 . . . . . 57 LEU C . 27589 1 32 . 1 1 35 35 LEU CA C 13 57.813 0.3 . 1 . . . . . 57 LEU CA . 27589 1 33 . 1 1 35 35 LEU CB C 13 40.960 0.3 . 1 . . . . . 57 LEU CB . 27589 1 34 . 1 1 35 35 LEU N N 15 122.300 0.3 . 1 . . . . . 57 LEU N . 27589 1 35 . 1 1 36 36 VAL H H 1 7.619 0.020 . 1 . . . . . 58 VAL H . 27589 1 36 . 1 1 36 36 VAL C C 13 176.440 0.3 . 1 . . . . . 58 VAL C . 27589 1 37 . 1 1 36 36 VAL CA C 13 64.269 0.3 . 1 . . . . . 58 VAL CA . 27589 1 38 . 1 1 36 36 VAL CB C 13 30.248 0.3 . 1 . . . . . 58 VAL CB . 27589 1 39 . 1 1 36 36 VAL N N 15 113.306 0.3 . 1 . . . . . 58 VAL N . 27589 1 40 . 1 1 37 37 ASN H H 1 7.551 0.020 . 1 . . . . . 59 ASN H . 27589 1 41 . 1 1 37 37 ASN C C 13 176.271 0.3 . 1 . . . . . 59 ASN C . 27589 1 42 . 1 1 37 37 ASN CA C 13 55.085 0.3 . 1 . . . . . 59 ASN CA . 27589 1 43 . 1 1 37 37 ASN CB C 13 38.675 0.3 . 1 . . . . . 59 ASN CB . 27589 1 44 . 1 1 37 37 ASN N N 15 116.782 0.3 . 1 . . . . . 59 ASN N . 27589 1 45 . 1 1 38 38 ALA H H 1 7.421 0.020 . 1 . . . . . 60 ALA H . 27589 1 46 . 1 1 38 38 ALA C C 13 177.561 0.3 . 1 . . . . . 60 ALA C . 27589 1 47 . 1 1 38 38 ALA CA C 13 53.856 0.3 . 1 . . . . . 60 ALA CA . 27589 1 48 . 1 1 38 38 ALA CB C 13 17.772 0.3 . 1 . . . . . 60 ALA CB . 27589 1 49 . 1 1 38 38 ALA N N 15 120.945 0.3 . 1 . . . . . 60 ALA N . 27589 1 50 . 1 1 39 39 VAL H H 1 7.446 0.020 . 1 . . . . . 61 VAL H . 27589 1 51 . 1 1 39 39 VAL C C 13 177.291 0.3 . 1 . . . . . 61 VAL C . 27589 1 52 . 1 1 39 39 VAL CA C 13 58.652 0.3 . 1 . . . . . 61 VAL CA . 27589 1 53 . 1 1 39 39 VAL CB C 13 31.567 0.3 . 1 . . . . . 61 VAL CB . 27589 1 54 . 1 1 39 39 VAL N N 15 117.639 0.3 . 1 . . . . . 61 VAL N . 27589 1 55 . 1 1 40 40 PRO C C 13 179.150 0.3 . 1 . . . . . 62 PRO C . 27589 1 56 . 1 1 40 40 PRO CA C 13 64.487 0.3 . 1 . . . . . 62 PRO CA . 27589 1 57 . 1 1 40 40 PRO CB C 13 30.512 0.3 . 1 . . . . . 62 PRO CB . 27589 1 58 . 1 1 40 40 PRO CG C 13 22.725 0.3 . 1 . . . . . 62 PRO CG . 27589 1 59 . 1 1 40 40 PRO CD C 13 49.814 0.3 . 1 . . . . . 62 PRO CD . 27589 1 60 . 1 1 40 40 PRO N N 15 136.340 0.3 . 1 . . . . . 62 PRO N . 27589 1 61 . 1 1 41 41 GLN H H 1 9.266 0.020 . 1 . . . . . 63 GLN H . 27589 1 62 . 1 1 41 41 GLN C C 13 177.816 0.3 . 1 . . . . . 63 GLN C . 27589 1 63 . 1 1 41 41 GLN CA C 13 58.756 0.3 . 1 . . . . . 63 GLN CA . 27589 1 64 . 1 1 41 41 GLN CB C 13 26.611 0.3 . 1 . . . . . 63 GLN CB . 27589 1 65 . 1 1 41 41 GLN CG C 13 34.054 0.3 . 1 . . . . . 63 GLN CG . 27589 1 66 . 1 1 41 41 GLN CD C 13 180.716 0.3 . 1 . . . . . 63 GLN CD . 27589 1 67 . 1 1 41 41 GLN N N 15 119.185 0.3 . 1 . . . . . 63 GLN N . 27589 1 68 . 1 1 42 42 LEU H H 1 8.285 0.020 . 1 . . . . . 64 LEU H . 27589 1 69 . 1 1 42 42 LEU C C 13 177.811 0.3 . 1 . . . . . 64 LEU C . 27589 1 70 . 1 1 42 42 LEU CA C 13 57.511 0.3 . 1 . . . . . 64 LEU CA . 27589 1 71 . 1 1 42 42 LEU CB C 13 41.685 0.3 . 1 . . . . . 64 LEU CB . 27589 1 72 . 1 1 42 42 LEU N N 15 117.827 0.3 . 1 . . . . . 64 LEU N . 27589 1 73 . 1 1 43 43 LYS H H 1 7.470 0.020 . 1 . . . . . 65 LYS H . 27589 1 74 . 1 1 43 43 LYS C C 13 175.952 0.3 . 1 . . . . . 65 LYS C . 27589 1 75 . 1 1 43 43 LYS CA C 13 57.405 0.3 . 1 . . . . . 65 LYS CA . 27589 1 76 . 1 1 43 43 LYS CB C 13 31.685 0.3 . 1 . . . . . 65 LYS CB . 27589 1 77 . 1 1 43 43 LYS CG C 13 24.746 0.3 . 1 . . . . . 65 LYS CG . 27589 1 78 . 1 1 43 43 LYS CD C 13 29.019 0.3 . 1 . . . . . 65 LYS CD . 27589 1 79 . 1 1 43 43 LYS CE C 13 41.707 0.3 . 1 . . . . . 65 LYS CE . 27589 1 80 . 1 1 43 43 LYS N N 15 113.445 0.3 . 1 . . . . . 65 LYS N . 27589 1 81 . 1 1 44 44 ASP H H 1 7.184 0.020 . 1 . . . . . 66 ASP H . 27589 1 82 . 1 1 44 44 ASP C C 13 175.509 0.3 . 1 . . . . . 66 ASP C . 27589 1 83 . 1 1 44 44 ASP CA C 13 54.874 0.3 . 1 . . . . . 66 ASP CA . 27589 1 84 . 1 1 44 44 ASP CB C 13 40.820 0.3 . 1 . . . . . 66 ASP CB . 27589 1 85 . 1 1 44 44 ASP N N 15 115.208 0.3 . 1 . . . . . 66 ASP N . 27589 1 86 . 1 1 45 45 ILE H H 1 7.432 0.020 . 1 . . . . . 67 ILE H . 27589 1 87 . 1 1 45 45 ILE C C 13 174.209 0.3 . 1 . . . . . 67 ILE C . 27589 1 88 . 1 1 45 45 ILE CA C 13 59.834 0.3 . 1 . . . . . 67 ILE CA . 27589 1 89 . 1 1 45 45 ILE CB C 13 39.191 0.3 . 1 . . . . . 67 ILE CB . 27589 1 90 . 1 1 45 45 ILE CG1 C 13 28.268 0.3 . 1 . . . . . 67 ILE CG1 . 27589 1 91 . 1 1 45 45 ILE CG2 C 13 16.622 0.3 . 1 . . . . . 67 ILE CG2 . 27589 1 92 . 1 1 45 45 ILE CD1 C 13 14.276 0.3 . 1 . . . . . 67 ILE CD1 . 27589 1 93 . 1 1 45 45 ILE N N 15 113.190 0.3 . 1 . . . . . 67 ILE N . 27589 1 94 . 1 1 46 46 ALA H H 1 7.921 0.020 . 1 . . . . . 68 ALA H . 27589 1 95 . 1 1 46 46 ALA C C 13 173.753 0.3 . 1 . . . . . 68 ALA C . 27589 1 96 . 1 1 46 46 ALA CA C 13 50.690 0.3 . 1 . . . . . 68 ALA CA . 27589 1 97 . 1 1 46 46 ALA CB C 13 21.694 0.3 . 1 . . . . . 68 ALA CB . 27589 1 98 . 1 1 46 46 ALA N N 15 119.651 0.3 . 1 . . . . . 68 ALA N . 27589 1 99 . 1 1 47 47 ASN H H 1 8.740 0.020 . 1 . . . . . 69 ASN H . 27589 1 100 . 1 1 47 47 ASN C C 13 174.265 0.3 . 1 . . . . . 69 ASN C . 27589 1 101 . 1 1 47 47 ASN CA C 13 51.817 0.3 . 1 . . . . . 69 ASN CA . 27589 1 102 . 1 1 47 47 ASN CB C 13 37.592 0.3 . 1 . . . . . 69 ASN CB . 27589 1 103 . 1 1 47 47 ASN N N 15 118.056 0.3 . 1 . . . . . 69 ASN N . 27589 1 104 . 1 1 48 48 VAL H H 1 8.537 0.020 . 1 . . . . . 70 VAL H . 27589 1 105 . 1 1 48 48 VAL C C 13 174.601 0.3 . 1 . . . . . 70 VAL C . 27589 1 106 . 1 1 48 48 VAL CA C 13 60.837 0.3 . 1 . . . . . 70 VAL CA . 27589 1 107 . 1 1 48 48 VAL CB C 13 32.319 0.3 . 1 . . . . . 70 VAL CB . 27589 1 108 . 1 1 48 48 VAL N N 15 124.986 0.3 . 1 . . . . . 70 VAL N . 27589 1 109 . 1 1 49 49 LYS H H 1 8.282 0.020 . 1 . . . . . 71 LYS H . 27589 1 110 . 1 1 49 49 LYS C C 13 174.173 0.3 . 1 . . . . . 71 LYS C . 27589 1 111 . 1 1 49 49 LYS CA C 13 54.065 0.3 . 1 . . . . . 71 LYS CA . 27589 1 112 . 1 1 49 49 LYS CB C 13 35.461 0.3 . 1 . . . . . 71 LYS CB . 27589 1 113 . 1 1 49 49 LYS CG C 13 24.122 0.3 . 1 . . . . . 71 LYS CG . 27589 1 114 . 1 1 49 49 LYS CD C 13 28.728 0.3 . 1 . . . . . 71 LYS CD . 27589 1 115 . 1 1 49 49 LYS CE C 13 41.786 0.3 . 1 . . . . . 71 LYS CE . 27589 1 116 . 1 1 49 49 LYS N N 15 126.887 0.3 . 1 . . . . . 71 LYS N . 27589 1 117 . 1 1 50 50 GLY H H 1 8.719 0.020 . 1 . . . . . 72 GLY H . 27589 1 118 . 1 1 50 50 GLY C C 13 171.983 0.3 . 1 . . . . . 72 GLY C . 27589 1 119 . 1 1 50 50 GLY CA C 13 44.791 0.3 . 1 . . . . . 72 GLY CA . 27589 1 120 . 1 1 50 50 GLY N N 15 109.698 0.3 . 1 . . . . . 72 GLY N . 27589 1 121 . 1 1 51 51 GLU H H 1 8.933 0.020 . 1 . . . . . 73 GLU H . 27589 1 122 . 1 1 51 51 GLU C C 13 173.246 0.3 . 1 . . . . . 73 GLU C . 27589 1 123 . 1 1 51 51 GLU CA C 13 54.815 0.3 . 1 . . . . . 73 GLU CA . 27589 1 124 . 1 1 51 51 GLU CB C 13 33.184 0.3 . 1 . . . . . 73 GLU CB . 27589 1 125 . 1 1 51 51 GLU N N 15 120.741 0.3 . 1 . . . . . 73 GLU N . 27589 1 126 . 1 1 52 52 GLN H H 1 9.153 0.020 . 1 . . . . . 74 GLN H . 27589 1 127 . 1 1 52 52 GLN C C 13 174.509 0.3 . 1 . . . . . 74 GLN C . 27589 1 128 . 1 1 52 52 GLN CA C 13 54.655 0.3 . 1 . . . . . 74 GLN CA . 27589 1 129 . 1 1 52 52 GLN CB C 13 26.097 0.3 . 1 . . . . . 74 GLN CB . 27589 1 130 . 1 1 52 52 GLN N N 15 126.962 0.3 . 1 . . . . . 74 GLN N . 27589 1 131 . 1 1 53 53 VAL H H 1 8.744 0.020 . 1 . . . . . 75 VAL H . 27589 1 132 . 1 1 53 53 VAL C C 13 174.744 0.3 . 1 . . . . . 75 VAL C . 27589 1 133 . 1 1 53 53 VAL CA C 13 64.496 0.3 . 1 . . . . . 75 VAL CA . 27589 1 134 . 1 1 53 53 VAL CB C 13 31.942 0.3 . 1 . . . . . 75 VAL CB . 27589 1 135 . 1 1 53 53 VAL CG1 C 13 20.404 0.3 . 1 . . . . . 75 VAL CG1 . 27589 1 136 . 1 1 53 53 VAL CG2 C 13 17.036 0.3 . 1 . . . . . 75 VAL CG2 . 27589 1 137 . 1 1 53 53 VAL N N 15 129.161 0.3 . 1 . . . . . 75 VAL N . 27589 1 138 . 1 1 54 54 VAL H H 1 7.605 0.020 . 1 . . . . . 76 VAL H . 27589 1 139 . 1 1 54 54 VAL C C 13 172.718 0.3 . 1 . . . . . 76 VAL C . 27589 1 140 . 1 1 54 54 VAL CA C 13 59.054 0.3 . 1 . . . . . 76 VAL CA . 27589 1 141 . 1 1 54 54 VAL CB C 13 35.207 0.3 . 1 . . . . . 76 VAL CB . 27589 1 142 . 1 1 54 54 VAL N N 15 110.939 0.3 . 1 . . . . . 76 VAL N . 27589 1 143 . 1 1 55 55 ASN H H 1 8.607 0.020 . 1 . . . . . 77 ASN H . 27589 1 144 . 1 1 55 55 ASN C C 13 176.577 0.3 . 1 . . . . . 77 ASN C . 27589 1 145 . 1 1 55 55 ASN CA C 13 52.061 0.3 . 1 . . . . . 77 ASN CA . 27589 1 146 . 1 1 55 55 ASN CB C 13 38.593 0.3 . 1 . . . . . 77 ASN CB . 27589 1 147 . 1 1 55 55 ASN N N 15 120.867 0.3 . 1 . . . . . 77 ASN N . 27589 1 148 . 1 1 59 59 GLN H H 1 9.926 0.020 . 1 . . . . . 81 GLN H . 27589 1 149 . 1 1 59 59 GLN C C 13 173.138 0.3 . 1 . . . . . 81 GLN C . 27589 1 150 . 1 1 59 59 GLN CA C 13 57.577 0.3 . 1 . . . . . 81 GLN CA . 27589 1 151 . 1 1 59 59 GLN CB C 13 25.107 0.3 . 1 . . . . . 81 GLN CB . 27589 1 152 . 1 1 59 59 GLN N N 15 128.812 0.3 . 1 . . . . . 81 GLN N . 27589 1 153 . 1 1 60 60 ASP H H 1 7.637 0.020 . 1 . . . . . 82 ASP H . 27589 1 154 . 1 1 60 60 ASP C C 13 174.789 0.3 . 1 . . . . . 82 ASP C . 27589 1 155 . 1 1 60 60 ASP CA C 13 53.570 0.3 . 1 . . . . . 82 ASP CA . 27589 1 156 . 1 1 60 60 ASP CB C 13 40.859 0.3 . 1 . . . . . 82 ASP CB . 27589 1 157 . 1 1 60 60 ASP N N 15 119.592 0.3 . 1 . . . . . 82 ASP N . 27589 1 158 . 1 1 61 61 MET H H 1 7.176 0.020 . 1 . . . . . 83 MET H . 27589 1 159 . 1 1 61 61 MET C C 13 171.771 0.3 . 1 . . . . . 83 MET C . 27589 1 160 . 1 1 61 61 MET CA C 13 54.411 0.3 . 1 . . . . . 83 MET CA . 27589 1 161 . 1 1 61 61 MET CB C 13 30.307 0.3 . 1 . . . . . 83 MET CB . 27589 1 162 . 1 1 61 61 MET N N 15 120.265 0.3 . 1 . . . . . 83 MET N . 27589 1 163 . 1 1 62 62 ASN H H 1 6.338 0.020 . 1 . . . . . 84 ASN H . 27589 1 164 . 1 1 62 62 ASN C C 13 172.810 0.3 . 1 . . . . . 84 ASN C . 27589 1 165 . 1 1 62 62 ASN CA C 13 51.754 0.3 . 1 . . . . . 84 ASN CA . 27589 1 166 . 1 1 62 62 ASN CB C 13 41.367 0.3 . 1 . . . . . 84 ASN CB . 27589 1 167 . 1 1 62 62 ASN N N 15 113.471 0.3 . 1 . . . . . 84 ASN N . 27589 1 168 . 1 1 63 63 ASP H H 1 8.727 0.020 . 1 . . . . . 85 ASP H . 27589 1 169 . 1 1 63 63 ASP C C 13 176.719 0.3 . 1 . . . . . 85 ASP C . 27589 1 170 . 1 1 63 63 ASP CA C 13 55.980 0.3 . 1 . . . . . 85 ASP CA . 27589 1 171 . 1 1 63 63 ASP CB C 13 41.083 0.3 . 1 . . . . . 85 ASP CB . 27589 1 172 . 1 1 63 63 ASP N N 15 118.049 0.3 . 1 . . . . . 85 ASP N . 27589 1 173 . 1 1 64 64 ASN H H 1 7.921 0.020 . 1 . . . . . 86 ASN H . 27589 1 174 . 1 1 64 64 ASN C C 13 178.074 0.3 . 1 . . . . . 86 ASN C . 27589 1 175 . 1 1 64 64 ASN CA C 13 56.129 0.3 . 1 . . . . . 86 ASN CA . 27589 1 176 . 1 1 64 64 ASN CB C 13 38.106 0.3 . 1 . . . . . 86 ASN CB . 27589 1 177 . 1 1 64 64 ASN N N 15 115.526 0.3 . 1 . . . . . 86 ASN N . 27589 1 178 . 1 1 65 65 VAL H H 1 7.503 0.020 . 1 . . . . . 87 VAL H . 27589 1 179 . 1 1 65 65 VAL C C 13 176.906 0.3 . 1 . . . . . 87 VAL C . 27589 1 180 . 1 1 65 65 VAL CA C 13 65.725 0.3 . 1 . . . . . 87 VAL CA . 27589 1 181 . 1 1 65 65 VAL CB C 13 31.008 0.3 . 1 . . . . . 87 VAL CB . 27589 1 182 . 1 1 65 65 VAL N N 15 122.221 0.3 . 1 . . . . . 87 VAL N . 27589 1 183 . 1 1 66 66 TRP H H 1 7.192 0.020 . 1 . . . . . 88 TRP H . 27589 1 184 . 1 1 66 66 TRP C C 13 176.700 0.3 . 1 . . . . . 88 TRP C . 27589 1 185 . 1 1 66 66 TRP CA C 13 58.716 0.3 . 1 . . . . . 88 TRP CA . 27589 1 186 . 1 1 66 66 TRP CB C 13 26.424 0.3 . 1 . . . . . 88 TRP CB . 27589 1 187 . 1 1 66 66 TRP N N 15 121.297 0.3 . 1 . . . . . 88 TRP N . 27589 1 188 . 1 1 67 67 LEU H H 1 8.112 0.020 . 1 . . . . . 89 LEU H . 27589 1 189 . 1 1 67 67 LEU C C 13 177.899 0.3 . 1 . . . . . 89 LEU C . 27589 1 190 . 1 1 67 67 LEU CA C 13 57.863 0.3 . 1 . . . . . 89 LEU CA . 27589 1 191 . 1 1 67 67 LEU CB C 13 41.769 0.3 . 1 . . . . . 89 LEU CB . 27589 1 192 . 1 1 67 67 LEU N N 15 117.724 0.3 . 1 . . . . . 89 LEU N . 27589 1 193 . 1 1 68 68 THR H H 1 7.831 0.020 . 1 . . . . . 90 THR H . 27589 1 194 . 1 1 68 68 THR CA C 13 66.467 0.3 . 1 . . . . . 90 THR CA . 27589 1 195 . 1 1 68 68 THR CB C 13 68.706 0.3 . 1 . . . . . 90 THR CB . 27589 1 196 . 1 1 68 68 THR N N 15 115.331 0.3 . 1 . . . . . 90 THR N . 27589 1 197 . 1 1 69 69 LEU H H 1 7.008 0.020 . 1 . . . . . 91 LEU H . 27589 1 198 . 1 1 69 69 LEU C C 13 174.715 0.3 . 1 . . . . . 91 LEU C . 27589 1 199 . 1 1 69 69 LEU CA C 13 54.702 0.3 . 1 . . . . . 91 LEU CA . 27589 1 200 . 1 1 69 69 LEU CB C 13 41.226 0.3 . 1 . . . . . 91 LEU CB . 27589 1 201 . 1 1 69 69 LEU N N 15 120.856 0.3 . 1 . . . . . 91 LEU N . 27589 1 202 . 1 1 70 70 ALA H H 1 7.386 0.020 . 1 . . . . . 92 ALA H . 27589 1 203 . 1 1 70 70 ALA C C 13 177.471 0.3 . 1 . . . . . 92 ALA C . 27589 1 204 . 1 1 70 70 ALA CA C 13 54.102 0.3 . 1 . . . . . 92 ALA CA . 27589 1 205 . 1 1 70 70 ALA CB C 13 17.724 0.3 . 1 . . . . . 92 ALA CB . 27589 1 206 . 1 1 70 70 ALA N N 15 125.142 0.3 . 1 . . . . . 92 ALA N . 27589 1 207 . 1 1 71 71 LYS H H 1 7.746 0.020 . 1 . . . . . 93 LYS H . 27589 1 208 . 1 1 71 71 LYS C C 13 179.077 0.3 . 1 . . . . . 93 LYS C . 27589 1 209 . 1 1 71 71 LYS CA C 13 59.074 0.3 . 1 . . . . . 93 LYS CA . 27589 1 210 . 1 1 71 71 LYS CB C 13 32.853 0.3 . 1 . . . . . 93 LYS CB . 27589 1 211 . 1 1 71 71 LYS CG C 13 25.560 0.3 . 1 . . . . . 93 LYS CG . 27589 1 212 . 1 1 71 71 LYS CD C 13 29.709 0.3 . 1 . . . . . 93 LYS CD . 27589 1 213 . 1 1 71 71 LYS CE C 13 42.675 0.3 . 1 . . . . . 93 LYS CE . 27589 1 214 . 1 1 71 71 LYS N N 15 114.229 0.3 . 1 . . . . . 93 LYS N . 27589 1 215 . 1 1 72 72 LYS H H 1 7.930 0.020 . 1 . . . . . 94 LYS H . 27589 1 216 . 1 1 72 72 LYS C C 13 176.679 0.3 . 1 . . . . . 94 LYS C . 27589 1 217 . 1 1 72 72 LYS CA C 13 58.154 0.3 . 1 . . . . . 94 LYS CA . 27589 1 218 . 1 1 72 72 LYS CB C 13 31.749 0.3 . 1 . . . . . 94 LYS CB . 27589 1 219 . 1 1 72 72 LYS CG C 13 24.981 0.3 . 1 . . . . . 94 LYS CG . 27589 1 220 . 1 1 72 72 LYS CD C 13 28.038 0.3 . 1 . . . . . 94 LYS CD . 27589 1 221 . 1 1 72 72 LYS CE C 13 41.794 0.3 . 1 . . . . . 94 LYS CE . 27589 1 222 . 1 1 72 72 LYS N N 15 121.967 0.3 . 1 . . . . . 94 LYS N . 27589 1 223 . 1 1 73 73 ILE H H 1 8.595 0.020 . 1 . . . . . 95 ILE H . 27589 1 224 . 1 1 73 73 ILE C C 13 176.719 0.3 . 1 . . . . . 95 ILE C . 27589 1 225 . 1 1 73 73 ILE CA C 13 58.220 0.3 . 1 . . . . . 95 ILE CA . 27589 1 226 . 1 1 73 73 ILE CB C 13 39.018 0.3 . 1 . . . . . 95 ILE CB . 27589 1 227 . 1 1 73 73 ILE N N 15 126.626 0.3 . 1 . . . . . 95 ILE N . 27589 1 228 . 1 1 74 74 ASN H H 1 7.930 0.020 . 1 . . . . . 96 ASN H . 27589 1 229 . 1 1 74 74 ASN C C 13 178.112 0.3 . 1 . . . . . 96 ASN C . 27589 1 230 . 1 1 74 74 ASN CA C 13 55.189 0.3 . 1 . . . . . 96 ASN CA . 27589 1 231 . 1 1 74 74 ASN CB C 13 36.405 0.3 . 1 . . . . . 96 ASN CB . 27589 1 232 . 1 1 74 74 ASN N N 15 115.915 0.3 . 1 . . . . . 96 ASN N . 27589 1 233 . 1 1 75 75 THR H H 1 8.270 0.020 . 1 . . . . . 97 THR H . 27589 1 234 . 1 1 75 75 THR C C 13 175.518 0.3 . 1 . . . . . 97 THR C . 27589 1 235 . 1 1 75 75 THR CA C 13 65.669 0.3 . 1 . . . . . 97 THR CA . 27589 1 236 . 1 1 75 75 THR CB C 13 68.396 0.3 . 1 . . . . . 97 THR CB . 27589 1 237 . 1 1 75 75 THR CG2 C 13 21.859 0.3 . 1 . . . . . 97 THR CG2 . 27589 1 238 . 1 1 75 75 THR N N 15 116.915 0.3 . 1 . . . . . 97 THR N . 27589 1 239 . 1 1 76 76 ASP H H 1 8.205 0.020 . 1 . . . . . 98 ASP H . 27589 1 240 . 1 1 76 76 ASP C C 13 176.073 0.3 . 1 . . . . . 98 ASP C . 27589 1 241 . 1 1 76 76 ASP CA C 13 54.536 0.3 . 1 . . . . . 98 ASP CA . 27589 1 242 . 1 1 76 76 ASP CB C 13 38.937 0.3 . 1 . . . . . 98 ASP CB . 27589 1 243 . 1 1 76 76 ASP N N 15 121.210 0.3 . 1 . . . . . 98 ASP N . 27589 1 244 . 1 1 77 77 CYS H H 1 7.408 0.020 . 1 . . . . . 99 CYS H . 27589 1 245 . 1 1 77 77 CYS C C 13 173.805 0.3 . 1 . . . . . 99 CYS C . 27589 1 246 . 1 1 77 77 CYS CA C 13 59.433 0.3 . 1 . . . . . 99 CYS CA . 27589 1 247 . 1 1 77 77 CYS CB C 13 38.954 0.3 . 1 . . . . . 99 CYS CB . 27589 1 248 . 1 1 77 77 CYS N N 15 120.907 0.3 . 1 . . . . . 99 CYS N . 27589 1 249 . 1 1 78 78 ASP H H 1 8.512 0.020 . 1 . . . . . 100 ASP H . 27589 1 250 . 1 1 78 78 ASP C C 13 176.061 0.3 . 1 . . . . . 100 ASP C . 27589 1 251 . 1 1 78 78 ASP CA C 13 55.121 0.3 . 1 . . . . . 100 ASP CA . 27589 1 252 . 1 1 78 78 ASP CB C 13 39.422 0.3 . 1 . . . . . 100 ASP CB . 27589 1 253 . 1 1 78 78 ASP N N 15 112.982 0.3 . 1 . . . . . 100 ASP N . 27589 1 254 . 1 1 79 79 LYS H H 1 7.972 0.020 . 1 . . . . . 101 LYS H . 27589 1 255 . 1 1 79 79 LYS C C 13 174.265 0.3 . 1 . . . . . 101 LYS C . 27589 1 256 . 1 1 79 79 LYS CA C 13 55.179 0.3 . 1 . . . . . 101 LYS CA . 27589 1 257 . 1 1 79 79 LYS CB C 13 32.756 0.3 . 1 . . . . . 101 LYS CB . 27589 1 258 . 1 1 79 79 LYS CG C 13 24.250 0.3 . 1 . . . . . 101 LYS CG . 27589 1 259 . 1 1 79 79 LYS CD C 13 28.701 0.3 . 1 . . . . . 101 LYS CD . 27589 1 260 . 1 1 79 79 LYS CE C 13 41.697 0.3 . 1 . . . . . 101 LYS CE . 27589 1 261 . 1 1 79 79 LYS N N 15 116.911 0.3 . 1 . . . . . 101 LYS N . 27589 1 262 . 1 1 80 80 THR H H 1 7.214 0.020 . 1 . . . . . 102 THR H . 27589 1 263 . 1 1 80 80 THR C C 13 170.141 0.3 . 1 . . . . . 102 THR C . 27589 1 264 . 1 1 80 80 THR CA C 13 58.915 0.3 . 1 . . . . . 102 THR CA . 27589 1 265 . 1 1 80 80 THR CB C 13 70.070 0.3 . 1 . . . . . 102 THR CB . 27589 1 266 . 1 1 80 80 THR CG2 C 13 20.397 0.3 . 1 . . . . . 102 THR CG2 . 27589 1 267 . 1 1 80 80 THR N N 15 115.405 0.3 . 1 . . . . . 102 THR N . 27589 1 268 . 1 1 81 81 ASP H H 1 8.473 0.020 . 1 . . . . . 103 ASP H . 27589 1 269 . 1 1 81 81 ASP C C 13 176.265 0.3 . 1 . . . . . 103 ASP C . 27589 1 270 . 1 1 81 81 ASP CA C 13 55.095 0.3 . 1 . . . . . 103 ASP CA . 27589 1 271 . 1 1 81 81 ASP CB C 13 40.698 0.3 . 1 . . . . . 103 ASP CB . 27589 1 272 . 1 1 81 81 ASP N N 15 118.791 0.3 . 1 . . . . . 103 ASP N . 27589 1 273 . 1 1 82 82 GLY H H 1 7.594 0.020 . 1 . . . . . 104 GLY H . 27589 1 274 . 1 1 82 82 GLY C C 13 169.044 0.3 . 1 . . . . . 104 GLY C . 27589 1 275 . 1 1 82 82 GLY CA C 13 45.191 0.3 . 1 . . . . . 104 GLY CA . 27589 1 276 . 1 1 82 82 GLY N N 15 108.539 0.3 . 1 . . . . . 104 GLY N . 27589 1 277 . 1 1 83 83 PHE H H 1 7.215 0.020 . 1 . . . . . 105 PHE H . 27589 1 278 . 1 1 83 83 PHE C C 13 173.672 0.3 . 1 . . . . . 105 PHE C . 27589 1 279 . 1 1 83 83 PHE CA C 13 56.895 0.3 . 1 . . . . . 105 PHE CA . 27589 1 280 . 1 1 83 83 PHE CB C 13 41.524 0.3 . 1 . . . . . 105 PHE CB . 27589 1 281 . 1 1 83 83 PHE N N 15 116.982 0.3 . 1 . . . . . 105 PHE N . 27589 1 282 . 1 1 84 84 VAL H H 1 8.279 0.020 . 1 . . . . . 106 VAL H . 27589 1 283 . 1 1 84 84 VAL C C 13 175.282 0.3 . 1 . . . . . 106 VAL C . 27589 1 284 . 1 1 84 84 VAL CA C 13 59.647 0.3 . 1 . . . . . 106 VAL CA . 27589 1 285 . 1 1 84 84 VAL CB C 13 39.324 0.3 . 1 . . . . . 106 VAL CB . 27589 1 286 . 1 1 84 84 VAL N N 15 121.649 0.3 . 1 . . . . . 106 VAL N . 27589 1 287 . 1 1 85 85 ILE H H 1 8.880 0.020 . 1 . . . . . 107 ILE H . 27589 1 288 . 1 1 85 85 ILE C C 13 175.931 0.3 . 1 . . . . . 107 ILE C . 27589 1 289 . 1 1 85 85 ILE CA C 13 54.970 0.3 . 1 . . . . . 107 ILE CA . 27589 1 290 . 1 1 85 85 ILE CB C 13 39.129 0.3 . 1 . . . . . 107 ILE CB . 27589 1 291 . 1 1 85 85 ILE N N 15 126.368 0.3 . 1 . . . . . 107 ILE N . 27589 1 292 . 1 1 87 87 HIS H H 1 8.910 0.020 . 1 . . . . . 109 HIS H . 27589 1 293 . 1 1 87 87 HIS C C 13 173.763 0.3 . 1 . . . . . 109 HIS C . 27589 1 294 . 1 1 87 87 HIS CA C 13 54.636 0.3 . 1 . . . . . 109 HIS CA . 27589 1 295 . 1 1 87 87 HIS CB C 13 33.697 0.3 . 1 . . . . . 109 HIS CB . 27589 1 296 . 1 1 87 87 HIS N N 15 128.926 0.3 . 1 . . . . . 109 HIS N . 27589 1 297 . 1 1 88 88 GLY H H 1 8.413 0.020 . 1 . . . . . 110 GLY H . 27589 1 298 . 1 1 88 88 GLY C C 13 176.734 0.3 . 1 . . . . . 110 GLY C . 27589 1 299 . 1 1 88 88 GLY CA C 13 45.618 0.3 . 1 . . . . . 110 GLY CA . 27589 1 300 . 1 1 88 88 GLY N N 15 111.130 0.3 . 1 . . . . . 110 GLY N . 27589 1 301 . 1 1 92 92 MET H H 1 7.141 0.020 . 1 . . . . . 114 MET H . 27589 1 302 . 1 1 92 92 MET C C 13 175.488 0.3 . 1 . . . . . 114 MET C . 27589 1 303 . 1 1 92 92 MET CA C 13 59.302 0.3 . 1 . . . . . 114 MET CA . 27589 1 304 . 1 1 92 92 MET CB C 13 33.422 0.3 . 1 . . . . . 114 MET CB . 27589 1 305 . 1 1 92 92 MET N N 15 126.024 0.3 . 1 . . . . . 114 MET N . 27589 1 306 . 1 1 93 93 GLU H H 1 9.727 0.020 . 1 . . . . . 115 GLU H . 27589 1 307 . 1 1 93 93 GLU C C 13 174.986 0.3 . 1 . . . . . 115 GLU C . 27589 1 308 . 1 1 93 93 GLU CA C 13 57.104 0.3 . 1 . . . . . 115 GLU CA . 27589 1 309 . 1 1 93 93 GLU CB C 13 30.227 0.3 . 1 . . . . . 115 GLU CB . 27589 1 310 . 1 1 93 93 GLU N N 15 113.241 0.3 . 1 . . . . . 115 GLU N . 27589 1 311 . 1 1 94 94 GLU H H 1 7.796 0.020 . 1 . . . . . 116 GLU H . 27589 1 312 . 1 1 94 94 GLU C C 13 174.796 0.3 . 1 . . . . . 116 GLU C . 27589 1 313 . 1 1 94 94 GLU CA C 13 58.398 0.3 . 1 . . . . . 116 GLU CA . 27589 1 314 . 1 1 94 94 GLU CB C 13 29.945 0.3 . 1 . . . . . 116 GLU CB . 27589 1 315 . 1 1 94 94 GLU N N 15 122.755 0.3 . 1 . . . . . 116 GLU N . 27589 1 316 . 1 1 95 95 THR H H 1 7.680 0.020 . 1 . . . . . 117 THR H . 27589 1 317 . 1 1 95 95 THR C C 13 175.824 0.3 . 1 . . . . . 117 THR C . 27589 1 318 . 1 1 95 95 THR CA C 13 64.436 0.3 . 1 . . . . . 117 THR CA . 27589 1 319 . 1 1 95 95 THR CB C 13 68.331 0.3 . 1 . . . . . 117 THR CB . 27589 1 320 . 1 1 95 95 THR N N 15 115.616 0.3 . 1 . . . . . 117 THR N . 27589 1 321 . 1 1 104 104 LYS H H 1 9.286 0.020 . 1 . . . . . 126 LYS H . 27589 1 322 . 1 1 104 104 LYS C C 13 174.408 0.3 . 1 . . . . . 126 LYS C . 27589 1 323 . 1 1 104 104 LYS CA C 13 51.517 0.3 . 1 . . . . . 126 LYS CA . 27589 1 324 . 1 1 104 104 LYS CB C 13 30.264 0.3 . 1 . . . . . 126 LYS CB . 27589 1 325 . 1 1 104 104 LYS CG C 13 23.331 0.3 . 1 . . . . . 126 LYS CG . 27589 1 326 . 1 1 104 104 LYS CD C 13 27.385 0.3 . 1 . . . . . 126 LYS CD . 27589 1 327 . 1 1 104 104 LYS CE C 13 43.359 0.3 . 1 . . . . . 126 LYS CE . 27589 1 328 . 1 1 104 104 LYS N N 15 124.346 0.3 . 1 . . . . . 126 LYS N . 27589 1 329 . 1 1 105 105 CYS H H 1 6.671 0.020 . 1 . . . . . 127 CYS H . 27589 1 330 . 1 1 105 105 CYS C C 13 172.558 0.3 . 1 . . . . . 127 CYS C . 27589 1 331 . 1 1 105 105 CYS CA C 13 53.578 0.3 . 1 . . . . . 127 CYS CA . 27589 1 332 . 1 1 105 105 CYS CB C 13 37.937 0.3 . 1 . . . . . 127 CYS CB . 27589 1 333 . 1 1 105 105 CYS N N 15 117.886 0.3 . 1 . . . . . 127 CYS N . 27589 1 334 . 1 1 106 106 ASP H H 1 9.005 0.020 . 1 . . . . . 128 ASP H . 27589 1 335 . 1 1 106 106 ASP C C 13 176.057 0.3 . 1 . . . . . 128 ASP C . 27589 1 336 . 1 1 106 106 ASP CA C 13 54.539 0.3 . 1 . . . . . 128 ASP CA . 27589 1 337 . 1 1 106 106 ASP CB C 13 39.746 0.3 . 1 . . . . . 128 ASP CB . 27589 1 338 . 1 1 106 106 ASP N N 15 128.254 0.3 . 1 . . . . . 128 ASP N . 27589 1 339 . 1 1 107 107 LYS C C 13 175.205 0.3 . 1 . . . . . 129 LYS C . 27589 1 340 . 1 1 107 107 LYS CA C 13 54.368 0.3 . 1 . . . . . 129 LYS CA . 27589 1 341 . 1 1 107 107 LYS CB C 13 32.038 0.3 . 1 . . . . . 129 LYS CB . 27589 1 342 . 1 1 107 107 LYS CG C 13 24.400 0.3 . 1 . . . . . 129 LYS CG . 27589 1 343 . 1 1 107 107 LYS CD C 13 28.303 0.3 . 1 . . . . . 129 LYS CD . 27589 1 344 . 1 1 107 107 LYS CE C 13 41.701 0.3 . 1 . . . . . 129 LYS CE . 27589 1 345 . 1 1 107 107 LYS N N 15 118.429 0.3 . 1 . . . . . 129 LYS N . 27589 1 346 . 1 1 112 112 VAL H H 1 8.902 0.020 . 1 . . . . . 134 VAL H . 27589 1 347 . 1 1 112 112 VAL C C 13 174.647 0.3 . 1 . . . . . 134 VAL C . 27589 1 348 . 1 1 112 112 VAL CA C 13 59.149 0.3 . 1 . . . . . 134 VAL CA . 27589 1 349 . 1 1 112 112 VAL CB C 13 39.700 0.3 . 1 . . . . . 134 VAL CB . 27589 1 350 . 1 1 112 112 VAL N N 15 121.951 0.3 . 1 . . . . . 134 VAL N . 27589 1 351 . 1 1 113 113 GLY H H 1 8.721 0.020 . 1 . . . . . 135 GLY H . 27589 1 352 . 1 1 113 113 GLY C C 13 170.371 0.3 . 1 . . . . . 135 GLY C . 27589 1 353 . 1 1 113 113 GLY CA C 13 44.564 0.3 . 1 . . . . . 135 GLY CA . 27589 1 354 . 1 1 113 113 GLY N N 15 112.734 0.3 . 1 . . . . . 135 GLY N . 27589 1 355 . 1 1 114 114 ALA H H 1 8.779 0.020 . 1 . . . . . 136 ALA H . 27589 1 356 . 1 1 114 114 ALA C C 13 176.456 0.3 . 1 . . . . . 136 ALA C . 27589 1 357 . 1 1 114 114 ALA CA C 13 51.277 0.3 . 1 . . . . . 136 ALA CA . 27589 1 358 . 1 1 114 114 ALA CB C 13 21.987 0.3 . 1 . . . . . 136 ALA CB . 27589 1 359 . 1 1 114 114 ALA N N 15 122.225 0.3 . 1 . . . . . 136 ALA N . 27589 1 360 . 1 1 115 115 MET H H 1 11.582 0.020 . 1 . . . . . 137 MET H . 27589 1 361 . 1 1 115 115 MET C C 13 176.865 0.3 . 1 . . . . . 137 MET C . 27589 1 362 . 1 1 115 115 MET CA C 13 54.189 0.3 . 1 . . . . . 137 MET CA . 27589 1 363 . 1 1 115 115 MET N N 15 125.725 0.3 . 1 . . . . . 137 MET N . 27589 1 364 . 1 1 116 116 ARG H H 1 9.868 0.020 . 1 . . . . . 138 ARG H . 27589 1 365 . 1 1 116 116 ARG C C 13 172.876 0.3 . 1 . . . . . 138 ARG C . 27589 1 366 . 1 1 116 116 ARG CA C 13 52.629 0.3 . 1 . . . . . 138 ARG CA . 27589 1 367 . 1 1 116 116 ARG CB C 13 30.578 0.3 . 1 . . . . . 138 ARG CB . 27589 1 368 . 1 1 116 116 ARG N N 15 124.817 0.3 . 1 . . . . . 138 ARG N . 27589 1 369 . 1 1 135 135 THR H H 1 7.840 0.020 . 1 . . . . . 157 THR H . 27589 1 370 . 1 1 135 135 THR C C 13 173.997 0.3 . 1 . . . . . 157 THR C . 27589 1 371 . 1 1 135 135 THR CA C 13 62.667 0.3 . 1 . . . . . 157 THR CA . 27589 1 372 . 1 1 135 135 THR CB C 13 72.015 0.3 . 1 . . . . . 157 THR CB . 27589 1 373 . 1 1 135 135 THR N N 15 109.532 0.3 . 1 . . . . . 157 THR N . 27589 1 374 . 1 1 137 137 ALA H H 1 9.071 0.020 . 1 . . . . . 159 ALA H . 27589 1 375 . 1 1 137 137 ALA C C 13 175.520 0.3 . 1 . . . . . 159 ALA C . 27589 1 376 . 1 1 137 137 ALA CA C 13 51.578 0.3 . 1 . . . . . 159 ALA CA . 27589 1 377 . 1 1 137 137 ALA CB C 13 21.829 0.3 . 1 . . . . . 159 ALA CB . 27589 1 378 . 1 1 137 137 ALA N N 15 122.850 0.3 . 1 . . . . . 159 ALA N . 27589 1 379 . 1 1 138 138 ASP H H 1 7.117 0.020 . 1 . . . . . 160 ASP H . 27589 1 380 . 1 1 138 138 ASP C C 13 177.728 0.3 . 1 . . . . . 160 ASP C . 27589 1 381 . 1 1 138 138 ASP CA C 13 53.679 0.3 . 1 . . . . . 160 ASP CA . 27589 1 382 . 1 1 138 138 ASP CB C 13 42.086 0.3 . 1 . . . . . 160 ASP CB . 27589 1 383 . 1 1 138 138 ASP N N 15 122.182 0.3 . 1 . . . . . 160 ASP N . 27589 1 384 . 1 1 139 139 LYS H H 1 8.878 0.020 . 1 . . . . . 161 LYS H . 27589 1 385 . 1 1 139 139 LYS C C 13 178.719 0.3 . 1 . . . . . 161 LYS C . 27589 1 386 . 1 1 139 139 LYS CA C 13 58.130 0.3 . 1 . . . . . 161 LYS CA . 27589 1 387 . 1 1 139 139 LYS CB C 13 31.580 0.3 . 1 . . . . . 161 LYS CB . 27589 1 388 . 1 1 139 139 LYS CG C 13 24.714 0.3 . 1 . . . . . 161 LYS CG . 27589 1 389 . 1 1 139 139 LYS CD C 13 28.164 0.3 . 1 . . . . . 161 LYS CD . 27589 1 390 . 1 1 139 139 LYS CE C 13 41.608 0.3 . 1 . . . . . 161 LYS CE . 27589 1 391 . 1 1 139 139 LYS N N 15 129.392 0.3 . 1 . . . . . 161 LYS N . 27589 1 392 . 1 1 140 140 ALA H H 1 9.155 0.020 . 1 . . . . . 162 ALA H . 27589 1 393 . 1 1 140 140 ALA C C 13 177.785 0.3 . 1 . . . . . 162 ALA C . 27589 1 394 . 1 1 140 140 ALA CA C 13 53.024 0.3 . 1 . . . . . 162 ALA CA . 27589 1 395 . 1 1 140 140 ALA CB C 13 18.189 0.3 . 1 . . . . . 162 ALA CB . 27589 1 396 . 1 1 140 140 ALA N N 15 121.074 0.3 . 1 . . . . . 162 ALA N . 27589 1 397 . 1 1 141 141 SER H H 1 8.172 0.020 . 1 . . . . . 163 SER H . 27589 1 398 . 1 1 141 141 SER C C 13 172.430 0.3 . 1 . . . . . 163 SER C . 27589 1 399 . 1 1 141 141 SER CA C 13 57.949 0.3 . 1 . . . . . 163 SER CA . 27589 1 400 . 1 1 141 141 SER CB C 13 63.356 0.3 . 1 . . . . . 163 SER CB . 27589 1 401 . 1 1 141 141 SER N N 15 114.155 0.3 . 1 . . . . . 163 SER N . 27589 1 402 . 1 1 142 142 ALA H H 1 7.027 0.020 . 1 . . . . . 164 ALA H . 27589 1 403 . 1 1 142 142 ALA C C 13 175.321 0.3 . 1 . . . . . 164 ALA C . 27589 1 404 . 1 1 142 142 ALA CA C 13 52.027 0.3 . 1 . . . . . 164 ALA CA . 27589 1 405 . 1 1 142 142 ALA CB C 13 18.055 0.3 . 1 . . . . . 164 ALA CB . 27589 1 406 . 1 1 142 142 ALA N N 15 121.561 0.3 . 1 . . . . . 164 ALA N . 27589 1 407 . 1 1 143 143 ASN H H 1 8.735 0.020 . 1 . . . . . 165 ASN H . 27589 1 408 . 1 1 143 143 ASN C C 13 175.155 0.3 . 1 . . . . . 165 ASN C . 27589 1 409 . 1 1 143 143 ASN CA C 13 54.779 0.3 . 1 . . . . . 165 ASN CA . 27589 1 410 . 1 1 143 143 ASN CB C 13 37.134 0.3 . 1 . . . . . 165 ASN CB . 27589 1 411 . 1 1 143 143 ASN N N 15 112.332 0.3 . 1 . . . . . 165 ASN N . 27589 1 412 . 1 1 144 144 ARG H H 1 7.879 0.020 . 1 . . . . . 166 ARG H . 27589 1 413 . 1 1 144 144 ARG C C 13 174.665 0.3 . 1 . . . . . 166 ARG C . 27589 1 414 . 1 1 144 144 ARG CA C 13 54.728 0.3 . 1 . . . . . 166 ARG CA . 27589 1 415 . 1 1 144 144 ARG CB C 13 30.968 0.3 . 1 . . . . . 166 ARG CB . 27589 1 416 . 1 1 144 144 ARG N N 15 116.128 0.3 . 1 . . . . . 166 ARG N . 27589 1 417 . 1 1 145 145 GLY H H 1 7.714 0.020 . 1 . . . . . 167 GLY H . 27589 1 418 . 1 1 145 145 GLY C C 13 173.947 0.3 . 1 . . . . . 167 GLY C . 27589 1 419 . 1 1 145 145 GLY CA C 13 42.772 0.3 . 1 . . . . . 167 GLY CA . 27589 1 420 . 1 1 145 145 GLY N N 15 108.009 0.3 . 1 . . . . . 167 GLY N . 27589 1 421 . 1 1 146 146 VAL H H 1 7.600 0.020 . 1 . . . . . 168 VAL H . 27589 1 422 . 1 1 146 146 VAL C C 13 174.645 0.3 . 1 . . . . . 168 VAL C . 27589 1 423 . 1 1 146 146 VAL CA C 13 63.075 0.3 . 1 . . . . . 168 VAL CA . 27589 1 424 . 1 1 146 146 VAL CB C 13 31.190 0.3 . 1 . . . . . 168 VAL CB . 27589 1 425 . 1 1 146 146 VAL N N 15 119.771 0.3 . 1 . . . . . 168 VAL N . 27589 1 426 . 1 1 158 158 ARG H H 1 7.875 0.020 . 1 . . . . . 180 ARG H . 27589 1 427 . 1 1 158 158 ARG CA C 13 58.743 0.3 . 1 . . . . . 180 ARG CA . 27589 1 428 . 1 1 158 158 ARG CB C 13 29.001 0.3 . 1 . . . . . 180 ARG CB . 27589 1 429 . 1 1 158 158 ARG N N 15 120.692 0.3 . 1 . . . . . 180 ARG N . 27589 1 430 . 1 1 159 159 ASP H H 1 8.522 0.020 . 1 . . . . . 181 ASP H . 27589 1 431 . 1 1 159 159 ASP C C 13 177.586 0.3 . 1 . . . . . 181 ASP C . 27589 1 432 . 1 1 159 159 ASP CA C 13 55.151 0.3 . 1 . . . . . 181 ASP CA . 27589 1 433 . 1 1 159 159 ASP N N 15 120.542 0.3 . 1 . . . . . 181 ASP N . 27589 1 434 . 1 1 160 160 VAL H H 1 7.074 0.020 . 1 . . . . . 182 VAL H . 27589 1 435 . 1 1 160 160 VAL C C 13 173.101 0.3 . 1 . . . . . 182 VAL C . 27589 1 436 . 1 1 160 160 VAL CA C 13 61.425 0.3 . 1 . . . . . 182 VAL CA . 27589 1 437 . 1 1 160 160 VAL CB C 13 28.820 0.3 . 1 . . . . . 182 VAL CB . 27589 1 438 . 1 1 160 160 VAL N N 15 117.384 0.3 . 1 . . . . . 182 VAL N . 27589 1 439 . 1 1 161 161 THR H H 1 8.719 0.020 . 1 . . . . . 183 THR H . 27589 1 440 . 1 1 161 161 THR CA C 13 59.997 0.3 . 1 . . . . . 183 THR CA . 27589 1 441 . 1 1 161 161 THR CB C 13 69.326 0.3 . 1 . . . . . 183 THR CB . 27589 1 442 . 1 1 161 161 THR N N 15 121.891 0.3 . 1 . . . . . 183 THR N . 27589 1 443 . 1 1 162 162 LYS H H 1 7.614 0.020 . 1 . . . . . 184 LYS H . 27589 1 444 . 1 1 162 162 LYS C C 13 174.750 0.3 . 1 . . . . . 184 LYS C . 27589 1 445 . 1 1 162 162 LYS CA C 13 56.308 0.3 . 1 . . . . . 184 LYS CA . 27589 1 446 . 1 1 162 162 LYS CB C 13 32.066 0.3 . 1 . . . . . 184 LYS CB . 27589 1 447 . 1 1 162 162 LYS CG C 13 26.638 0.3 . 1 . . . . . 184 LYS CG . 27589 1 448 . 1 1 162 162 LYS CD C 13 30.649 0.3 . 1 . . . . . 184 LYS CD . 27589 1 449 . 1 1 162 162 LYS CE C 13 42.214 0.3 . 1 . . . . . 184 LYS CE . 27589 1 450 . 1 1 162 162 LYS N N 15 128.701 0.3 . 1 . . . . . 184 LYS N . 27589 1 451 . 1 1 163 163 THR H H 1 7.914 0.020 . 1 . . . . . 185 THR H . 27589 1 452 . 1 1 163 163 THR C C 13 174.986 0.3 . 1 . . . . . 185 THR C . 27589 1 453 . 1 1 163 163 THR CA C 13 63.585 0.3 . 1 . . . . . 185 THR CA . 27589 1 454 . 1 1 163 163 THR CB C 13 71.200 0.3 . 1 . . . . . 185 THR CB . 27589 1 455 . 1 1 163 163 THR N N 15 118.468 0.3 . 1 . . . . . 185 THR N . 27589 1 456 . 1 1 164 164 ASN H H 1 8.745 0.020 . 1 . . . . . 186 ASN H . 27589 1 457 . 1 1 164 164 ASN C C 13 175.880 0.3 . 1 . . . . . 186 ASN C . 27589 1 458 . 1 1 164 164 ASN CA C 13 52.134 0.3 . 1 . . . . . 186 ASN CA . 27589 1 459 . 1 1 164 164 ASN CB C 13 44.719 0.3 . 1 . . . . . 186 ASN CB . 27589 1 460 . 1 1 164 164 ASN N N 15 125.469 0.3 . 1 . . . . . 186 ASN N . 27589 1 461 . 1 1 165 165 THR H H 1 7.483 0.020 . 1 . . . . . 187 THR H . 27589 1 462 . 1 1 165 165 THR C C 13 174.265 0.3 . 1 . . . . . 187 THR C . 27589 1 463 . 1 1 165 165 THR CA C 13 65.690 0.3 . 1 . . . . . 187 THR CA . 27589 1 464 . 1 1 165 165 THR CB C 13 68.220 0.3 . 1 . . . . . 187 THR CB . 27589 1 465 . 1 1 165 165 THR N N 15 117.594 0.3 . 1 . . . . . 187 THR N . 27589 1 466 . 1 1 166 166 THR H H 1 7.542 0.020 . 1 . . . . . 188 THR H . 27589 1 467 . 1 1 166 166 THR C C 13 173.940 0.3 . 1 . . . . . 188 THR C . 27589 1 468 . 1 1 166 166 THR CA C 13 61.868 0.3 . 1 . . . . . 188 THR CA . 27589 1 469 . 1 1 166 166 THR CB C 13 71.017 0.3 . 1 . . . . . 188 THR CB . 27589 1 470 . 1 1 166 166 THR N N 15 107.994 0.3 . 1 . . . . . 188 THR N . 27589 1 471 . 1 1 167 167 ASP H H 1 8.283 0.020 . 1 . . . . . 189 ASP H . 27589 1 472 . 1 1 167 167 ASP C C 13 177.639 0.3 . 1 . . . . . 189 ASP C . 27589 1 473 . 1 1 167 167 ASP CA C 13 53.658 0.3 . 1 . . . . . 189 ASP CA . 27589 1 474 . 1 1 167 167 ASP CB C 13 41.959 0.3 . 1 . . . . . 189 ASP CB . 27589 1 475 . 1 1 167 167 ASP N N 15 126.058 0.3 . 1 . . . . . 189 ASP N . 27589 1 476 . 1 1 168 168 VAL H H 1 9.091 0.020 . 1 . . . . . 190 VAL H . 27589 1 477 . 1 1 168 168 VAL C C 13 177.661 0.3 . 1 . . . . . 190 VAL C . 27589 1 478 . 1 1 168 168 VAL CA C 13 64.558 0.3 . 1 . . . . . 190 VAL CA . 27589 1 479 . 1 1 168 168 VAL CB C 13 30.541 0.3 . 1 . . . . . 190 VAL CB . 27589 1 480 . 1 1 168 168 VAL N N 15 123.231 0.3 . 1 . . . . . 190 VAL N . 27589 1 481 . 1 1 169 169 ALA H H 1 9.317 0.020 . 1 . . . . . 191 ALA H . 27589 1 482 . 1 1 169 169 ALA C C 13 175.353 0.3 . 1 . . . . . 191 ALA C . 27589 1 483 . 1 1 169 169 ALA CA C 13 51.272 0.3 . 1 . . . . . 191 ALA CA . 27589 1 484 . 1 1 169 169 ALA CB C 13 18.515 0.3 . 1 . . . . . 191 ALA CB . 27589 1 485 . 1 1 169 169 ALA N N 15 127.476 0.3 . 1 . . . . . 191 ALA N . 27589 1 486 . 1 1 170 170 THR H H 1 6.996 0.020 . 1 . . . . . 192 THR H . 27589 1 487 . 1 1 170 170 THR C C 13 174.762 0.3 . 1 . . . . . 192 THR C . 27589 1 488 . 1 1 170 170 THR CA C 13 62.769 0.3 . 1 . . . . . 192 THR CA . 27589 1 489 . 1 1 170 170 THR CB C 13 68.531 0.3 . 1 . . . . . 192 THR CB . 27589 1 490 . 1 1 170 170 THR N N 15 111.512 0.3 . 1 . . . . . 192 THR N . 27589 1 491 . 1 1 171 171 PHE H H 1 9.382 0.020 . 1 . . . . . 193 PHE H . 27589 1 492 . 1 1 171 171 PHE C C 13 174.301 0.3 . 1 . . . . . 193 PHE C . 27589 1 493 . 1 1 171 171 PHE CA C 13 60.566 0.3 . 1 . . . . . 193 PHE CA . 27589 1 494 . 1 1 171 171 PHE CB C 13 37.431 0.3 . 1 . . . . . 193 PHE CB . 27589 1 495 . 1 1 171 171 PHE N N 15 124.524 0.3 . 1 . . . . . 193 PHE N . 27589 1 496 . 1 1 172 172 LYS H H 1 8.457 0.020 . 1 . . . . . 194 LYS H . 27589 1 497 . 1 1 172 172 LYS C C 13 174.265 0.3 . 1 . . . . . 194 LYS C . 27589 1 498 . 1 1 172 172 LYS CA C 13 54.230 0.3 . 1 . . . . . 194 LYS CA . 27589 1 499 . 1 1 172 172 LYS CB C 13 37.377 0.3 . 1 . . . . . 194 LYS CB . 27589 1 500 . 1 1 172 172 LYS CG C 13 25.164 0.3 . 1 . . . . . 194 LYS CG . 27589 1 501 . 1 1 172 172 LYS CD C 13 29.210 0.3 . 1 . . . . . 194 LYS CD . 27589 1 502 . 1 1 172 172 LYS CE C 13 41.953 0.3 . 1 . . . . . 194 LYS CE . 27589 1 503 . 1 1 172 172 LYS N N 15 122.533 0.3 . 1 . . . . . 194 LYS N . 27589 1 504 . 1 1 173 173 SER H H 1 9.225 0.020 . 1 . . . . . 195 SER H . 27589 1 505 . 1 1 173 173 SER C C 13 176.752 0.3 . 1 . . . . . 195 SER C . 27589 1 506 . 1 1 173 173 SER CA C 13 57.306 0.3 . 1 . . . . . 195 SER CA . 27589 1 507 . 1 1 173 173 SER CB C 13 62.286 0.3 . 1 . . . . . 195 SER CB . 27589 1 508 . 1 1 173 173 SER N N 15 126.479 0.3 . 1 . . . . . 195 SER N . 27589 1 509 . 1 1 174 174 VAL H H 1 5.893 0.020 . 1 . . . . . 196 VAL H . 27589 1 510 . 1 1 174 174 VAL C C 13 176.256 0.3 . 1 . . . . . 196 VAL C . 27589 1 511 . 1 1 174 174 VAL CA C 13 63.212 0.3 . 1 . . . . . 196 VAL CA . 27589 1 512 . 1 1 174 174 VAL CB C 13 30.947 0.3 . 1 . . . . . 196 VAL CB . 27589 1 513 . 1 1 174 174 VAL CG1 C 13 20.624 0.3 . 1 . . . . . 196 VAL CG1 . 27589 1 514 . 1 1 174 174 VAL N N 15 112.141 0.3 . 1 . . . . . 196 VAL N . 27589 1 515 . 1 1 175 175 ASN H H 1 9.611 0.020 . 1 . . . . . 197 ASN H . 27589 1 516 . 1 1 175 175 ASN C C 13 176.419 0.3 . 1 . . . . . 197 ASN C . 27589 1 517 . 1 1 175 175 ASN CA C 13 54.746 0.3 . 1 . . . . . 197 ASN CA . 27589 1 518 . 1 1 175 175 ASN CB C 13 40.146 0.3 . 1 . . . . . 197 ASN CB . 27589 1 519 . 1 1 175 175 ASN N N 15 118.373 0.3 . 1 . . . . . 197 ASN N . 27589 1 520 . 1 1 176 176 TYR H H 1 9.014 0.020 . 1 . . . . . 198 TYR H . 27589 1 521 . 1 1 176 176 TYR C C 13 173.992 0.3 . 1 . . . . . 198 TYR C . 27589 1 522 . 1 1 176 176 TYR CA C 13 58.203 0.3 . 1 . . . . . 198 TYR CA . 27589 1 523 . 1 1 176 176 TYR CB C 13 39.413 0.3 . 1 . . . . . 198 TYR CB . 27589 1 524 . 1 1 176 176 TYR N N 15 118.943 0.3 . 1 . . . . . 198 TYR N . 27589 1 525 . 1 1 177 177 GLY H H 1 7.304 0.020 . 1 . . . . . 199 GLY H . 27589 1 526 . 1 1 177 177 GLY CA C 13 44.534 0.3 . 1 . . . . . 199 GLY CA . 27589 1 527 . 1 1 177 177 GLY N N 15 105.856 0.3 . 1 . . . . . 199 GLY N . 27589 1 528 . 1 1 184 184 ASN H H 1 9.628 0.020 . 1 . . . . . 206 ASN H . 27589 1 529 . 1 1 184 184 ASN C C 13 174.505 0.3 . 1 . . . . . 206 ASN C . 27589 1 530 . 1 1 184 184 ASN CA C 13 53.327 0.3 . 1 . . . . . 206 ASN CA . 27589 1 531 . 1 1 184 184 ASN CB C 13 36.471 0.3 . 1 . . . . . 206 ASN CB . 27589 1 532 . 1 1 184 184 ASN N N 15 128.105 0.3 . 1 . . . . . 206 ASN N . 27589 1 533 . 1 1 185 185 GLY H H 1 8.638 0.020 . 1 . . . . . 207 GLY H . 27589 1 534 . 1 1 185 185 GLY C C 13 171.071 0.3 . 1 . . . . . 207 GLY C . 27589 1 535 . 1 1 185 185 GLY CA C 13 45.386 0.3 . 1 . . . . . 207 GLY CA . 27589 1 536 . 1 1 185 185 GLY N N 15 102.598 0.3 . 1 . . . . . 207 GLY N . 27589 1 537 . 1 1 186 186 LYS H H 1 7.518 0.020 . 1 . . . . . 208 LYS H . 27589 1 538 . 1 1 186 186 LYS C C 13 174.582 0.3 . 1 . . . . . 208 LYS C . 27589 1 539 . 1 1 186 186 LYS CA C 13 53.840 0.3 . 1 . . . . . 208 LYS CA . 27589 1 540 . 1 1 186 186 LYS CB C 13 34.379 0.3 . 1 . . . . . 208 LYS CB . 27589 1 541 . 1 1 186 186 LYS CG C 13 24.300 0.3 . 1 . . . . . 208 LYS CG . 27589 1 542 . 1 1 186 186 LYS CD C 13 28.659 0.3 . 1 . . . . . 208 LYS CD . 27589 1 543 . 1 1 186 186 LYS CE C 13 41.752 0.3 . 1 . . . . . 208 LYS CE . 27589 1 544 . 1 1 186 186 LYS N N 15 119.313 0.3 . 1 . . . . . 208 LYS N . 27589 1 545 . 1 1 187 187 ILE H H 1 8.846 0.020 . 1 . . . . . 209 ILE H . 27589 1 546 . 1 1 187 187 ILE C C 13 175.000 0.3 . 1 . . . . . 209 ILE C . 27589 1 547 . 1 1 187 187 ILE CA C 13 58.537 0.3 . 1 . . . . . 209 ILE CA . 27589 1 548 . 1 1 187 187 ILE CB C 13 38.874 0.3 . 1 . . . . . 209 ILE CB . 27589 1 549 . 1 1 187 187 ILE N N 15 124.138 0.3 . 1 . . . . . 209 ILE N . 27589 1 550 . 1 1 188 188 ASP H H 1 8.330 0.020 . 1 . . . . . 210 ASP H . 27589 1 551 . 1 1 188 188 ASP C C 13 175.716 0.3 . 1 . . . . . 210 ASP C . 27589 1 552 . 1 1 188 188 ASP CA C 13 51.479 0.3 . 1 . . . . . 210 ASP CA . 27589 1 553 . 1 1 188 188 ASP CB C 13 40.623 0.3 . 1 . . . . . 210 ASP CB . 27589 1 554 . 1 1 188 188 ASP N N 15 127.635 0.3 . 1 . . . . . 210 ASP N . 27589 1 555 . 1 1 189 189 TYR H H 1 8.473 0.020 . 1 . . . . . 211 TYR H . 27589 1 556 . 1 1 189 189 TYR C C 13 175.873 0.3 . 1 . . . . . 211 TYR C . 27589 1 557 . 1 1 189 189 TYR CA C 13 58.566 0.3 . 1 . . . . . 211 TYR CA . 27589 1 558 . 1 1 189 189 TYR CB C 13 39.191 0.3 . 1 . . . . . 211 TYR CB . 27589 1 559 . 1 1 189 189 TYR N N 15 125.563 0.3 . 1 . . . . . 211 TYR N . 27589 1 560 . 1 1 190 190 GLN H H 1 8.555 0.020 . 1 . . . . . 212 GLN H . 27589 1 561 . 1 1 190 190 GLN C C 13 177.546 0.3 . 1 . . . . . 212 GLN C . 27589 1 562 . 1 1 190 190 GLN CA C 13 58.407 0.3 . 1 . . . . . 212 GLN CA . 27589 1 563 . 1 1 190 190 GLN CB C 13 25.902 0.3 . 1 . . . . . 212 GLN CB . 27589 1 564 . 1 1 190 190 GLN N N 15 120.551 0.3 . 1 . . . . . 212 GLN N . 27589 1 565 . 1 1 192 192 THR H H 1 8.244 0.020 . 1 . . . . . 214 THR H . 27589 1 566 . 1 1 192 192 THR C C 13 178.158 0.3 . 1 . . . . . 214 THR C . 27589 1 567 . 1 1 192 192 THR CA C 13 58.535 0.3 . 1 . . . . . 214 THR CA . 27589 1 568 . 1 1 192 192 THR CB C 13 72.130 0.3 . 1 . . . . . 214 THR CB . 27589 1 569 . 1 1 192 192 THR N N 15 114.904 0.3 . 1 . . . . . 214 THR N . 27589 1 570 . 1 1 193 193 PRO C C 13 175.716 0.3 . 1 . . . . . 215 PRO C . 27589 1 571 . 1 1 193 193 PRO CA C 13 63.617 0.3 . 1 . . . . . 215 PRO CA . 27589 1 572 . 1 1 193 193 PRO CB C 13 31.351 0.3 . 1 . . . . . 215 PRO CB . 27589 1 573 . 1 1 194 194 ALA H H 1 7.407 0.020 . 1 . . . . . 216 ALA H . 27589 1 574 . 1 1 194 194 ALA C C 13 178.884 0.3 . 1 . . . . . 216 ALA C . 27589 1 575 . 1 1 194 194 ALA CA C 13 52.783 0.3 . 1 . . . . . 216 ALA CA . 27589 1 576 . 1 1 194 194 ALA CB C 13 20.316 0.3 . 1 . . . . . 216 ALA CB . 27589 1 577 . 1 1 194 194 ALA N N 15 123.815 0.3 . 1 . . . . . 216 ALA N . 27589 1 578 . 1 1 195 195 ARG H H 1 7.957 0.020 . 1 . . . . . 217 ARG H . 27589 1 579 . 1 1 195 195 ARG C C 13 176.258 0.3 . 1 . . . . . 217 ARG C . 27589 1 580 . 1 1 195 195 ARG CA C 13 55.108 0.3 . 1 . . . . . 217 ARG CA . 27589 1 581 . 1 1 195 195 ARG CB C 13 29.322 0.3 . 1 . . . . . 217 ARG CB . 27589 1 582 . 1 1 195 195 ARG N N 15 116.120 0.3 . 1 . . . . . 217 ARG N . 27589 1 583 . 1 1 196 196 LYS H H 1 7.264 0.020 . 1 . . . . . 218 LYS H . 27589 1 584 . 1 1 196 196 LYS C C 13 174.605 0.3 . 1 . . . . . 218 LYS C . 27589 1 585 . 1 1 196 196 LYS CA C 13 56.997 0.3 . 1 . . . . . 218 LYS CA . 27589 1 586 . 1 1 196 196 LYS CB C 13 33.430 0.3 . 1 . . . . . 218 LYS CB . 27589 1 587 . 1 1 196 196 LYS CG C 13 25.426 0.3 . 1 . . . . . 218 LYS CG . 27589 1 588 . 1 1 196 196 LYS CD C 13 28.604 0.3 . 1 . . . . . 218 LYS CD . 27589 1 589 . 1 1 196 196 LYS CE C 13 41.589 0.3 . 1 . . . . . 218 LYS CE . 27589 1 590 . 1 1 196 196 LYS N N 15 121.294 0.3 . 1 . . . . . 218 LYS N . 27589 1 591 . 1 1 197 197 HIS H H 1 7.806 0.020 . 1 . . . . . 219 HIS H . 27589 1 592 . 1 1 197 197 HIS C C 13 174.019 0.3 . 1 . . . . . 219 HIS C . 27589 1 593 . 1 1 197 197 HIS CA C 13 53.861 0.3 . 1 . . . . . 219 HIS CA . 27589 1 594 . 1 1 197 197 HIS CB C 13 32.219 0.3 . 1 . . . . . 219 HIS CB . 27589 1 595 . 1 1 197 197 HIS N N 15 115.864 0.3 . 1 . . . . . 219 HIS N . 27589 1 596 . 1 1 198 198 THR H H 1 9.615 0.020 . 1 . . . . . 220 THR H . 27589 1 597 . 1 1 198 198 THR C C 13 176.907 0.3 . 1 . . . . . 220 THR C . 27589 1 598 . 1 1 198 198 THR CA C 13 62.253 0.3 . 1 . . . . . 220 THR CA . 27589 1 599 . 1 1 198 198 THR CB C 13 70.838 0.3 . 1 . . . . . 220 THR CB . 27589 1 600 . 1 1 198 198 THR CG2 C 13 20.339 0.3 . 1 . . . . . 220 THR CG2 . 27589 1 601 . 1 1 198 198 THR N N 15 109.697 0.3 . 1 . . . . . 220 THR N . 27589 1 602 . 1 1 199 199 SER H H 1 8.431 0.020 . 1 . . . . . 221 SER H . 27589 1 603 . 1 1 199 199 SER C C 13 174.486 0.3 . 1 . . . . . 221 SER C . 27589 1 604 . 1 1 199 199 SER CA C 13 60.470 0.3 . 1 . . . . . 221 SER CA . 27589 1 605 . 1 1 199 199 SER CB C 13 62.214 0.3 . 1 . . . . . 221 SER CB . 27589 1 606 . 1 1 199 199 SER N N 15 118.727 0.3 . 1 . . . . . 221 SER N . 27589 1 607 . 1 1 200 200 ASP H H 1 8.754 0.020 . 1 . . . . . 222 ASP H . 27589 1 608 . 1 1 200 200 ASP C C 13 174.987 0.3 . 1 . . . . . 222 ASP C . 27589 1 609 . 1 1 200 200 ASP CA C 13 53.776 0.3 . 1 . . . . . 222 ASP CA . 27589 1 610 . 1 1 200 200 ASP CB C 13 41.152 0.3 . 1 . . . . . 222 ASP CB . 27589 1 611 . 1 1 200 200 ASP N N 15 120.639 0.3 . 1 . . . . . 222 ASP N . 27589 1 612 . 1 1 201 201 THR H H 1 7.326 0.020 . 1 . . . . . 223 THR H . 27589 1 613 . 1 1 201 201 THR C C 13 172.266 0.3 . 1 . . . . . 223 THR C . 27589 1 614 . 1 1 201 201 THR CA C 13 57.405 0.3 . 1 . . . . . 223 THR CA . 27589 1 615 . 1 1 201 201 THR CB C 13 66.780 0.3 . 1 . . . . . 223 THR CB . 27589 1 616 . 1 1 201 201 THR CG2 C 13 20.413 0.3 . 1 . . . . . 223 THR CG2 . 27589 1 617 . 1 1 201 201 THR N N 15 109.902 0.3 . 1 . . . . . 223 THR N . 27589 1 618 . 1 1 203 203 PHE H H 1 6.520 0.020 . 1 . . . . . 225 PHE H . 27589 1 619 . 1 1 203 203 PHE C C 13 173.414 0.3 . 1 . . . . . 225 PHE C . 27589 1 620 . 1 1 203 203 PHE CA C 13 56.090 0.3 . 1 . . . . . 225 PHE CA . 27589 1 621 . 1 1 203 203 PHE CB C 13 37.440 0.3 . 1 . . . . . 225 PHE CB . 27589 1 622 . 1 1 203 203 PHE N N 15 119.718 0.3 . 1 . . . . . 225 PHE N . 27589 1 623 . 1 1 204 204 ASP H H 1 7.890 0.020 . 1 . . . . . 226 ASP H . 27589 1 624 . 1 1 204 204 ASP C C 13 176.582 0.3 . 1 . . . . . 226 ASP C . 27589 1 625 . 1 1 204 204 ASP CA C 13 52.051 0.3 . 1 . . . . . 226 ASP CA . 27589 1 626 . 1 1 204 204 ASP CB C 13 42.403 0.3 . 1 . . . . . 226 ASP CB . 27589 1 627 . 1 1 204 204 ASP N N 15 122.853 0.3 . 1 . . . . . 226 ASP N . 27589 1 628 . 1 1 205 205 VAL H H 1 8.815 0.020 . 1 . . . . . 227 VAL H . 27589 1 629 . 1 1 205 205 VAL C C 13 175.767 0.3 . 1 . . . . . 227 VAL C . 27589 1 630 . 1 1 205 205 VAL CA C 13 59.820 0.3 . 1 . . . . . 227 VAL CA . 27589 1 631 . 1 1 205 205 VAL CB C 13 30.062 0.3 . 1 . . . . . 227 VAL CB . 27589 1 632 . 1 1 205 205 VAL N N 15 118.629 0.3 . 1 . . . . . 227 VAL N . 27589 1 633 . 1 1 206 206 SER H H 1 8.180 0.020 . 1 . . . . . 228 SER H . 27589 1 634 . 1 1 206 206 SER C C 13 177.913 0.3 . 1 . . . . . 228 SER C . 27589 1 635 . 1 1 206 206 SER CA C 13 62.102 0.3 . 1 . . . . . 228 SER CA . 27589 1 636 . 1 1 206 206 SER CB C 13 62.988 0.3 . 1 . . . . . 228 SER CB . 27589 1 637 . 1 1 206 206 SER N N 15 117.669 0.3 . 1 . . . . . 228 SER N . 27589 1 638 . 1 1 213 213 LYS H H 1 9.011 0.020 . 1 . . . . . 235 LYS H . 27589 1 639 . 1 1 213 213 LYS C C 13 175.571 0.3 . 1 . . . . . 235 LYS C . 27589 1 640 . 1 1 213 213 LYS CA C 13 55.850 0.3 . 1 . . . . . 235 LYS CA . 27589 1 641 . 1 1 213 213 LYS CB C 13 31.224 0.3 . 1 . . . . . 235 LYS CB . 27589 1 642 . 1 1 213 213 LYS CG C 13 24.232 0.3 . 1 . . . . . 235 LYS CG . 27589 1 643 . 1 1 213 213 LYS CD C 13 28.672 0.3 . 1 . . . . . 235 LYS CD . 27589 1 644 . 1 1 213 213 LYS CE C 13 41.352 0.3 . 1 . . . . . 235 LYS CE . 27589 1 645 . 1 1 213 213 LYS N N 15 123.887 0.3 . 1 . . . . . 235 LYS N . 27589 1 646 . 1 1 214 214 VAL H H 1 9.303 0.020 . 1 . . . . . 236 VAL H . 27589 1 647 . 1 1 214 214 VAL C C 13 174.465 0.3 . 1 . . . . . 236 VAL C . 27589 1 648 . 1 1 214 214 VAL CA C 13 59.735 0.3 . 1 . . . . . 236 VAL CA . 27589 1 649 . 1 1 214 214 VAL CB C 13 35.068 0.3 . 1 . . . . . 236 VAL CB . 27589 1 650 . 1 1 214 214 VAL N N 15 125.934 0.3 . 1 . . . . . 236 VAL N . 27589 1 651 . 1 1 215 215 GLY H H 1 8.629 0.020 . 1 . . . . . 237 GLY H . 27589 1 652 . 1 1 215 215 GLY C C 13 176.248 0.3 . 1 . . . . . 237 GLY C . 27589 1 653 . 1 1 215 215 GLY CA C 13 46.169 0.3 . 1 . . . . . 237 GLY CA . 27589 1 654 . 1 1 215 215 GLY N N 15 116.695 0.3 . 1 . . . . . 237 GLY N . 27589 1 655 . 1 1 216 216 ILE H H 1 9.556 0.020 . 1 . . . . . 238 ILE H . 27589 1 656 . 1 1 216 216 ILE CA C 13 63.431 0.3 . 1 . . . . . 238 ILE CA . 27589 1 657 . 1 1 216 216 ILE CB C 13 37.004 0.3 . 1 . . . . . 238 ILE CB . 27589 1 658 . 1 1 216 216 ILE CG1 C 13 23.842 0.3 . 1 . . . . . 238 ILE CG1 . 27589 1 659 . 1 1 216 216 ILE CG2 C 13 16.772 0.3 . 1 . . . . . 238 ILE CG2 . 27589 1 660 . 1 1 216 216 ILE CD1 C 13 14.441 0.3 . 1 . . . . . 238 ILE CD1 . 27589 1 661 . 1 1 216 216 ILE N N 15 118.247 0.3 . 1 . . . . . 238 ILE N . 27589 1 662 . 1 1 222 222 ASN H H 1 7.790 0.020 . 1 . . . . . 244 ASN H . 27589 1 663 . 1 1 222 222 ASN C C 13 175.130 0.3 . 1 . . . . . 244 ASN C . 27589 1 664 . 1 1 222 222 ASN CA C 13 52.605 0.3 . 1 . . . . . 244 ASN CA . 27589 1 665 . 1 1 222 222 ASN CB C 13 43.852 0.3 . 1 . . . . . 244 ASN CB . 27589 1 666 . 1 1 222 222 ASN N N 15 117.665 0.3 . 1 . . . . . 244 ASN N . 27589 1 667 . 1 1 223 223 ALA H H 1 5.302 0.020 . 1 . . . . . 245 ALA H . 27589 1 668 . 1 1 223 223 ALA C C 13 175.538 0.3 . 1 . . . . . 245 ALA C . 27589 1 669 . 1 1 223 223 ALA CA C 13 52.995 0.3 . 1 . . . . . 245 ALA CA . 27589 1 670 . 1 1 223 223 ALA CB C 13 16.835 0.3 . 1 . . . . . 245 ALA CB . 27589 1 671 . 1 1 223 223 ALA N N 15 119.093 0.3 . 1 . . . . . 245 ALA N . 27589 1 672 . 1 1 227 227 PRO CA C 13 66.606 0.3 . 1 . . . . . 249 PRO CA . 27589 1 673 . 1 1 227 227 PRO CB C 13 31.238 0.3 . 1 . . . . . 249 PRO CB . 27589 1 674 . 1 1 227 227 PRO CG C 13 28.183 0.3 . 1 . . . . . 249 PRO CG . 27589 1 675 . 1 1 227 227 PRO CD C 13 49.341 0.3 . 1 . . . . . 249 PRO CD . 27589 1 676 . 1 1 228 228 ALA H H 1 7.397 0.020 . 1 . . . . . 250 ALA H . 27589 1 677 . 1 1 228 228 ALA C C 13 177.713 0.3 . 1 . . . . . 250 ALA C . 27589 1 678 . 1 1 228 228 ALA CA C 13 54.463 0.3 . 1 . . . . . 250 ALA CA . 27589 1 679 . 1 1 228 228 ALA CB C 13 17.096 0.3 . 1 . . . . . 250 ALA CB . 27589 1 680 . 1 1 228 228 ALA N N 15 116.448 0.3 . 1 . . . . . 250 ALA N . 27589 1 681 . 1 1 229 229 LYS H H 1 8.473 0.020 . 1 . . . . . 251 LYS H . 27589 1 682 . 1 1 229 229 LYS C C 13 177.325 0.3 . 1 . . . . . 251 LYS C . 27589 1 683 . 1 1 229 229 LYS CA C 13 59.071 0.3 . 1 . . . . . 251 LYS CA . 27589 1 684 . 1 1 229 229 LYS CB C 13 32.423 0.3 . 1 . . . . . 251 LYS CB . 27589 1 685 . 1 1 229 229 LYS CG C 13 25.611 0.3 . 1 . . . . . 251 LYS CG . 27589 1 686 . 1 1 229 229 LYS CD C 13 28.963 0.3 . 1 . . . . . 251 LYS CD . 27589 1 687 . 1 1 229 229 LYS CE C 13 41.648 0.3 . 1 . . . . . 251 LYS CE . 27589 1 688 . 1 1 229 229 LYS N N 15 117.680 0.3 . 1 . . . . . 251 LYS N . 27589 1 689 . 1 1 230 230 ALA H H 1 8.338 0.020 . 1 . . . . . 252 ALA H . 27589 1 690 . 1 1 230 230 ALA C C 13 177.498 0.3 . 1 . . . . . 252 ALA C . 27589 1 691 . 1 1 230 230 ALA CA C 13 54.221 0.3 . 1 . . . . . 252 ALA CA . 27589 1 692 . 1 1 230 230 ALA CB C 13 17.920 0.3 . 1 . . . . . 252 ALA CB . 27589 1 693 . 1 1 230 230 ALA N N 15 119.127 0.3 . 1 . . . . . 252 ALA N . 27589 1 694 . 1 1 231 231 LEU H H 1 10.245 0.020 . 1 . . . . . 253 LEU H . 27589 1 695 . 1 1 231 231 LEU C C 13 176.280 0.3 . 1 . . . . . 253 LEU C . 27589 1 696 . 1 1 231 231 LEU CA C 13 54.279 0.3 . 1 . . . . . 253 LEU CA . 27589 1 697 . 1 1 231 231 LEU CB C 13 38.346 0.3 . 1 . . . . . 253 LEU CB . 27589 1 698 . 1 1 231 231 LEU N N 15 120.634 0.3 . 1 . . . . . 253 LEU N . 27589 1 699 . 1 1 233 233 ASP H H 1 8.977 0.020 . 1 . . . . . 255 ASP H . 27589 1 700 . 1 1 233 233 ASP C C 13 176.716 0.3 . 1 . . . . . 255 ASP C . 27589 1 701 . 1 1 233 233 ASP CA C 13 56.396 0.3 . 1 . . . . . 255 ASP CA . 27589 1 702 . 1 1 233 233 ASP CB C 13 39.158 0.3 . 1 . . . . . 255 ASP CB . 27589 1 703 . 1 1 233 233 ASP N N 15 123.042 0.3 . 1 . . . . . 255 ASP N . 27589 1 704 . 1 1 234 234 ALA H H 1 7.197 0.020 . 1 . . . . . 256 ALA H . 27589 1 705 . 1 1 234 234 ALA C C 13 177.124 0.3 . 1 . . . . . 256 ALA C . 27589 1 706 . 1 1 234 234 ALA CA C 13 51.427 0.3 . 1 . . . . . 256 ALA CA . 27589 1 707 . 1 1 234 234 ALA CB C 13 19.098 0.3 . 1 . . . . . 256 ALA CB . 27589 1 708 . 1 1 234 234 ALA N N 15 119.332 0.3 . 1 . . . . . 256 ALA N . 27589 1 709 . 1 1 235 235 GLY H H 1 8.132 0.020 . 1 . . . . . 257 GLY H . 27589 1 710 . 1 1 235 235 GLY C C 13 174.592 0.3 . 1 . . . . . 257 GLY C . 27589 1 711 . 1 1 235 235 GLY CA C 13 45.681 0.3 . 1 . . . . . 257 GLY CA . 27589 1 712 . 1 1 235 235 GLY N N 15 107.989 0.3 . 1 . . . . . 257 GLY N . 27589 1 713 . 1 1 236 236 TYR H H 1 7.857 0.020 . 1 . . . . . 258 TYR H . 27589 1 714 . 1 1 236 236 TYR C C 13 174.454 0.3 . 1 . . . . . 258 TYR C . 27589 1 715 . 1 1 236 236 TYR CA C 13 61.249 0.3 . 1 . . . . . 258 TYR CA . 27589 1 716 . 1 1 236 236 TYR CB C 13 35.974 0.3 . 1 . . . . . 258 TYR CB . 27589 1 717 . 1 1 236 236 TYR N N 15 120.652 0.3 . 1 . . . . . 258 TYR N . 27589 1 718 . 1 1 237 237 ASP H H 1 7.920 0.020 . 1 . . . . . 259 ASP H . 27589 1 719 . 1 1 237 237 ASP C C 13 176.198 0.3 . 1 . . . . . 259 ASP C . 27589 1 720 . 1 1 237 237 ASP CA C 13 56.546 0.3 . 1 . . . . . 259 ASP CA . 27589 1 721 . 1 1 237 237 ASP CB C 13 42.947 0.3 . 1 . . . . . 259 ASP CB . 27589 1 722 . 1 1 237 237 ASP N N 15 120.962 0.3 . 1 . . . . . 259 ASP N . 27589 1 723 . 1 1 242 242 ALA CA C 13 49.354 0.3 . 1 . . . . . 264 ALA CA . 27589 1 724 . 1 1 242 242 ALA CB C 13 16.353 0.3 . 1 . . . . . 264 ALA CB . 27589 1 725 . 1 1 243 243 GLY CA C 13 44.326 0.3 . 1 . . . . . 265 GLY CA . 27589 1 726 . 1 1 243 243 GLY N N 15 110.853 0.3 . 1 . . . . . 265 GLY N . 27589 1 727 . 1 1 244 244 VAL H H 1 8.398 0.020 . 1 . . . . . 266 VAL H . 27589 1 728 . 1 1 244 244 VAL C C 13 175.135 0.3 . 1 . . . . . 266 VAL C . 27589 1 729 . 1 1 244 244 VAL CA C 13 58.649 0.3 . 1 . . . . . 266 VAL CA . 27589 1 730 . 1 1 244 244 VAL CB C 13 31.700 0.3 . 1 . . . . . 266 VAL CB . 27589 1 731 . 1 1 244 244 VAL N N 15 110.819 0.3 . 1 . . . . . 266 VAL N . 27589 1 732 . 1 1 245 245 GLY H H 1 9.293 0.020 . 1 . . . . . 267 GLY H . 27589 1 733 . 1 1 245 245 GLY C C 13 173.532 0.3 . 1 . . . . . 267 GLY C . 27589 1 734 . 1 1 245 245 GLY CA C 13 46.170 0.3 . 1 . . . . . 267 GLY CA . 27589 1 735 . 1 1 245 245 GLY N N 15 110.620 0.3 . 1 . . . . . 267 GLY N . 27589 1 736 . 1 1 246 246 ASN H H 1 9.570 0.020 . 1 . . . . . 268 ASN H . 27589 1 737 . 1 1 246 246 ASN C C 13 174.786 0.3 . 1 . . . . . 268 ASN C . 27589 1 738 . 1 1 246 246 ASN CA C 13 50.466 0.3 . 1 . . . . . 268 ASN CA . 27589 1 739 . 1 1 246 246 ASN CB C 13 34.204 0.3 . 1 . . . . . 268 ASN CB . 27589 1 740 . 1 1 246 246 ASN N N 15 130.373 0.3 . 1 . . . . . 268 ASN N . 27589 1 741 . 1 1 247 247 GLY H H 1 7.776 0.020 . 1 . . . . . 269 GLY H . 27589 1 742 . 1 1 247 247 GLY C C 13 175.641 0.3 . 1 . . . . . 269 GLY C . 27589 1 743 . 1 1 247 247 GLY CA C 13 46.398 0.3 . 1 . . . . . 269 GLY CA . 27589 1 744 . 1 1 247 247 GLY N N 15 105.337 0.3 . 1 . . . . . 269 GLY N . 27589 1 745 . 1 1 248 248 ASN H H 1 8.956 0.020 . 1 . . . . . 270 ASN H . 27589 1 746 . 1 1 248 248 ASN C C 13 173.463 0.3 . 1 . . . . . 270 ASN C . 27589 1 747 . 1 1 248 248 ASN CA C 13 53.369 0.3 . 1 . . . . . 270 ASN CA . 27589 1 748 . 1 1 248 248 ASN CB C 13 39.861 0.3 . 1 . . . . . 270 ASN CB . 27589 1 749 . 1 1 248 248 ASN N N 15 122.965 0.3 . 1 . . . . . 270 ASN N . 27589 1 750 . 1 1 249 249 LEU H H 1 8.499 0.020 . 1 . . . . . 271 LEU H . 27589 1 751 . 1 1 249 249 LEU C C 13 174.515 0.3 . 1 . . . . . 271 LEU C . 27589 1 752 . 1 1 249 249 LEU CA C 13 53.552 0.3 . 1 . . . . . 271 LEU CA . 27589 1 753 . 1 1 249 249 LEU CB C 13 44.550 0.3 . 1 . . . . . 271 LEU CB . 27589 1 754 . 1 1 249 249 LEU N N 15 118.010 0.3 . 1 . . . . . 271 LEU N . 27589 1 755 . 1 1 250 250 TYR H H 1 8.096 0.020 . 1 . . . . . 272 TYR H . 27589 1 756 . 1 1 250 250 TYR C C 13 177.884 0.3 . 1 . . . . . 272 TYR C . 27589 1 757 . 1 1 250 250 TYR CA C 13 58.764 0.3 . 1 . . . . . 272 TYR CA . 27589 1 758 . 1 1 250 250 TYR CB C 13 39.253 0.3 . 1 . . . . . 272 TYR CB . 27589 1 759 . 1 1 250 250 TYR N N 15 123.638 0.3 . 1 . . . . . 272 TYR N . 27589 1 760 . 1 1 251 251 LYS H H 1 7.089 0.020 . 1 . . . . . 273 LYS H . 27589 1 761 . 1 1 251 251 LYS C C 13 175.744 0.3 . 1 . . . . . 273 LYS C . 27589 1 762 . 1 1 251 251 LYS CA C 13 59.775 0.3 . 1 . . . . . 273 LYS CA . 27589 1 763 . 1 1 251 251 LYS CB C 13 31.712 0.3 . 1 . . . . . 273 LYS CB . 27589 1 764 . 1 1 251 251 LYS CG C 13 23.569 0.3 . 1 . . . . . 273 LYS CG . 27589 1 765 . 1 1 251 251 LYS CD C 13 27.539 0.3 . 1 . . . . . 273 LYS CD . 27589 1 766 . 1 1 251 251 LYS CE C 13 41.604 0.3 . 1 . . . . . 273 LYS CE . 27589 1 767 . 1 1 251 251 LYS N N 15 129.382 0.3 . 1 . . . . . 273 LYS N . 27589 1 768 . 1 1 252 252 SER H H 1 6.438 0.020 . 1 . . . . . 274 SER H . 27589 1 769 . 1 1 252 252 SER C C 13 176.340 0.3 . 1 . . . . . 274 SER C . 27589 1 770 . 1 1 252 252 SER CA C 13 61.034 0.3 . 1 . . . . . 274 SER CA . 27589 1 771 . 1 1 252 252 SER CB C 13 62.173 0.3 . 1 . . . . . 274 SER CB . 27589 1 772 . 1 1 252 252 SER N N 15 113.164 0.3 . 1 . . . . . 274 SER N . 27589 1 773 . 1 1 253 253 VAL H H 1 7.326 0.020 . 1 . . . . . 275 VAL H . 27589 1 774 . 1 1 253 253 VAL C C 13 176.502 0.3 . 1 . . . . . 275 VAL C . 27589 1 775 . 1 1 253 253 VAL CA C 13 66.264 0.3 . 1 . . . . . 275 VAL CA . 27589 1 776 . 1 1 253 253 VAL CB C 13 30.903 0.3 . 1 . . . . . 275 VAL CB . 27589 1 777 . 1 1 253 253 VAL CG1 C 13 22.660 0.3 . 1 . . . . . 275 VAL CG1 . 27589 1 778 . 1 1 253 253 VAL CG2 C 13 20.407 0.3 . 1 . . . . . 275 VAL CG2 . 27589 1 779 . 1 1 253 253 VAL N N 15 125.901 0.3 . 1 . . . . . 275 VAL N . 27589 1 780 . 1 1 254 254 PHE H H 1 8.659 0.020 . 1 . . . . . 276 PHE H . 27589 1 781 . 1 1 254 254 PHE C C 13 176.912 0.3 . 1 . . . . . 276 PHE C . 27589 1 782 . 1 1 254 254 PHE CA C 13 60.159 0.3 . 1 . . . . . 276 PHE CA . 27589 1 783 . 1 1 254 254 PHE CB C 13 38.377 0.3 . 1 . . . . . 276 PHE CB . 27589 1 784 . 1 1 254 254 PHE N N 15 121.499 0.3 . 1 . . . . . 276 PHE N . 27589 1 785 . 1 1 255 255 ASP H H 1 8.462 0.020 . 1 . . . . . 277 ASP H . 27589 1 786 . 1 1 255 255 ASP C C 13 178.532 0.3 . 1 . . . . . 277 ASP C . 27589 1 787 . 1 1 255 255 ASP CA C 13 57.437 0.3 . 1 . . . . . 277 ASP CA . 27589 1 788 . 1 1 255 255 ASP CB C 13 40.375 0.3 . 1 . . . . . 277 ASP CB . 27589 1 789 . 1 1 255 255 ASP N N 15 118.207 0.3 . 1 . . . . . 277 ASP N . 27589 1 790 . 1 1 256 256 THR H H 1 7.435 0.020 . 1 . . . . . 278 THR H . 27589 1 791 . 1 1 256 256 THR C C 13 176.628 0.3 . 1 . . . . . 278 THR C . 27589 1 792 . 1 1 256 256 THR CA C 13 66.707 0.3 . 1 . . . . . 278 THR CA . 27589 1 793 . 1 1 256 256 THR CB C 13 69.073 0.3 . 1 . . . . . 278 THR CB . 27589 1 794 . 1 1 256 256 THR CG2 C 13 21.062 0.3 . 1 . . . . . 278 THR CG2 . 27589 1 795 . 1 1 256 256 THR N N 15 116.733 0.3 . 1 . . . . . 278 THR N . 27589 1 796 . 1 1 257 257 LEU H H 1 8.555 0.020 . 1 . . . . . 279 LEU H . 27589 1 797 . 1 1 257 257 LEU C C 13 177.663 0.3 . 1 . . . . . 279 LEU C . 27589 1 798 . 1 1 257 257 LEU CA C 13 57.178 0.3 . 1 . . . . . 279 LEU CA . 27589 1 799 . 1 1 257 257 LEU CB C 13 38.378 0.3 . 1 . . . . . 279 LEU CB . 27589 1 800 . 1 1 257 257 LEU N N 15 122.009 0.3 . 1 . . . . . 279 LEU N . 27589 1 801 . 1 1 258 258 ALA H H 1 9.329 0.020 . 1 . . . . . 280 ALA H . 27589 1 802 . 1 1 258 258 ALA C C 13 180.431 0.3 . 1 . . . . . 280 ALA C . 27589 1 803 . 1 1 258 258 ALA CA C 13 55.042 0.3 . 1 . . . . . 280 ALA CA . 27589 1 804 . 1 1 258 258 ALA CB C 13 17.439 0.3 . 1 . . . . . 280 ALA CB . 27589 1 805 . 1 1 258 258 ALA N N 15 123.811 0.3 . 1 . . . . . 280 ALA N . 27589 1 806 . 1 1 259 259 THR H H 1 7.646 0.020 . 1 . . . . . 281 THR H . 27589 1 807 . 1 1 259 259 THR C C 13 175.857 0.3 . 1 . . . . . 281 THR C . 27589 1 808 . 1 1 259 259 THR CA C 13 66.087 0.3 . 1 . . . . . 281 THR CA . 27589 1 809 . 1 1 259 259 THR CB C 13 68.622 0.3 . 1 . . . . . 281 THR CB . 27589 1 810 . 1 1 259 259 THR N N 15 116.097 0.3 . 1 . . . . . 281 THR N . 27589 1 811 . 1 1 260 260 ALA H H 1 8.027 0.020 . 1 . . . . . 282 ALA H . 27589 1 812 . 1 1 260 260 ALA C C 13 179.231 0.3 . 1 . . . . . 282 ALA C . 27589 1 813 . 1 1 260 260 ALA CA C 13 54.233 0.3 . 1 . . . . . 282 ALA CA . 27589 1 814 . 1 1 260 260 ALA CB C 13 16.848 0.3 . 1 . . . . . 282 ALA CB . 27589 1 815 . 1 1 260 260 ALA N N 15 125.245 0.3 . 1 . . . . . 282 ALA N . 27589 1 816 . 1 1 261 261 ALA H H 1 8.652 0.020 . 1 . . . . . 283 ALA H . 27589 1 817 . 1 1 261 261 ALA C C 13 180.782 0.3 . 1 . . . . . 283 ALA C . 27589 1 818 . 1 1 261 261 ALA CA C 13 53.862 0.3 . 1 . . . . . 283 ALA CA . 27589 1 819 . 1 1 261 261 ALA CB C 13 17.752 0.3 . 1 . . . . . 283 ALA CB . 27589 1 820 . 1 1 261 261 ALA N N 15 122.283 0.3 . 1 . . . . . 283 ALA N . 27589 1 821 . 1 1 262 262 LYS H H 1 7.518 0.020 . 1 . . . . . 284 LYS H . 27589 1 822 . 1 1 262 262 LYS C C 13 176.825 0.3 . 1 . . . . . 284 LYS C . 27589 1 823 . 1 1 262 262 LYS CA C 13 57.464 0.3 . 1 . . . . . 284 LYS CA . 27589 1 824 . 1 1 262 262 LYS CB C 13 32.212 0.3 . 1 . . . . . 284 LYS CB . 27589 1 825 . 1 1 262 262 LYS CG C 13 24.501 0.3 . 1 . . . . . 284 LYS CG . 27589 1 826 . 1 1 262 262 LYS CD C 13 28.905 0.3 . 1 . . . . . 284 LYS CD . 27589 1 827 . 1 1 262 262 LYS CE C 13 41.537 0.3 . 1 . . . . . 284 LYS CE . 27589 1 828 . 1 1 262 262 LYS N N 15 117.926 0.3 . 1 . . . . . 284 LYS N . 27589 1 829 . 1 1 263 263 THR H H 1 7.684 0.020 . 1 . . . . . 285 THR H . 27589 1 830 . 1 1 263 263 THR C C 13 174.253 0.3 . 1 . . . . . 285 THR C . 27589 1 831 . 1 1 263 263 THR CA C 13 60.966 0.3 . 1 . . . . . 285 THR CA . 27589 1 832 . 1 1 263 263 THR CB C 13 69.474 0.3 . 1 . . . . . 285 THR CB . 27589 1 833 . 1 1 263 263 THR CG2 C 13 19.235 0.3 . 1 . . . . . 285 THR CG2 . 27589 1 834 . 1 1 263 263 THR N N 15 108.194 0.3 . 1 . . . . . 285 THR N . 27589 1 835 . 1 1 264 264 GLY H H 1 7.550 0.020 . 1 . . . . . 286 GLY H . 27589 1 836 . 1 1 264 264 GLY C C 13 173.978 0.3 . 1 . . . . . 286 GLY C . 27589 1 837 . 1 1 264 264 GLY CA C 13 44.975 0.3 . 1 . . . . . 286 GLY CA . 27589 1 838 . 1 1 264 264 GLY N N 15 107.957 0.3 . 1 . . . . . 286 GLY N . 27589 1 839 . 1 1 265 265 THR H H 1 8.015 0.020 . 1 . . . . . 287 THR H . 27589 1 840 . 1 1 265 265 THR C C 13 172.355 0.3 . 1 . . . . . 287 THR C . 27589 1 841 . 1 1 265 265 THR CA C 13 63.683 0.3 . 1 . . . . . 287 THR CA . 27589 1 842 . 1 1 265 265 THR CB C 13 68.641 0.3 . 1 . . . . . 287 THR CB . 27589 1 843 . 1 1 265 265 THR N N 15 122.165 0.3 . 1 . . . . . 287 THR N . 27589 1 844 . 1 1 266 266 ALA H H 1 7.888 0.020 . 1 . . . . . 288 ALA H . 27589 1 845 . 1 1 266 266 ALA C C 13 175.362 0.3 . 1 . . . . . 288 ALA C . 27589 1 846 . 1 1 266 266 ALA CA C 13 51.399 0.3 . 1 . . . . . 288 ALA CA . 27589 1 847 . 1 1 266 266 ALA CB C 13 19.955 0.3 . 1 . . . . . 288 ALA CB . 27589 1 848 . 1 1 266 266 ALA N N 15 129.938 0.3 . 1 . . . . . 288 ALA N . 27589 1 849 . 1 1 267 267 VAL H H 1 9.212 0.020 . 1 . . . . . 289 VAL H . 27589 1 850 . 1 1 267 267 VAL C C 13 173.978 0.3 . 1 . . . . . 289 VAL C . 27589 1 851 . 1 1 267 267 VAL CA C 13 60.575 0.3 . 1 . . . . . 289 VAL CA . 27589 1 852 . 1 1 267 267 VAL CB C 13 34.243 0.3 . 1 . . . . . 289 VAL CB . 27589 1 853 . 1 1 267 267 VAL N N 15 124.504 0.3 . 1 . . . . . 289 VAL N . 27589 1 854 . 1 1 269 269 ARG H H 1 9.342 0.020 . 1 . . . . . 291 ARG H . 27589 1 855 . 1 1 269 269 ARG CA C 13 57.099 0.3 . 1 . . . . . 291 ARG CA . 27589 1 856 . 1 1 269 269 ARG N N 15 125.998 0.3 . 1 . . . . . 291 ARG N . 27589 1 857 . 1 1 271 271 SER H H 1 8.722 0.020 . 1 . . . . . 293 SER H . 27589 1 858 . 1 1 271 271 SER C C 13 173.946 0.3 . 1 . . . . . 293 SER C . 27589 1 859 . 1 1 271 271 SER CA C 13 55.716 0.3 . 1 . . . . . 293 SER CA . 27589 1 860 . 1 1 271 271 SER CB C 13 63.130 0.3 . 1 . . . . . 293 SER CB . 27589 1 861 . 1 1 271 271 SER N N 15 115.261 0.3 . 1 . . . . . 293 SER N . 27589 1 862 . 1 1 272 272 ARG H H 1 9.533 0.020 . 1 . . . . . 294 ARG H . 27589 1 863 . 1 1 272 272 ARG C C 13 174.654 0.3 . 1 . . . . . 294 ARG C . 27589 1 864 . 1 1 272 272 ARG CA C 13 54.852 0.3 . 1 . . . . . 294 ARG CA . 27589 1 865 . 1 1 272 272 ARG CB C 13 28.158 0.3 . 1 . . . . . 294 ARG CB . 27589 1 866 . 1 1 272 272 ARG N N 15 125.734 0.3 . 1 . . . . . 294 ARG N . 27589 1 867 . 1 1 273 273 VAL H H 1 9.070 0.020 . 1 . . . . . 295 VAL H . 27589 1 868 . 1 1 273 273 VAL C C 13 175.665 0.3 . 1 . . . . . 295 VAL C . 27589 1 869 . 1 1 273 273 VAL CA C 13 60.283 0.3 . 1 . . . . . 295 VAL CA . 27589 1 870 . 1 1 273 273 VAL CB C 13 35.105 0.3 . 1 . . . . . 295 VAL CB . 27589 1 871 . 1 1 273 273 VAL N N 15 125.037 0.3 . 1 . . . . . 295 VAL N . 27589 1 872 . 1 1 274 274 PRO C C 13 176.516 0.3 . 1 . . . . . 296 PRO C . 27589 1 873 . 1 1 275 275 THR H H 1 7.235 0.020 . 1 . . . . . 297 THR H . 27589 1 874 . 1 1 275 275 THR C C 13 172.879 0.3 . 1 . . . . . 297 THR C . 27589 1 875 . 1 1 275 275 THR CA C 13 59.384 0.3 . 1 . . . . . 297 THR CA . 27589 1 876 . 1 1 275 275 THR CB C 13 72.058 0.3 . 1 . . . . . 297 THR CB . 27589 1 877 . 1 1 275 275 THR CG2 C 13 21.137 0.3 . 1 . . . . . 297 THR CG2 . 27589 1 878 . 1 1 275 275 THR N N 15 108.111 0.3 . 1 . . . . . 297 THR N . 27589 1 879 . 1 1 276 276 GLY H H 1 8.513 0.020 . 1 . . . . . 298 GLY H . 27589 1 880 . 1 1 276 276 GLY C C 13 171.774 0.3 . 1 . . . . . 298 GLY C . 27589 1 881 . 1 1 276 276 GLY CA C 13 43.083 0.3 . 1 . . . . . 298 GLY CA . 27589 1 882 . 1 1 276 276 GLY N N 15 109.490 0.3 . 1 . . . . . 298 GLY N . 27589 1 883 . 1 1 277 277 ALA H H 1 7.686 0.020 . 1 . . . . . 299 ALA H . 27589 1 884 . 1 1 277 277 ALA C C 13 177.667 0.3 . 1 . . . . . 299 ALA C . 27589 1 885 . 1 1 277 277 ALA CA C 13 49.801 0.3 . 1 . . . . . 299 ALA CA . 27589 1 886 . 1 1 277 277 ALA CB C 13 19.440 0.3 . 1 . . . . . 299 ALA CB . 27589 1 887 . 1 1 277 277 ALA N N 15 118.689 0.3 . 1 . . . . . 299 ALA N . 27589 1 888 . 1 1 278 278 THR H H 1 7.865 0.020 . 1 . . . . . 300 THR H . 27589 1 889 . 1 1 278 278 THR C C 13 176.369 0.3 . 1 . . . . . 300 THR C . 27589 1 890 . 1 1 278 278 THR CA C 13 62.751 0.3 . 1 . . . . . 300 THR CA . 27589 1 891 . 1 1 278 278 THR CB C 13 66.058 0.3 . 1 . . . . . 300 THR CB . 27589 1 892 . 1 1 278 278 THR N N 15 121.618 0.3 . 1 . . . . . 300 THR N . 27589 1 893 . 1 1 279 279 THR H H 1 8.863 0.020 . 1 . . . . . 301 THR H . 27589 1 894 . 1 1 279 279 THR C C 13 176.481 0.3 . 1 . . . . . 301 THR C . 27589 1 895 . 1 1 279 279 THR CA C 13 60.436 0.3 . 1 . . . . . 301 THR CA . 27589 1 896 . 1 1 279 279 THR CB C 13 69.959 0.3 . 1 . . . . . 301 THR CB . 27589 1 897 . 1 1 279 279 THR CG2 C 13 20.836 0.3 . 1 . . . . . 301 THR CG2 . 27589 1 898 . 1 1 279 279 THR N N 15 119.441 0.3 . 1 . . . . . 301 THR N . 27589 1 899 . 1 1 280 280 GLN H H 1 8.277 0.020 . 1 . . . . . 302 GLN H . 27589 1 900 . 1 1 280 280 GLN C C 13 175.731 0.3 . 1 . . . . . 302 GLN C . 27589 1 901 . 1 1 280 280 GLN CA C 13 55.688 0.3 . 1 . . . . . 302 GLN CA . 27589 1 902 . 1 1 280 280 GLN CB C 13 29.619 0.3 . 1 . . . . . 302 GLN CB . 27589 1 903 . 1 1 280 280 GLN N N 15 119.235 0.3 . 1 . . . . . 302 GLN N . 27589 1 904 . 1 1 281 281 ASP H H 1 9.077 0.020 . 1 . . . . . 303 ASP H . 27589 1 905 . 1 1 281 281 ASP C C 13 173.159 0.3 . 1 . . . . . 303 ASP C . 27589 1 906 . 1 1 281 281 ASP CA C 13 52.355 0.3 . 1 . . . . . 303 ASP CA . 27589 1 907 . 1 1 281 281 ASP CB C 13 40.130 0.3 . 1 . . . . . 303 ASP CB . 27589 1 908 . 1 1 281 281 ASP N N 15 118.676 0.3 . 1 . . . . . 303 ASP N . 27589 1 909 . 1 1 282 282 ALA H H 1 8.177 0.020 . 1 . . . . . 304 ALA H . 27589 1 910 . 1 1 282 282 ALA C C 13 177.605 0.3 . 1 . . . . . 304 ALA C . 27589 1 911 . 1 1 282 282 ALA CA C 13 51.434 0.3 . 1 . . . . . 304 ALA CA . 27589 1 912 . 1 1 282 282 ALA CB C 13 18.397 0.3 . 1 . . . . . 304 ALA CB . 27589 1 913 . 1 1 282 282 ALA N N 15 124.195 0.3 . 1 . . . . . 304 ALA N . 27589 1 914 . 1 1 283 283 GLU H H 1 8.176 0.020 . 1 . . . . . 305 GLU H . 27589 1 915 . 1 1 283 283 GLU C C 13 175.934 0.3 . 1 . . . . . 305 GLU C . 27589 1 916 . 1 1 283 283 GLU CA C 13 57.429 0.3 . 1 . . . . . 305 GLU CA . 27589 1 917 . 1 1 283 283 GLU CB C 13 29.568 0.3 . 1 . . . . . 305 GLU CB . 27589 1 918 . 1 1 283 283 GLU N N 15 119.557 0.3 . 1 . . . . . 305 GLU N . 27589 1 919 . 1 1 284 284 VAL H H 1 7.481 0.020 . 1 . . . . . 306 VAL H . 27589 1 920 . 1 1 284 284 VAL C C 13 175.002 0.3 . 1 . . . . . 306 VAL C . 27589 1 921 . 1 1 284 284 VAL CA C 13 59.069 0.3 . 1 . . . . . 306 VAL CA . 27589 1 922 . 1 1 284 284 VAL CB C 13 32.720 0.3 . 1 . . . . . 306 VAL CB . 27589 1 923 . 1 1 284 284 VAL N N 15 117.836 0.3 . 1 . . . . . 306 VAL N . 27589 1 924 . 1 1 285 285 ASP H H 1 8.290 0.020 . 1 . . . . . 307 ASP H . 27589 1 925 . 1 1 285 285 ASP C C 13 174.359 0.3 . 1 . . . . . 307 ASP C . 27589 1 926 . 1 1 285 285 ASP CA C 13 52.027 0.3 . 1 . . . . . 307 ASP CA . 27589 1 927 . 1 1 285 285 ASP CB C 13 38.265 0.3 . 1 . . . . . 307 ASP CB . 27589 1 928 . 1 1 285 285 ASP N N 15 127.481 0.3 . 1 . . . . . 307 ASP N . 27589 1 929 . 1 1 286 286 ASP H H 1 7.899 0.020 . 1 . . . . . 308 ASP H . 27589 1 930 . 1 1 286 286 ASP C C 13 178.220 0.3 . 1 . . . . . 308 ASP C . 27589 1 931 . 1 1 286 286 ASP CA C 13 58.766 0.3 . 1 . . . . . 308 ASP CA . 27589 1 932 . 1 1 286 286 ASP CB C 13 40.452 0.3 . 1 . . . . . 308 ASP CB . 27589 1 933 . 1 1 286 286 ASP N N 15 126.655 0.3 . 1 . . . . . 308 ASP N . 27589 1 934 . 1 1 287 287 ALA H H 1 8.399 0.020 . 1 . . . . . 309 ALA H . 27589 1 935 . 1 1 287 287 ALA C C 13 179.156 0.3 . 1 . . . . . 309 ALA C . 27589 1 936 . 1 1 287 287 ALA CA C 13 53.932 0.3 . 1 . . . . . 309 ALA CA . 27589 1 937 . 1 1 287 287 ALA CB C 13 17.629 0.3 . 1 . . . . . 309 ALA CB . 27589 1 938 . 1 1 287 287 ALA N N 15 121.069 0.3 . 1 . . . . . 309 ALA N . 27589 1 939 . 1 1 288 288 LYS H H 1 7.268 0.020 . 1 . . . . . 310 LYS H . 27589 1 940 . 1 1 288 288 LYS C C 13 176.898 0.3 . 1 . . . . . 310 LYS C . 27589 1 941 . 1 1 288 288 LYS CA C 13 57.682 0.3 . 1 . . . . . 310 LYS CA . 27589 1 942 . 1 1 288 288 LYS CB C 13 32.030 0.3 . 1 . . . . . 310 LYS CB . 27589 1 943 . 1 1 288 288 LYS CG C 13 24.179 0.3 . 1 . . . . . 310 LYS CG . 27589 1 944 . 1 1 288 288 LYS CD C 13 29.025 0.3 . 1 . . . . . 310 LYS CD . 27589 1 945 . 1 1 288 288 LYS CE C 13 41.397 0.3 . 1 . . . . . 310 LYS CE . 27589 1 946 . 1 1 288 288 LYS N N 15 118.894 0.3 . 1 . . . . . 310 LYS N . 27589 1 947 . 1 1 289 289 TYR H H 1 6.831 0.020 . 1 . . . . . 311 TYR H . 27589 1 948 . 1 1 289 289 TYR C C 13 174.623 0.3 . 1 . . . . . 311 TYR C . 27589 1 949 . 1 1 289 289 TYR CA C 13 58.412 0.3 . 1 . . . . . 311 TYR CA . 27589 1 950 . 1 1 289 289 TYR CB C 13 37.237 0.3 . 1 . . . . . 311 TYR CB . 27589 1 951 . 1 1 289 289 TYR N N 15 113.482 0.3 . 1 . . . . . 311 TYR N . 27589 1 952 . 1 1 290 290 GLY H H 1 7.845 0.020 . 1 . . . . . 312 GLY H . 27589 1 953 . 1 1 290 290 GLY C C 13 173.608 0.3 . 1 . . . . . 312 GLY C . 27589 1 954 . 1 1 290 290 GLY CA C 13 45.276 0.3 . 1 . . . . . 312 GLY CA . 27589 1 955 . 1 1 290 290 GLY N N 15 107.424 0.3 . 1 . . . . . 312 GLY N . 27589 1 956 . 1 1 291 291 PHE H H 1 7.445 0.020 . 1 . . . . . 313 PHE H . 27589 1 957 . 1 1 291 291 PHE C C 13 174.924 0.3 . 1 . . . . . 313 PHE C . 27589 1 958 . 1 1 291 291 PHE CA C 13 52.007 0.3 . 1 . . . . . 313 PHE CA . 27589 1 959 . 1 1 291 291 PHE CB C 13 39.068 0.3 . 1 . . . . . 313 PHE CB . 27589 1 960 . 1 1 291 291 PHE N N 15 116.880 0.3 . 1 . . . . . 313 PHE N . 27589 1 961 . 1 1 292 292 VAL H H 1 7.914 0.020 . 1 . . . . . 314 VAL H . 27589 1 962 . 1 1 292 292 VAL C C 13 173.199 0.3 . 1 . . . . . 314 VAL C . 27589 1 963 . 1 1 292 292 VAL CA C 13 59.979 0.3 . 1 . . . . . 314 VAL CA . 27589 1 964 . 1 1 292 292 VAL CB C 13 34.219 0.3 . 1 . . . . . 314 VAL CB . 27589 1 965 . 1 1 292 292 VAL N N 15 120.135 0.3 . 1 . . . . . 314 VAL N . 27589 1 966 . 1 1 293 293 ALA H H 1 9.188 0.020 . 1 . . . . . 315 ALA H . 27589 1 967 . 1 1 293 293 ALA C C 13 178.736 0.3 . 1 . . . . . 315 ALA C . 27589 1 968 . 1 1 293 293 ALA CA C 13 50.849 0.3 . 1 . . . . . 315 ALA CA . 27589 1 969 . 1 1 293 293 ALA CB C 13 19.256 0.3 . 1 . . . . . 315 ALA CB . 27589 1 970 . 1 1 293 293 ALA N N 15 130.972 0.3 . 1 . . . . . 315 ALA N . 27589 1 971 . 1 1 295 295 GLY H H 1 8.559 0.020 . 1 . . . . . 317 GLY H . 27589 1 972 . 1 1 295 295 GLY CA C 13 46.199 0.3 . 1 . . . . . 317 GLY CA . 27589 1 973 . 1 1 295 295 GLY N N 15 116.124 0.3 . 1 . . . . . 317 GLY N . 27589 1 974 . 1 1 296 296 THR H H 1 9.364 0.020 . 1 . . . . . 318 THR H . 27589 1 975 . 1 1 296 296 THR CA C 13 63.082 0.3 . 1 . . . . . 318 THR CA . 27589 1 976 . 1 1 296 296 THR CB C 13 69.027 0.3 . 1 . . . . . 318 THR CB . 27589 1 977 . 1 1 296 296 THR N N 15 117.947 0.3 . 1 . . . . . 318 THR N . 27589 1 978 . 1 1 297 297 LEU H H 1 6.960 0.020 . 1 . . . . . 319 LEU H . 27589 1 979 . 1 1 297 297 LEU CA C 13 54.789 0.3 . 1 . . . . . 319 LEU CA . 27589 1 980 . 1 1 297 297 LEU CB C 13 41.047 0.3 . 1 . . . . . 319 LEU CB . 27589 1 981 . 1 1 297 297 LEU N N 15 120.341 0.3 . 1 . . . . . 319 LEU N . 27589 1 982 . 1 1 298 298 ASN H H 1 7.328 0.020 . 1 . . . . . 320 ASN H . 27589 1 983 . 1 1 298 298 ASN C C 13 172.606 0.3 . 1 . . . . . 320 ASN C . 27589 1 984 . 1 1 298 298 ASN CA C 13 51.229 0.3 . 1 . . . . . 320 ASN CA . 27589 1 985 . 1 1 298 298 ASN CB C 13 35.974 0.3 . 1 . . . . . 320 ASN CB . 27589 1 986 . 1 1 298 298 ASN N N 15 124.864 0.3 . 1 . . . . . 320 ASN N . 27589 1 987 . 1 1 301 301 LYS H H 1 8.000 0.020 . 1 . . . . . 323 LYS H . 27589 1 988 . 1 1 301 301 LYS C C 13 177.333 0.3 . 1 . . . . . 323 LYS C . 27589 1 989 . 1 1 301 301 LYS CA C 13 59.168 0.3 . 1 . . . . . 323 LYS CA . 27589 1 990 . 1 1 301 301 LYS CB C 13 33.862 0.3 . 1 . . . . . 323 LYS CB . 27589 1 991 . 1 1 301 301 LYS CG C 13 26.723 0.3 . 1 . . . . . 323 LYS CG . 27589 1 992 . 1 1 301 301 LYS CD C 13 29.381 0.3 . 1 . . . . . 323 LYS CD . 27589 1 993 . 1 1 301 301 LYS CE C 13 44.062 0.3 . 1 . . . . . 323 LYS CE . 27589 1 994 . 1 1 301 301 LYS N N 15 124.448 0.3 . 1 . . . . . 323 LYS N . 27589 1 995 . 1 1 311 311 THR H H 1 7.576 0.020 . 1 . . . . . 333 THR H . 27589 1 996 . 1 1 311 311 THR C C 13 174.095 0.3 . 1 . . . . . 333 THR C . 27589 1 997 . 1 1 311 311 THR CA C 13 63.190 0.3 . 1 . . . . . 333 THR CA . 27589 1 998 . 1 1 311 311 THR CB C 13 70.523 0.3 . 1 . . . . . 333 THR CB . 27589 1 999 . 1 1 311 311 THR N N 15 110.337 0.3 . 1 . . . . . 333 THR N . 27589 1 1000 . 1 1 312 312 GLN H H 1 8.062 0.020 . 1 . . . . . 334 GLN H . 27589 1 1001 . 1 1 312 312 GLN C C 13 174.708 0.3 . 1 . . . . . 334 GLN C . 27589 1 1002 . 1 1 312 312 GLN CA C 13 55.258 0.3 . 1 . . . . . 334 GLN CA . 27589 1 1003 . 1 1 312 312 GLN CB C 13 30.748 0.3 . 1 . . . . . 334 GLN CB . 27589 1 1004 . 1 1 312 312 GLN CG C 13 33.018 0.3 . 1 . . . . . 334 GLN CG . 27589 1 1005 . 1 1 312 312 GLN CD C 13 178.875 0.3 . 1 . . . . . 334 GLN CD . 27589 1 1006 . 1 1 312 312 GLN N N 15 119.200 0.3 . 1 . . . . . 334 GLN N . 27589 1 1007 . 1 1 313 313 THR H H 1 8.523 0.020 . 1 . . . . . 335 THR H . 27589 1 1008 . 1 1 313 313 THR C C 13 168.787 0.3 . 1 . . . . . 335 THR C . 27589 1 1009 . 1 1 313 313 THR CA C 13 59.869 0.3 . 1 . . . . . 335 THR CA . 27589 1 1010 . 1 1 313 313 THR CB C 13 67.689 0.3 . 1 . . . . . 335 THR CB . 27589 1 1011 . 1 1 313 313 THR CG2 C 13 18.593 0.3 . 1 . . . . . 335 THR CG2 . 27589 1 1012 . 1 1 313 313 THR N N 15 116.205 0.3 . 1 . . . . . 335 THR N . 27589 1 1013 . 1 1 314 314 LYS H H 1 8.096 0.020 . 1 . . . . . 336 LYS H . 27589 1 1014 . 1 1 314 314 LYS C C 13 175.544 0.3 . 1 . . . . . 336 LYS C . 27589 1 1015 . 1 1 314 314 LYS CA C 13 53.924 0.3 . 1 . . . . . 336 LYS CA . 27589 1 1016 . 1 1 314 314 LYS CB C 13 33.041 0.3 . 1 . . . . . 336 LYS CB . 27589 1 1017 . 1 1 314 314 LYS CG C 13 24.959 0.3 . 1 . . . . . 336 LYS CG . 27589 1 1018 . 1 1 314 314 LYS CD C 13 28.734 0.3 . 1 . . . . . 336 LYS CD . 27589 1 1019 . 1 1 314 314 LYS CE C 13 41.867 0.3 . 1 . . . . . 336 LYS CE . 27589 1 1020 . 1 1 314 314 LYS N N 15 120.788 0.3 . 1 . . . . . 336 LYS N . 27589 1 1021 . 1 1 315 315 ASP H H 1 8.464 0.020 . 1 . . . . . 337 ASP H . 27589 1 1022 . 1 1 315 315 ASP C C 13 174.522 0.3 . 1 . . . . . 337 ASP C . 27589 1 1023 . 1 1 315 315 ASP CA C 13 51.074 0.3 . 1 . . . . . 337 ASP CA . 27589 1 1024 . 1 1 315 315 ASP CB C 13 42.013 0.3 . 1 . . . . . 337 ASP CB . 27589 1 1025 . 1 1 315 315 ASP N N 15 125.156 0.3 . 1 . . . . . 337 ASP N . 27589 1 1026 . 1 1 316 316 PRO C C 13 177.761 0.3 . 1 . . . . . 338 PRO C . 27589 1 1027 . 1 1 316 316 PRO CA C 13 65.130 0.3 . 1 . . . . . 338 PRO CA . 27589 1 1028 . 1 1 316 316 PRO CB C 13 31.447 0.3 . 1 . . . . . 338 PRO CB . 27589 1 1029 . 1 1 316 316 PRO CG C 13 27.378 0.3 . 1 . . . . . 338 PRO CG . 27589 1 1030 . 1 1 316 316 PRO CD C 13 50.752 0.3 . 1 . . . . . 338 PRO CD . 27589 1 1031 . 1 1 317 317 GLN H H 1 8.056 0.020 . 1 . . . . . 339 GLN H . 27589 1 1032 . 1 1 317 317 GLN C C 13 179.117 0.3 . 1 . . . . . 339 GLN C . 27589 1 1033 . 1 1 317 317 GLN CA C 13 58.670 0.3 . 1 . . . . . 339 GLN CA . 27589 1 1034 . 1 1 317 317 GLN CB C 13 27.921 0.3 . 1 . . . . . 339 GLN CB . 27589 1 1035 . 1 1 317 317 GLN CG C 13 33.847 0.3 . 1 . . . . . 339 GLN CG . 27589 1 1036 . 1 1 317 317 GLN CD C 13 180.529 0.3 . 1 . . . . . 339 GLN CD . 27589 1 1037 . 1 1 317 317 GLN N N 15 116.986 0.3 . 1 . . . . . 339 GLN N . 27589 1 1038 . 1 1 318 318 GLN H H 1 7.685 0.020 . 1 . . . . . 340 GLN H . 27589 1 1039 . 1 1 318 318 GLN C C 13 178.959 0.3 . 1 . . . . . 340 GLN C . 27589 1 1040 . 1 1 318 318 GLN CA C 13 57.698 0.3 . 1 . . . . . 340 GLN CA . 27589 1 1041 . 1 1 318 318 GLN CB C 13 28.822 0.3 . 1 . . . . . 340 GLN CB . 27589 1 1042 . 1 1 318 318 GLN N N 15 120.349 0.3 . 1 . . . . . 340 GLN N . 27589 1 1043 . 1 1 319 319 ILE H H 1 8.787 0.020 . 1 . . . . . 341 ILE H . 27589 1 1044 . 1 1 319 319 ILE C C 13 177.619 0.3 . 1 . . . . . 341 ILE C . 27589 1 1045 . 1 1 319 319 ILE CA C 13 65.972 0.3 . 1 . . . . . 341 ILE CA . 27589 1 1046 . 1 1 319 319 ILE CB C 13 36.347 0.3 . 1 . . . . . 341 ILE CB . 27589 1 1047 . 1 1 319 319 ILE CG1 C 13 29.784 0.3 . 1 . . . . . 341 ILE CG1 . 27589 1 1048 . 1 1 319 319 ILE CG2 C 13 18.537 0.3 . 1 . . . . . 341 ILE CG2 . 27589 1 1049 . 1 1 319 319 ILE CD1 C 13 11.995 0.3 . 1 . . . . . 341 ILE CD1 . 27589 1 1050 . 1 1 319 319 ILE N N 15 122.177 0.3 . 1 . . . . . 341 ILE N . 27589 1 1051 . 1 1 320 320 GLN H H 1 8.732 0.020 . 1 . . . . . 342 GLN H . 27589 1 1052 . 1 1 320 320 GLN C C 13 177.451 0.3 . 1 . . . . . 342 GLN C . 27589 1 1053 . 1 1 320 320 GLN CA C 13 58.160 0.3 . 1 . . . . . 342 GLN CA . 27589 1 1054 . 1 1 320 320 GLN CB C 13 28.126 0.3 . 1 . . . . . 342 GLN CB . 27589 1 1055 . 1 1 320 320 GLN CG C 13 35.658 0.3 . 1 . . . . . 342 GLN CG . 27589 1 1056 . 1 1 320 320 GLN N N 15 121.207 0.3 . 1 . . . . . 342 GLN N . 27589 1 1057 . 1 1 321 321 GLN H H 1 7.689 0.020 . 1 . . . . . 343 GLN H . 27589 1 1058 . 1 1 321 321 GLN C C 13 177.591 0.3 . 1 . . . . . 343 GLN C . 27589 1 1059 . 1 1 321 321 GLN CA C 13 58.969 0.3 . 1 . . . . . 343 GLN CA . 27589 1 1060 . 1 1 321 321 GLN CB C 13 27.447 0.3 . 1 . . . . . 343 GLN CB . 27589 1 1061 . 1 1 321 321 GLN N N 15 118.885 0.3 . 1 . . . . . 343 GLN N . 27589 1 1062 . 1 1 322 322 ILE H H 1 8.046 0.020 . 1 . . . . . 344 ILE H . 27589 1 1063 . 1 1 322 322 ILE C C 13 178.445 0.3 . 1 . . . . . 344 ILE C . 27589 1 1064 . 1 1 322 322 ILE CA C 13 66.083 0.3 . 1 . . . . . 344 ILE CA . 27589 1 1065 . 1 1 322 322 ILE CB C 13 37.520 0.3 . 1 . . . . . 344 ILE CB . 27589 1 1066 . 1 1 322 322 ILE CG1 C 13 30.562 0.3 . 1 . . . . . 344 ILE CG1 . 27589 1 1067 . 1 1 322 322 ILE CG2 C 13 17.538 0.3 . 1 . . . . . 344 ILE CG2 . 27589 1 1068 . 1 1 322 322 ILE CD1 C 13 13.246 0.3 . 1 . . . . . 344 ILE CD1 . 27589 1 1069 . 1 1 322 322 ILE N N 15 121.934 0.3 . 1 . . . . . 344 ILE N . 27589 1 stop_ save_