data_27588 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27588 _Entry.Title ; Assignment of E.coli asparaginase (ANSII) by solution 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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 . . . . 27588 2 Stefano Giuntini . . . . 27588 3 Azzurra Carlon . . . . 27588 4 Enrico Ravera . . . . 27588 5 Vito Calderone . . . . 27588 6 Marco Fragai . . . . 27588 7 Giacomo Parigi . . . . 27588 8 Claudio Luchinat . . . . 27588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 561 27588 '15N chemical shifts' 186 27588 '1H chemical shifts' 340 27588 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' 27588 1 . . 2018-11-28 2018-08-24 original author 'original release' 27588 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27589 'crystalline E.coli asparaginase II (ANSII) by solid-state NMR' 27588 BMRB 27590 'pegylated E.coli asparaginase II (ANSII) by solid-state NMR' 27588 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27588 _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 . . . . 27588 1 2 Stefano Giuntini . . . . 27588 1 3 Azzurra Carlon . . . . 27588 1 4 Enrico Ravera . . . . 27588 1 5 Vito Calderone . . . . 27588 1 6 Marco Fragai . . . . 27588 1 7 Giacomo Parigi . . . . 27588 1 8 Claudio Luchinat . . . . 27588 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27588 1 'PEGylated protein therapeutics' 27588 1 'asparaginase II' 27588 1 'stealth biologics' 27588 1 'structural characterization' 27588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27588 _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 . . . 27588 1 2 'ANSII, chain B' 1 $ANSII B . yes native no no . . . 27588 1 3 'ANSII, chain C' 1 $ANSII C . yes native no no . . . 27588 1 4 'ANSII, chain D' 1 $ANSII D . yes native no no . . . 27588 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 . . . . . . . . . . . . 27588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ANSII _Entity.Sf_category entity _Entity.Sf_framecode ANSII _Entity.Entry_ID 27588 _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 . 27588 1 2 24 PRO . 27588 1 3 25 ASN . 27588 1 4 26 ILE . 27588 1 5 27 THR . 27588 1 6 28 ILE . 27588 1 7 29 LEU . 27588 1 8 30 ALA . 27588 1 9 31 THR . 27588 1 10 32 GLY . 27588 1 11 33 GLY . 27588 1 12 34 THR . 27588 1 13 35 ILE . 27588 1 14 36 ALA . 27588 1 15 37 GLY . 27588 1 16 38 GLY . 27588 1 17 39 GLY . 27588 1 18 40 ASP . 27588 1 19 41 SER . 27588 1 20 42 ALA . 27588 1 21 43 THR . 27588 1 22 44 LYS . 27588 1 23 45 SER . 27588 1 24 46 ASN . 27588 1 25 47 TYR . 27588 1 26 48 THR . 27588 1 27 49 VAL . 27588 1 28 50 GLY . 27588 1 29 51 LYS . 27588 1 30 52 VAL . 27588 1 31 53 GLY . 27588 1 32 54 VAL . 27588 1 33 55 GLU . 27588 1 34 56 ASN . 27588 1 35 57 LEU . 27588 1 36 58 VAL . 27588 1 37 59 ASN . 27588 1 38 60 ALA . 27588 1 39 61 VAL . 27588 1 40 62 PRO . 27588 1 41 63 GLN . 27588 1 42 64 LEU . 27588 1 43 65 LYS . 27588 1 44 66 ASP . 27588 1 45 67 ILE . 27588 1 46 68 ALA . 27588 1 47 69 ASN . 27588 1 48 70 VAL . 27588 1 49 71 LYS . 27588 1 50 72 GLY . 27588 1 51 73 GLU . 27588 1 52 74 GLN . 27588 1 53 75 VAL . 27588 1 54 76 VAL . 27588 1 55 77 ASN . 27588 1 56 78 ILE . 27588 1 57 79 GLY . 27588 1 58 80 SER . 27588 1 59 81 GLN . 27588 1 60 82 ASP . 27588 1 61 83 MET . 27588 1 62 84 ASN . 27588 1 63 85 ASP . 27588 1 64 86 ASN . 27588 1 65 87 VAL . 27588 1 66 88 TRP . 27588 1 67 89 LEU . 27588 1 68 90 THR . 27588 1 69 91 LEU . 27588 1 70 92 ALA . 27588 1 71 93 LYS . 27588 1 72 94 LYS . 27588 1 73 95 ILE . 27588 1 74 96 ASN . 27588 1 75 97 THR . 27588 1 76 98 ASP . 27588 1 77 99 CYS . 27588 1 78 100 ASP . 27588 1 79 101 LYS . 27588 1 80 102 THR . 27588 1 81 103 ASP . 27588 1 82 104 GLY . 27588 1 83 105 PHE . 27588 1 84 106 VAL . 27588 1 85 107 ILE . 27588 1 86 108 THR . 27588 1 87 109 HIS . 27588 1 88 110 GLY . 27588 1 89 111 THR . 27588 1 90 112 ASP . 27588 1 91 113 THR . 27588 1 92 114 MET . 27588 1 93 115 GLU . 27588 1 94 116 GLU . 27588 1 95 117 THR . 27588 1 96 118 ALA . 27588 1 97 119 TYR . 27588 1 98 120 PHE . 27588 1 99 121 LEU . 27588 1 100 122 ASP . 27588 1 101 123 LEU . 27588 1 102 124 THR . 27588 1 103 125 VAL . 27588 1 104 126 LYS . 27588 1 105 127 CYS . 27588 1 106 128 ASP . 27588 1 107 129 LYS . 27588 1 108 130 PRO . 27588 1 109 131 VAL . 27588 1 110 132 VAL . 27588 1 111 133 MET . 27588 1 112 134 VAL . 27588 1 113 135 GLY . 27588 1 114 136 ALA . 27588 1 115 137 MET . 27588 1 116 138 ARG . 27588 1 117 139 PRO . 27588 1 118 140 SER . 27588 1 119 141 THR . 27588 1 120 142 SER . 27588 1 121 143 MET . 27588 1 122 144 SER . 27588 1 123 145 ALA . 27588 1 124 146 ASP . 27588 1 125 147 GLY . 27588 1 126 148 PRO . 27588 1 127 149 PHE . 27588 1 128 150 ASN . 27588 1 129 151 LEU . 27588 1 130 152 TYR . 27588 1 131 153 ASN . 27588 1 132 154 ALA . 27588 1 133 155 VAL . 27588 1 134 156 VAL . 27588 1 135 157 THR . 27588 1 136 158 ALA . 27588 1 137 159 ALA . 27588 1 138 160 ASP . 27588 1 139 161 LYS . 27588 1 140 162 ALA . 27588 1 141 163 SER . 27588 1 142 164 ALA . 27588 1 143 165 ASN . 27588 1 144 166 ARG . 27588 1 145 167 GLY . 27588 1 146 168 VAL . 27588 1 147 169 LEU . 27588 1 148 170 VAL . 27588 1 149 171 VAL . 27588 1 150 172 MET . 27588 1 151 173 ASN . 27588 1 152 174 ASP . 27588 1 153 175 THR . 27588 1 154 176 VAL . 27588 1 155 177 LEU . 27588 1 156 178 ASP . 27588 1 157 179 GLY . 27588 1 158 180 ARG . 27588 1 159 181 ASP . 27588 1 160 182 VAL . 27588 1 161 183 THR . 27588 1 162 184 LYS . 27588 1 163 185 THR . 27588 1 164 186 ASN . 27588 1 165 187 THR . 27588 1 166 188 THR . 27588 1 167 189 ASP . 27588 1 168 190 VAL . 27588 1 169 191 ALA . 27588 1 170 192 THR . 27588 1 171 193 PHE . 27588 1 172 194 LYS . 27588 1 173 195 SER . 27588 1 174 196 VAL . 27588 1 175 197 ASN . 27588 1 176 198 TYR . 27588 1 177 199 GLY . 27588 1 178 200 PRO . 27588 1 179 201 LEU . 27588 1 180 202 GLY . 27588 1 181 203 TYR . 27588 1 182 204 ILE . 27588 1 183 205 HIS . 27588 1 184 206 ASN . 27588 1 185 207 GLY . 27588 1 186 208 LYS . 27588 1 187 209 ILE . 27588 1 188 210 ASP . 27588 1 189 211 TYR . 27588 1 190 212 GLN . 27588 1 191 213 ARG . 27588 1 192 214 THR . 27588 1 193 215 PRO . 27588 1 194 216 ALA . 27588 1 195 217 ARG . 27588 1 196 218 LYS . 27588 1 197 219 HIS . 27588 1 198 220 THR . 27588 1 199 221 SER . 27588 1 200 222 ASP . 27588 1 201 223 THR . 27588 1 202 224 PRO . 27588 1 203 225 PHE . 27588 1 204 226 ASP . 27588 1 205 227 VAL . 27588 1 206 228 SER . 27588 1 207 229 LYS . 27588 1 208 230 LEU . 27588 1 209 231 ASN . 27588 1 210 232 GLU . 27588 1 211 233 LEU . 27588 1 212 234 PRO . 27588 1 213 235 LYS . 27588 1 214 236 VAL . 27588 1 215 237 GLY . 27588 1 216 238 ILE . 27588 1 217 239 VAL . 27588 1 218 240 TYR . 27588 1 219 241 ASN . 27588 1 220 242 TYR . 27588 1 221 243 ALA . 27588 1 222 244 ASN . 27588 1 223 245 ALA . 27588 1 224 246 SER . 27588 1 225 247 ASP . 27588 1 226 248 LEU . 27588 1 227 249 PRO . 27588 1 228 250 ALA . 27588 1 229 251 LYS . 27588 1 230 252 ALA . 27588 1 231 253 LEU . 27588 1 232 254 VAL . 27588 1 233 255 ASP . 27588 1 234 256 ALA . 27588 1 235 257 GLY . 27588 1 236 258 TYR . 27588 1 237 259 ASP . 27588 1 238 260 GLY . 27588 1 239 261 ILE . 27588 1 240 262 VAL . 27588 1 241 263 SER . 27588 1 242 264 ALA . 27588 1 243 265 GLY . 27588 1 244 266 VAL . 27588 1 245 267 GLY . 27588 1 246 268 ASN . 27588 1 247 269 GLY . 27588 1 248 270 ASN . 27588 1 249 271 LEU . 27588 1 250 272 TYR . 27588 1 251 273 LYS . 27588 1 252 274 SER . 27588 1 253 275 VAL . 27588 1 254 276 PHE . 27588 1 255 277 ASP . 27588 1 256 278 THR . 27588 1 257 279 LEU . 27588 1 258 280 ALA . 27588 1 259 281 THR . 27588 1 260 282 ALA . 27588 1 261 283 ALA . 27588 1 262 284 LYS . 27588 1 263 285 THR . 27588 1 264 286 GLY . 27588 1 265 287 THR . 27588 1 266 288 ALA . 27588 1 267 289 VAL . 27588 1 268 290 VAL . 27588 1 269 291 ARG . 27588 1 270 292 SER . 27588 1 271 293 SER . 27588 1 272 294 ARG . 27588 1 273 295 VAL . 27588 1 274 296 PRO . 27588 1 275 297 THR . 27588 1 276 298 GLY . 27588 1 277 299 ALA . 27588 1 278 300 THR . 27588 1 279 301 THR . 27588 1 280 302 GLN . 27588 1 281 303 ASP . 27588 1 282 304 ALA . 27588 1 283 305 GLU . 27588 1 284 306 VAL . 27588 1 285 307 ASP . 27588 1 286 308 ASP . 27588 1 287 309 ALA . 27588 1 288 310 LYS . 27588 1 289 311 TYR . 27588 1 290 312 GLY . 27588 1 291 313 PHE . 27588 1 292 314 VAL . 27588 1 293 315 ALA . 27588 1 294 316 SER . 27588 1 295 317 GLY . 27588 1 296 318 THR . 27588 1 297 319 LEU . 27588 1 298 320 ASN . 27588 1 299 321 PRO . 27588 1 300 322 GLN . 27588 1 301 323 LYS . 27588 1 302 324 ALA . 27588 1 303 325 ARG . 27588 1 304 326 VAL . 27588 1 305 327 LEU . 27588 1 306 328 LEU . 27588 1 307 329 GLN . 27588 1 308 330 LEU . 27588 1 309 331 ALA . 27588 1 310 332 LEU . 27588 1 311 333 THR . 27588 1 312 334 GLN . 27588 1 313 335 THR . 27588 1 314 336 LYS . 27588 1 315 337 ASP . 27588 1 316 338 PRO . 27588 1 317 339 GLN . 27588 1 318 340 GLN . 27588 1 319 341 ILE . 27588 1 320 342 GLN . 27588 1 321 343 GLN . 27588 1 322 344 ILE . 27588 1 323 345 PHE . 27588 1 324 346 ASN . 27588 1 325 347 GLN . 27588 1 326 348 TYR . 27588 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 27588 1 . PRO 2 2 27588 1 . ASN 3 3 27588 1 . ILE 4 4 27588 1 . THR 5 5 27588 1 . ILE 6 6 27588 1 . LEU 7 7 27588 1 . ALA 8 8 27588 1 . THR 9 9 27588 1 . GLY 10 10 27588 1 . GLY 11 11 27588 1 . THR 12 12 27588 1 . ILE 13 13 27588 1 . ALA 14 14 27588 1 . GLY 15 15 27588 1 . GLY 16 16 27588 1 . GLY 17 17 27588 1 . ASP 18 18 27588 1 . SER 19 19 27588 1 . ALA 20 20 27588 1 . THR 21 21 27588 1 . LYS 22 22 27588 1 . SER 23 23 27588 1 . ASN 24 24 27588 1 . TYR 25 25 27588 1 . THR 26 26 27588 1 . VAL 27 27 27588 1 . GLY 28 28 27588 1 . LYS 29 29 27588 1 . VAL 30 30 27588 1 . GLY 31 31 27588 1 . VAL 32 32 27588 1 . GLU 33 33 27588 1 . ASN 34 34 27588 1 . LEU 35 35 27588 1 . VAL 36 36 27588 1 . ASN 37 37 27588 1 . ALA 38 38 27588 1 . VAL 39 39 27588 1 . PRO 40 40 27588 1 . GLN 41 41 27588 1 . LEU 42 42 27588 1 . LYS 43 43 27588 1 . ASP 44 44 27588 1 . ILE 45 45 27588 1 . ALA 46 46 27588 1 . ASN 47 47 27588 1 . VAL 48 48 27588 1 . LYS 49 49 27588 1 . GLY 50 50 27588 1 . GLU 51 51 27588 1 . GLN 52 52 27588 1 . VAL 53 53 27588 1 . VAL 54 54 27588 1 . ASN 55 55 27588 1 . ILE 56 56 27588 1 . GLY 57 57 27588 1 . SER 58 58 27588 1 . GLN 59 59 27588 1 . ASP 60 60 27588 1 . MET 61 61 27588 1 . ASN 62 62 27588 1 . ASP 63 63 27588 1 . ASN 64 64 27588 1 . VAL 65 65 27588 1 . TRP 66 66 27588 1 . LEU 67 67 27588 1 . THR 68 68 27588 1 . LEU 69 69 27588 1 . ALA 70 70 27588 1 . LYS 71 71 27588 1 . LYS 72 72 27588 1 . ILE 73 73 27588 1 . ASN 74 74 27588 1 . THR 75 75 27588 1 . ASP 76 76 27588 1 . CYS 77 77 27588 1 . ASP 78 78 27588 1 . LYS 79 79 27588 1 . THR 80 80 27588 1 . ASP 81 81 27588 1 . GLY 82 82 27588 1 . PHE 83 83 27588 1 . VAL 84 84 27588 1 . ILE 85 85 27588 1 . THR 86 86 27588 1 . HIS 87 87 27588 1 . GLY 88 88 27588 1 . THR 89 89 27588 1 . ASP 90 90 27588 1 . THR 91 91 27588 1 . MET 92 92 27588 1 . GLU 93 93 27588 1 . GLU 94 94 27588 1 . THR 95 95 27588 1 . ALA 96 96 27588 1 . TYR 97 97 27588 1 . PHE 98 98 27588 1 . LEU 99 99 27588 1 . ASP 100 100 27588 1 . LEU 101 101 27588 1 . THR 102 102 27588 1 . VAL 103 103 27588 1 . LYS 104 104 27588 1 . CYS 105 105 27588 1 . ASP 106 106 27588 1 . LYS 107 107 27588 1 . PRO 108 108 27588 1 . VAL 109 109 27588 1 . VAL 110 110 27588 1 . MET 111 111 27588 1 . VAL 112 112 27588 1 . GLY 113 113 27588 1 . ALA 114 114 27588 1 . MET 115 115 27588 1 . ARG 116 116 27588 1 . PRO 117 117 27588 1 . SER 118 118 27588 1 . THR 119 119 27588 1 . SER 120 120 27588 1 . MET 121 121 27588 1 . SER 122 122 27588 1 . ALA 123 123 27588 1 . ASP 124 124 27588 1 . GLY 125 125 27588 1 . PRO 126 126 27588 1 . PHE 127 127 27588 1 . ASN 128 128 27588 1 . LEU 129 129 27588 1 . TYR 130 130 27588 1 . ASN 131 131 27588 1 . ALA 132 132 27588 1 . VAL 133 133 27588 1 . VAL 134 134 27588 1 . THR 135 135 27588 1 . ALA 136 136 27588 1 . ALA 137 137 27588 1 . ASP 138 138 27588 1 . LYS 139 139 27588 1 . ALA 140 140 27588 1 . SER 141 141 27588 1 . ALA 142 142 27588 1 . ASN 143 143 27588 1 . ARG 144 144 27588 1 . GLY 145 145 27588 1 . VAL 146 146 27588 1 . LEU 147 147 27588 1 . VAL 148 148 27588 1 . VAL 149 149 27588 1 . MET 150 150 27588 1 . ASN 151 151 27588 1 . ASP 152 152 27588 1 . THR 153 153 27588 1 . VAL 154 154 27588 1 . LEU 155 155 27588 1 . ASP 156 156 27588 1 . GLY 157 157 27588 1 . ARG 158 158 27588 1 . ASP 159 159 27588 1 . VAL 160 160 27588 1 . THR 161 161 27588 1 . LYS 162 162 27588 1 . THR 163 163 27588 1 . ASN 164 164 27588 1 . THR 165 165 27588 1 . THR 166 166 27588 1 . ASP 167 167 27588 1 . VAL 168 168 27588 1 . ALA 169 169 27588 1 . THR 170 170 27588 1 . PHE 171 171 27588 1 . LYS 172 172 27588 1 . SER 173 173 27588 1 . VAL 174 174 27588 1 . ASN 175 175 27588 1 . TYR 176 176 27588 1 . GLY 177 177 27588 1 . PRO 178 178 27588 1 . LEU 179 179 27588 1 . GLY 180 180 27588 1 . TYR 181 181 27588 1 . ILE 182 182 27588 1 . HIS 183 183 27588 1 . ASN 184 184 27588 1 . GLY 185 185 27588 1 . LYS 186 186 27588 1 . ILE 187 187 27588 1 . ASP 188 188 27588 1 . TYR 189 189 27588 1 . GLN 190 190 27588 1 . ARG 191 191 27588 1 . THR 192 192 27588 1 . PRO 193 193 27588 1 . ALA 194 194 27588 1 . ARG 195 195 27588 1 . LYS 196 196 27588 1 . HIS 197 197 27588 1 . THR 198 198 27588 1 . SER 199 199 27588 1 . ASP 200 200 27588 1 . THR 201 201 27588 1 . PRO 202 202 27588 1 . PHE 203 203 27588 1 . ASP 204 204 27588 1 . VAL 205 205 27588 1 . SER 206 206 27588 1 . LYS 207 207 27588 1 . LEU 208 208 27588 1 . ASN 209 209 27588 1 . GLU 210 210 27588 1 . LEU 211 211 27588 1 . PRO 212 212 27588 1 . LYS 213 213 27588 1 . VAL 214 214 27588 1 . GLY 215 215 27588 1 . ILE 216 216 27588 1 . VAL 217 217 27588 1 . TYR 218 218 27588 1 . ASN 219 219 27588 1 . TYR 220 220 27588 1 . ALA 221 221 27588 1 . ASN 222 222 27588 1 . ALA 223 223 27588 1 . SER 224 224 27588 1 . ASP 225 225 27588 1 . LEU 226 226 27588 1 . PRO 227 227 27588 1 . ALA 228 228 27588 1 . LYS 229 229 27588 1 . ALA 230 230 27588 1 . LEU 231 231 27588 1 . VAL 232 232 27588 1 . ASP 233 233 27588 1 . ALA 234 234 27588 1 . GLY 235 235 27588 1 . TYR 236 236 27588 1 . ASP 237 237 27588 1 . GLY 238 238 27588 1 . ILE 239 239 27588 1 . VAL 240 240 27588 1 . SER 241 241 27588 1 . ALA 242 242 27588 1 . GLY 243 243 27588 1 . VAL 244 244 27588 1 . GLY 245 245 27588 1 . ASN 246 246 27588 1 . GLY 247 247 27588 1 . ASN 248 248 27588 1 . LEU 249 249 27588 1 . TYR 250 250 27588 1 . LYS 251 251 27588 1 . SER 252 252 27588 1 . VAL 253 253 27588 1 . PHE 254 254 27588 1 . ASP 255 255 27588 1 . THR 256 256 27588 1 . LEU 257 257 27588 1 . ALA 258 258 27588 1 . THR 259 259 27588 1 . ALA 260 260 27588 1 . ALA 261 261 27588 1 . LYS 262 262 27588 1 . THR 263 263 27588 1 . GLY 264 264 27588 1 . THR 265 265 27588 1 . ALA 266 266 27588 1 . VAL 267 267 27588 1 . VAL 268 268 27588 1 . ARG 269 269 27588 1 . SER 270 270 27588 1 . SER 271 271 27588 1 . ARG 272 272 27588 1 . VAL 273 273 27588 1 . PRO 274 274 27588 1 . THR 275 275 27588 1 . GLY 276 276 27588 1 . ALA 277 277 27588 1 . THR 278 278 27588 1 . THR 279 279 27588 1 . GLN 280 280 27588 1 . ASP 281 281 27588 1 . ALA 282 282 27588 1 . GLU 283 283 27588 1 . VAL 284 284 27588 1 . ASP 285 285 27588 1 . ASP 286 286 27588 1 . ALA 287 287 27588 1 . LYS 288 288 27588 1 . TYR 289 289 27588 1 . GLY 290 290 27588 1 . PHE 291 291 27588 1 . VAL 292 292 27588 1 . ALA 293 293 27588 1 . SER 294 294 27588 1 . GLY 295 295 27588 1 . THR 296 296 27588 1 . LEU 297 297 27588 1 . ASN 298 298 27588 1 . PRO 299 299 27588 1 . GLN 300 300 27588 1 . LYS 301 301 27588 1 . ALA 302 302 27588 1 . ARG 303 303 27588 1 . VAL 304 304 27588 1 . LEU 305 305 27588 1 . LEU 306 306 27588 1 . GLN 307 307 27588 1 . LEU 308 308 27588 1 . ALA 309 309 27588 1 . LEU 310 310 27588 1 . THR 311 311 27588 1 . GLN 312 312 27588 1 . THR 313 313 27588 1 . LYS 314 314 27588 1 . ASP 315 315 27588 1 . PRO 316 316 27588 1 . GLN 317 317 27588 1 . GLN 318 318 27588 1 . ILE 319 319 27588 1 . GLN 320 320 27588 1 . GLN 321 321 27588 1 . ILE 322 322 27588 1 . PHE 323 323 27588 1 . ASN 324 324 27588 1 . GLN 325 325 27588 1 . TYR 326 326 27588 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 27588 _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 . . . . . . . . . . . . . 27588 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 27588 _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 . . . 27588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27588 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ANSII '[U-100% 2H; U-100% 13C; U-100% 15N]' . . 1 $ANSII . . 0.75 0.5 1 mM . . . . 27588 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27588 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27588 1 4 pefabloc 'natural abundance' . . . . . . 0.1 . . mg/mL . . . . 27588 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27588 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ANSII '[U-100% 2H; Lys U-100% 1H, 13C, 15N]' . . 1 $ANSII . . 0.75 0.5 1 mM . . . . 27588 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27588 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27588 2 4 pefabloc 'natural abundance' . . . . . . 0.1 . . mg/mL . . . . 27588 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 27588 _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' 0.02 . M 27588 1 pH 7.5 . pH 27588 1 pressure 1 . atm 27588 1 temperature 310 . K 27588 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27588 _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' . . 27588 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27588 1 processing 27588 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27588 _Software.ID 2 _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' . . 27588 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27588 2 'data analysis' 27588 2 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 27588 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27588 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27588 _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 Avance . 950 . . . 27588 1 2 spectrometer_2 Bruker Avance . 900 . . . 27588 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 27588 _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 TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 2 '3D tr-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 3 '3D tr-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 4 '3D tr-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 5 '3D tr-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 6 '3D 1H-15N TROSY-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 1 8 '3D 1H-1H-1H NOESY-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27588 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 27588 _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 . . . . . 27588 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 27588 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 27588 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 27588 _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 TROSY HSQC' . . . 27588 1 2 '3D tr-HNCA' . . . 27588 1 3 '3D tr-HNCACB' . . . 27588 1 4 '3D tr-HNCO' . . . 27588 1 5 '3D tr-HN(CA)CO' . . . 27588 1 6 '3D 1H-15N TROSY-NOESY' . . . 27588 1 7 '3D 1H-15N NOESY' . . . 27588 1 8 '3D 1H-1H-1H NOESY-NOESY' . . . 27588 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 174.448 0.3 . 1 . . . . . 24 PRO C . 27588 1 2 . 1 1 2 2 PRO CA C 13 62.161 0.3 . 1 . . . . . 24 PRO CA . 27588 1 3 . 1 1 2 2 PRO CB C 13 31.505 0.3 . 1 . . . . . 24 PRO CB . 27588 1 4 . 1 1 3 3 ASN H H 1 9.842 0.020 . 1 . . . . . 25 ASN H . 27588 1 5 . 1 1 3 3 ASN HD21 H 1 7.691 0.020 . 1 . . . . . 25 ASN HD21 . 27588 1 6 . 1 1 3 3 ASN HD22 H 1 6.643 0.020 . 1 . . . . . 25 ASN HD22 . 27588 1 7 . 1 1 3 3 ASN C C 13 173.319 0.3 . 1 . . . . . 25 ASN C . 27588 1 8 . 1 1 3 3 ASN CA C 13 52.032 0.3 . 1 . . . . . 25 ASN CA . 27588 1 9 . 1 1 3 3 ASN CB C 13 38.601 0.3 . 1 . . . . . 25 ASN CB . 27588 1 10 . 1 1 3 3 ASN N N 15 122.418 0.3 . 1 . . . . . 25 ASN N . 27588 1 11 . 1 1 3 3 ASN ND2 N 15 114.880 0.3 . 1 . . . . . 25 ASN ND2 . 27588 1 12 . 1 1 4 4 ILE H H 1 8.144 0.020 . 1 . . . . . 26 ILE H . 27588 1 13 . 1 1 4 4 ILE C C 13 174.640 0.3 . 1 . . . . . 26 ILE C . 27588 1 14 . 1 1 4 4 ILE CA C 13 55.820 0.3 . 1 . . . . . 26 ILE CA . 27588 1 15 . 1 1 4 4 ILE CB C 13 38.261 0.3 . 1 . . . . . 26 ILE CB . 27588 1 16 . 1 1 4 4 ILE N N 15 123.993 0.3 . 1 . . . . . 26 ILE N . 27588 1 17 . 1 1 6 6 ILE H H 1 9.320 0.020 . 1 . . . . . 28 ILE H . 27588 1 18 . 1 1 6 6 ILE C C 13 174.650 0.3 . 1 . . . . . 28 ILE C . 27588 1 19 . 1 1 6 6 ILE CA C 13 59.052 0.3 . 1 . . . . . 28 ILE CA . 27588 1 20 . 1 1 6 6 ILE CB C 13 37.513 0.3 . 1 . . . . . 28 ILE CB . 27588 1 21 . 1 1 6 6 ILE N N 15 127.953 0.3 . 1 . . . . . 28 ILE N . 27588 1 22 . 1 1 8 8 ALA H H 1 8.768 0.020 . 1 . . . . . 30 ALA H . 27588 1 23 . 1 1 8 8 ALA C C 13 179.068 0.3 . 1 . . . . . 30 ALA C . 27588 1 24 . 1 1 8 8 ALA CA C 13 50.675 0.3 . 1 . . . . . 30 ALA CA . 27588 1 25 . 1 1 8 8 ALA CB C 13 21.143 0.3 . 1 . . . . . 30 ALA CB . 27588 1 26 . 1 1 8 8 ALA N N 15 124.850 0.3 . 1 . . . . . 30 ALA N . 27588 1 27 . 1 1 9 9 THR H H 1 7.243 0.020 . 1 . . . . . 31 THR H . 27588 1 28 . 1 1 9 9 THR C C 13 178.925 0.3 . 1 . . . . . 31 THR C . 27588 1 29 . 1 1 9 9 THR CA C 13 60.761 0.3 . 1 . . . . . 31 THR CA . 27588 1 30 . 1 1 9 9 THR CB C 13 69.823 0.3 . 1 . . . . . 31 THR CB . 27588 1 31 . 1 1 9 9 THR N N 15 107.067 0.3 . 1 . . . . . 31 THR N . 27588 1 32 . 1 1 35 35 LEU H H 1 7.542 0.020 . 1 . . . . . 57 LEU H . 27588 1 33 . 1 1 35 35 LEU C C 13 177.755 0.3 . 1 . . . . . 57 LEU C . 27588 1 34 . 1 1 35 35 LEU CA C 13 57.813 0.3 . 1 . . . . . 57 LEU CA . 27588 1 35 . 1 1 35 35 LEU CB C 13 40.960 0.3 . 1 . . . . . 57 LEU CB . 27588 1 36 . 1 1 35 35 LEU N N 15 121.825 0.3 . 1 . . . . . 57 LEU N . 27588 1 37 . 1 1 36 36 VAL H H 1 7.675 0.020 . 1 . . . . . 58 VAL H . 27588 1 38 . 1 1 36 36 VAL C C 13 176.978 0.3 . 1 . . . . . 58 VAL C . 27588 1 39 . 1 1 36 36 VAL CA C 13 64.182 0.3 . 1 . . . . . 58 VAL CA . 27588 1 40 . 1 1 36 36 VAL CB C 13 30.314 0.3 . 1 . . . . . 58 VAL CB . 27588 1 41 . 1 1 36 36 VAL N N 15 114.065 0.3 . 1 . . . . . 58 VAL N . 27588 1 42 . 1 1 37 37 ASN H H 1 7.521 0.020 . 1 . . . . . 59 ASN H . 27588 1 43 . 1 1 37 37 ASN C C 13 176.271 0.3 . 1 . . . . . 59 ASN C . 27588 1 44 . 1 1 37 37 ASN CA C 13 54.277 0.3 . 1 . . . . . 59 ASN CA . 27588 1 45 . 1 1 37 37 ASN CB C 13 37.873 0.3 . 1 . . . . . 59 ASN CB . 27588 1 46 . 1 1 37 37 ASN N N 15 116.387 0.3 . 1 . . . . . 59 ASN N . 27588 1 47 . 1 1 38 38 ALA H H 1 7.443 0.020 . 1 . . . . . 60 ALA H . 27588 1 48 . 1 1 38 38 ALA C C 13 177.561 0.3 . 1 . . . . . 60 ALA C . 27588 1 49 . 1 1 38 38 ALA CA C 13 53.155 0.3 . 1 . . . . . 60 ALA CA . 27588 1 50 . 1 1 38 38 ALA CB C 13 18.463 0.3 . 1 . . . . . 60 ALA CB . 27588 1 51 . 1 1 38 38 ALA N N 15 120.678 0.3 . 1 . . . . . 60 ALA N . 27588 1 52 . 1 1 39 39 VAL H H 1 7.591 0.020 . 1 . . . . . 61 VAL H . 27588 1 53 . 1 1 39 39 VAL C C 13 177.616 0.3 . 1 . . . . . 61 VAL C . 27588 1 54 . 1 1 39 39 VAL CA C 13 58.652 0.3 . 1 . . . . . 61 VAL CA . 27588 1 55 . 1 1 39 39 VAL CB C 13 30.736 0.3 . 1 . . . . . 61 VAL CB . 27588 1 56 . 1 1 39 39 VAL N N 15 117.301 0.3 . 1 . . . . . 61 VAL N . 27588 1 57 . 1 1 40 40 PRO C C 13 179.150 0.3 . 1 . . . . . 62 PRO C . 27588 1 58 . 1 1 40 40 PRO CA C 13 64.538 0.3 . 1 . . . . . 62 PRO CA . 27588 1 59 . 1 1 40 40 PRO CB C 13 30.701 0.3 . 1 . . . . . 62 PRO CB . 27588 1 60 . 1 1 41 41 GLN H H 1 9.157 0.020 . 1 . . . . . 63 GLN H . 27588 1 61 . 1 1 41 41 GLN C C 13 178.455 0.3 . 1 . . . . . 63 GLN C . 27588 1 62 . 1 1 41 41 GLN CA C 13 58.756 0.3 . 1 . . . . . 63 GLN CA . 27588 1 63 . 1 1 41 41 GLN CB C 13 27.014 0.3 . 1 . . . . . 63 GLN CB . 27588 1 64 . 1 1 41 41 GLN CG C 13 34.054 0.3 . 1 . . . . . 63 GLN CG . 27588 1 65 . 1 1 41 41 GLN CD C 13 180.716 0.3 . 1 . . . . . 63 GLN CD . 27588 1 66 . 1 1 41 41 GLN N N 15 118.673 0.3 . 1 . . . . . 63 GLN N . 27588 1 67 . 1 1 42 42 LEU H H 1 8.285 0.020 . 1 . . . . . 64 LEU H . 27588 1 68 . 1 1 42 42 LEU C C 13 178.507 0.3 . 1 . . . . . 64 LEU C . 27588 1 69 . 1 1 42 42 LEU CA C 13 57.626 0.3 . 1 . . . . . 64 LEU CA . 27588 1 70 . 1 1 42 42 LEU CB C 13 41.582 0.3 . 1 . . . . . 64 LEU CB . 27588 1 71 . 1 1 42 42 LEU N N 15 117.402 0.3 . 1 . . . . . 64 LEU N . 27588 1 72 . 1 1 43 43 LYS H H 1 7.462 0.020 . 1 . . . . . 65 LYS H . 27588 1 73 . 1 1 43 43 LYS HA H 1 4.349 0.020 . 1 . . . . . 65 LYS HA . 27588 1 74 . 1 1 43 43 LYS HB2 H 1 1.832 0.020 . 1 . . . . . 65 LYS HB2 . 27588 1 75 . 1 1 43 43 LYS HB3 H 1 1.832 0.020 . 1 . . . . . 65 LYS HB3 . 27588 1 76 . 1 1 43 43 LYS HG2 H 1 1.527 0.020 . 1 . . . . . 65 LYS HG2 . 27588 1 77 . 1 1 43 43 LYS HG3 H 1 1.527 0.020 . 1 . . . . . 65 LYS HG3 . 27588 1 78 . 1 1 43 43 LYS HD2 H 1 1.672 0.020 . 1 . . . . . 65 LYS HD2 . 27588 1 79 . 1 1 43 43 LYS HD3 H 1 1.672 0.020 . 1 . . . . . 65 LYS HD3 . 27588 1 80 . 1 1 43 43 LYS HE2 H 1 2.958 0.020 . 1 . . . . . 65 LYS HE2 . 27588 1 81 . 1 1 43 43 LYS HE3 H 1 2.958 0.020 . 1 . . . . . 65 LYS HE3 . 27588 1 82 . 1 1 43 43 LYS C C 13 177.007 0.3 . 1 . . . . . 65 LYS C . 27588 1 83 . 1 1 43 43 LYS CA C 13 57.570 0.3 . 1 . . . . . 65 LYS CA . 27588 1 84 . 1 1 43 43 LYS CB C 13 31.195 0.3 . 1 . . . . . 65 LYS CB . 27588 1 85 . 1 1 43 43 LYS N N 15 113.305 0.3 . 1 . . . . . 65 LYS N . 27588 1 86 . 1 1 44 44 ASP H H 1 7.269 0.020 . 1 . . . . . 66 ASP H . 27588 1 87 . 1 1 44 44 ASP C C 13 176.396 0.3 . 1 . . . . . 66 ASP C . 27588 1 88 . 1 1 44 44 ASP CA C 13 55.051 0.3 . 1 . . . . . 66 ASP CA . 27588 1 89 . 1 1 44 44 ASP CB C 13 40.820 0.3 . 1 . . . . . 66 ASP CB . 27588 1 90 . 1 1 44 44 ASP CG C 13 180.100 0.3 . 1 . . . . . 66 ASP CG . 27588 1 91 . 1 1 44 44 ASP N N 15 115.396 0.3 . 1 . . . . . 66 ASP N . 27588 1 92 . 1 1 45 45 ILE H H 1 7.413 0.020 . 1 . . . . . 67 ILE H . 27588 1 93 . 1 1 45 45 ILE C C 13 174.830 0.3 . 1 . . . . . 67 ILE C . 27588 1 94 . 1 1 45 45 ILE CA C 13 59.970 0.3 . 1 . . . . . 67 ILE CA . 27588 1 95 . 1 1 45 45 ILE CB C 13 39.134 0.3 . 1 . . . . . 67 ILE CB . 27588 1 96 . 1 1 45 45 ILE N N 15 113.174 0.3 . 1 . . . . . 67 ILE N . 27588 1 97 . 1 1 46 46 ALA H H 1 7.880 0.020 . 1 . . . . . 68 ALA H . 27588 1 98 . 1 1 46 46 ALA C C 13 174.426 0.3 . 1 . . . . . 68 ALA C . 27588 1 99 . 1 1 46 46 ALA CA C 13 51.023 0.3 . 1 . . . . . 68 ALA CA . 27588 1 100 . 1 1 46 46 ALA CB C 13 21.392 0.3 . 1 . . . . . 68 ALA CB . 27588 1 101 . 1 1 46 46 ALA N N 15 119.347 0.3 . 1 . . . . . 68 ALA N . 27588 1 102 . 1 1 47 47 ASN H H 1 8.730 0.020 . 1 . . . . . 69 ASN H . 27588 1 103 . 1 1 47 47 ASN HD21 H 1 7.131 0.020 . 1 . . . . . 69 ASN HD21 . 27588 1 104 . 1 1 47 47 ASN HD22 H 1 6.834 0.020 . 1 . . . . . 69 ASN HD22 . 27588 1 105 . 1 1 47 47 ASN C C 13 174.968 0.3 . 1 . . . . . 69 ASN C . 27588 1 106 . 1 1 47 47 ASN CA C 13 51.909 0.3 . 1 . . . . . 69 ASN CA . 27588 1 107 . 1 1 47 47 ASN CB C 13 37.632 0.3 . 1 . . . . . 69 ASN CB . 27588 1 108 . 1 1 47 47 ASN N N 15 117.899 0.3 . 1 . . . . . 69 ASN N . 27588 1 109 . 1 1 48 48 VAL H H 1 8.416 0.020 . 1 . . . . . 70 VAL H . 27588 1 110 . 1 1 48 48 VAL C C 13 175.379 0.3 . 1 . . . . . 70 VAL C . 27588 1 111 . 1 1 48 48 VAL CA C 13 60.894 0.3 . 1 . . . . . 70 VAL CA . 27588 1 112 . 1 1 48 48 VAL CB C 13 32.434 0.3 . 1 . . . . . 70 VAL CB . 27588 1 113 . 1 1 48 48 VAL N N 15 124.394 0.3 . 1 . . . . . 70 VAL N . 27588 1 114 . 1 1 49 49 LYS H H 1 8.307 0.020 . 1 . . . . . 71 LYS H . 27588 1 115 . 1 1 49 49 LYS HA H 1 4.649 0.020 . 1 . . . . . 71 LYS HA . 27588 1 116 . 1 1 49 49 LYS HB2 H 1 1.789 0.020 . 1 . . . . . 71 LYS HB2 . 27588 1 117 . 1 1 49 49 LYS HB3 H 1 1.789 0.020 . 1 . . . . . 71 LYS HB3 . 27588 1 118 . 1 1 49 49 LYS HG2 H 1 1.344 0.020 . 1 . . . . . 71 LYS HG2 . 27588 1 119 . 1 1 49 49 LYS HG3 H 1 1.344 0.020 . 1 . . . . . 71 LYS HG3 . 27588 1 120 . 1 1 49 49 LYS HD2 H 1 1.612 0.020 . 1 . . . . . 71 LYS HD2 . 27588 1 121 . 1 1 49 49 LYS HD3 H 1 1.612 0.020 . 1 . . . . . 71 LYS HD3 . 27588 1 122 . 1 1 49 49 LYS HE2 H 1 2.915 0.020 . 1 . . . . . 71 LYS HE2 . 27588 1 123 . 1 1 49 49 LYS HE3 H 1 2.915 0.020 . 1 . . . . . 71 LYS HE3 . 27588 1 124 . 1 1 49 49 LYS C C 13 174.697 0.3 . 1 . . . . . 71 LYS C . 27588 1 125 . 1 1 49 49 LYS CA C 13 54.283 0.3 . 1 . . . . . 71 LYS CA . 27588 1 126 . 1 1 49 49 LYS CB C 13 34.457 0.3 . 1 . . . . . 71 LYS CB . 27588 1 127 . 1 1 49 49 LYS N N 15 126.624 0.3 . 1 . . . . . 71 LYS N . 27588 1 128 . 1 1 50 50 GLY H H 1 8.634 0.020 . 1 . . . . . 72 GLY H . 27588 1 129 . 1 1 50 50 GLY C C 13 172.635 0.3 . 1 . . . . . 72 GLY C . 27588 1 130 . 1 1 50 50 GLY CA C 13 44.791 0.3 . 1 . . . . . 72 GLY CA . 27588 1 131 . 1 1 50 50 GLY N N 15 109.283 0.3 . 1 . . . . . 72 GLY N . 27588 1 132 . 1 1 51 51 GLU H H 1 8.918 0.020 . 1 . . . . . 73 GLU H . 27588 1 133 . 1 1 51 51 GLU C C 13 173.893 0.3 . 1 . . . . . 73 GLU C . 27588 1 134 . 1 1 51 51 GLU CA C 13 55.012 0.3 . 1 . . . . . 73 GLU CA . 27588 1 135 . 1 1 51 51 GLU CB C 13 33.184 0.3 . 1 . . . . . 73 GLU CB . 27588 1 136 . 1 1 51 51 GLU N N 15 120.401 0.3 . 1 . . . . . 73 GLU N . 27588 1 137 . 1 1 52 52 GLN H H 1 9.082 0.020 . 1 . . . . . 74 GLN H . 27588 1 138 . 1 1 52 52 GLN CA C 13 54.631 0.3 . 1 . . . . . 74 GLN CA . 27588 1 139 . 1 1 52 52 GLN N N 15 126.761 0.3 . 1 . . . . . 74 GLN N . 27588 1 140 . 1 1 53 53 VAL H H 1 8.665 0.020 . 1 . . . . . 75 VAL H . 27588 1 141 . 1 1 53 53 VAL C C 13 175.520 0.3 . 1 . . . . . 75 VAL C . 27588 1 142 . 1 1 53 53 VAL CA C 13 64.615 0.3 . 1 . . . . . 75 VAL CA . 27588 1 143 . 1 1 53 53 VAL CB C 13 32.234 0.3 . 1 . . . . . 75 VAL CB . 27588 1 144 . 1 1 53 53 VAL N N 15 128.942 0.3 . 1 . . . . . 75 VAL N . 27588 1 145 . 1 1 54 54 VAL H H 1 7.609 0.020 . 1 . . . . . 76 VAL H . 27588 1 146 . 1 1 54 54 VAL C C 13 173.504 0.3 . 1 . . . . . 76 VAL C . 27588 1 147 . 1 1 54 54 VAL CA C 13 59.048 0.3 . 1 . . . . . 76 VAL CA . 27588 1 148 . 1 1 54 54 VAL CB C 13 34.829 0.3 . 1 . . . . . 76 VAL CB . 27588 1 149 . 1 1 54 54 VAL N N 15 111.111 0.3 . 1 . . . . . 76 VAL N . 27588 1 150 . 1 1 55 55 ASN H H 1 8.623 0.020 . 1 . . . . . 77 ASN H . 27588 1 151 . 1 1 55 55 ASN CA C 13 60.519 0.3 . 1 . . . . . 77 ASN CA . 27588 1 152 . 1 1 55 55 ASN N N 15 121.023 0.3 . 1 . . . . . 77 ASN N . 27588 1 153 . 1 1 59 59 GLN H H 1 10.011 0.020 . 1 . . . . . 81 GLN H . 27588 1 154 . 1 1 59 59 GLN C C 13 173.829 0.3 . 1 . . . . . 81 GLN C . 27588 1 155 . 1 1 59 59 GLN CA C 13 57.577 0.3 . 1 . . . . . 81 GLN CA . 27588 1 156 . 1 1 59 59 GLN CB C 13 25.185 0.3 . 1 . . . . . 81 GLN CB . 27588 1 157 . 1 1 59 59 GLN N N 15 128.063 0.3 . 1 . . . . . 81 GLN N . 27588 1 158 . 1 1 60 60 ASP H H 1 7.617 0.020 . 1 . . . . . 82 ASP H . 27588 1 159 . 1 1 60 60 ASP C C 13 175.624 0.3 . 1 . . . . . 82 ASP C . 27588 1 160 . 1 1 60 60 ASP CA C 13 53.725 0.3 . 1 . . . . . 82 ASP CA . 27588 1 161 . 1 1 60 60 ASP CB C 13 40.120 0.3 . 1 . . . . . 82 ASP CB . 27588 1 162 . 1 1 60 60 ASP N N 15 119.349 0.3 . 1 . . . . . 82 ASP N . 27588 1 163 . 1 1 61 61 MET H H 1 7.175 0.020 . 1 . . . . . 83 MET H . 27588 1 164 . 1 1 61 61 MET C C 13 172.500 0.3 . 1 . . . . . 83 MET C . 27588 1 165 . 1 1 61 61 MET CA C 13 54.513 0.3 . 1 . . . . . 83 MET CA . 27588 1 166 . 1 1 61 61 MET CB C 13 29.826 0.3 . 1 . . . . . 83 MET CB . 27588 1 167 . 1 1 61 61 MET N N 15 120.121 0.3 . 1 . . . . . 83 MET N . 27588 1 168 . 1 1 62 62 ASN H H 1 6.383 0.020 . 1 . . . . . 84 ASN H . 27588 1 169 . 1 1 62 62 ASN HD21 H 1 7.293 0.020 . 1 . . . . . 84 ASN HD21 . 27588 1 170 . 1 1 62 62 ASN HD22 H 1 6.822 0.020 . 1 . . . . . 84 ASN HD22 . 27588 1 171 . 1 1 62 62 ASN C C 13 173.429 0.3 . 1 . . . . . 84 ASN C . 27588 1 172 . 1 1 62 62 ASN CA C 13 51.754 0.3 . 1 . . . . . 84 ASN CA . 27588 1 173 . 1 1 62 62 ASN CB C 13 40.815 0.3 . 1 . . . . . 84 ASN CB . 27588 1 174 . 1 1 62 62 ASN N N 15 113.308 0.3 . 1 . . . . . 84 ASN N . 27588 1 175 . 1 1 62 62 ASN ND2 N 15 113.221 0.3 . 1 . . . . . 84 ASN ND2 . 27588 1 176 . 1 1 63 63 ASP H H 1 8.621 0.020 . 1 . . . . . 85 ASP H . 27588 1 177 . 1 1 63 63 ASP C C 13 177.418 0.3 . 1 . . . . . 85 ASP C . 27588 1 178 . 1 1 63 63 ASP CA C 13 55.973 0.3 . 1 . . . . . 85 ASP CA . 27588 1 179 . 1 1 63 63 ASP CB C 13 40.754 0.3 . 1 . . . . . 85 ASP CB . 27588 1 180 . 1 1 63 63 ASP N N 15 117.758 0.3 . 1 . . . . . 85 ASP N . 27588 1 181 . 1 1 64 64 ASN H H 1 7.898 0.020 . 1 . . . . . 86 ASN H . 27588 1 182 . 1 1 64 64 ASN C C 13 178.768 0.3 . 1 . . . . . 86 ASN C . 27588 1 183 . 1 1 64 64 ASN CA C 13 56.281 0.3 . 1 . . . . . 86 ASN CA . 27588 1 184 . 1 1 64 64 ASN CB C 13 37.749 0.3 . 1 . . . . . 86 ASN CB . 27588 1 185 . 1 1 64 64 ASN N N 15 115.379 0.3 . 1 . . . . . 86 ASN N . 27588 1 186 . 1 1 65 65 VAL H H 1 7.556 0.020 . 1 . . . . . 87 VAL H . 27588 1 187 . 1 1 65 65 VAL C C 13 177.634 0.3 . 1 . . . . . 87 VAL C . 27588 1 188 . 1 1 65 65 VAL CA C 13 65.911 0.3 . 1 . . . . . 87 VAL CA . 27588 1 189 . 1 1 65 65 VAL CB C 13 30.500 0.3 . 1 . . . . . 87 VAL CB . 27588 1 190 . 1 1 65 65 VAL N N 15 122.107 0.3 . 1 . . . . . 87 VAL N . 27588 1 191 . 1 1 66 66 TRP H H 1 7.219 0.020 . 1 . . . . . 88 TRP H . 27588 1 192 . 1 1 66 66 TRP C C 13 177.517 0.3 . 1 . . . . . 88 TRP C . 27588 1 193 . 1 1 66 66 TRP CA C 13 58.716 0.3 . 1 . . . . . 88 TRP CA . 27588 1 194 . 1 1 66 66 TRP CB C 13 26.036 0.3 . 1 . . . . . 88 TRP CB . 27588 1 195 . 1 1 66 66 TRP N N 15 121.182 0.3 . 1 . . . . . 88 TRP N . 27588 1 196 . 1 1 67 67 LEU H H 1 8.079 0.020 . 1 . . . . . 89 LEU H . 27588 1 197 . 1 1 67 67 LEU C C 13 178.661 0.3 . 1 . . . . . 89 LEU C . 27588 1 198 . 1 1 67 67 LEU CA C 13 58.168 0.3 . 1 . . . . . 89 LEU CA . 27588 1 199 . 1 1 67 67 LEU CB C 13 41.147 0.3 . 1 . . . . . 89 LEU CB . 27588 1 200 . 1 1 67 67 LEU N N 15 117.477 0.3 . 1 . . . . . 89 LEU N . 27588 1 201 . 1 1 68 68 THR H H 1 7.870 0.020 . 1 . . . . . 90 THR H . 27588 1 202 . 1 1 68 68 THR CA C 13 66.561 0.3 . 1 . . . . . 90 THR CA . 27588 1 203 . 1 1 68 68 THR CB C 13 68.056 0.3 . 1 . . . . . 90 THR CB . 27588 1 204 . 1 1 68 68 THR N N 15 115.373 0.3 . 1 . . . . . 90 THR N . 27588 1 205 . 1 1 71 71 LYS H H 1 7.771 0.020 . 1 . . . . . 93 LYS H . 27588 1 206 . 1 1 71 71 LYS HA H 1 4.329 0.020 . 1 . . . . . 93 LYS HA . 27588 1 207 . 1 1 71 71 LYS HB2 H 1 2.026 0.020 . 1 . . . . . 93 LYS HB2 . 27588 1 208 . 1 1 71 71 LYS HB3 H 1 2.026 0.020 . 1 . . . . . 93 LYS HB3 . 27588 1 209 . 1 1 71 71 LYS HG2 H 1 1.292 0.020 . 1 . . . . . 93 LYS HG2 . 27588 1 210 . 1 1 71 71 LYS HG3 H 1 1.292 0.020 . 1 . . . . . 93 LYS HG3 . 27588 1 211 . 1 1 71 71 LYS HD2 H 1 1.648 0.020 . 1 . . . . . 93 LYS HD2 . 27588 1 212 . 1 1 71 71 LYS HD3 H 1 1.648 0.020 . 1 . . . . . 93 LYS HD3 . 27588 1 213 . 1 1 71 71 LYS C C 13 179.488 0.3 . 1 . . . . . 93 LYS C . 27588 1 214 . 1 1 71 71 LYS CA C 13 59.266 0.3 . 1 . . . . . 93 LYS CA . 27588 1 215 . 1 1 71 71 LYS CB C 13 31.979 0.3 . 1 . . . . . 93 LYS CB . 27588 1 216 . 1 1 71 71 LYS N N 15 114.065 0.3 . 1 . . . . . 93 LYS N . 27588 1 217 . 1 1 72 72 LYS H H 1 7.909 0.020 . 1 . . . . . 94 LYS H . 27588 1 218 . 1 1 72 72 LYS HB2 H 1 1.735 0.020 . 1 . . . . . 94 LYS HB2 . 27588 1 219 . 1 1 72 72 LYS HB3 H 1 1.735 0.020 . 1 . . . . . 94 LYS HB3 . 27588 1 220 . 1 1 72 72 LYS HG2 H 1 0.905 0.020 . 1 . . . . . 94 LYS HG2 . 27588 1 221 . 1 1 72 72 LYS HG3 H 1 0.905 0.020 . 1 . . . . . 94 LYS HG3 . 27588 1 222 . 1 1 72 72 LYS C C 13 177.241 0.3 . 1 . . . . . 94 LYS C . 27588 1 223 . 1 1 72 72 LYS CA C 13 58.169 0.3 . 1 . . . . . 94 LYS CA . 27588 1 224 . 1 1 72 72 LYS CB C 13 31.278 0.3 . 1 . . . . . 94 LYS CB . 27588 1 225 . 1 1 72 72 LYS N N 15 121.908 0.3 . 1 . . . . . 94 LYS N . 27588 1 226 . 1 1 74 74 ASN H H 1 7.903 0.020 . 1 . . . . . 96 ASN H . 27588 1 227 . 1 1 74 74 ASN C C 13 179.020 0.3 . 1 . . . . . 96 ASN C . 27588 1 228 . 1 1 74 74 ASN CA C 13 55.181 0.3 . 1 . . . . . 96 ASN CA . 27588 1 229 . 1 1 74 74 ASN CB C 13 36.553 0.3 . 1 . . . . . 96 ASN CB . 27588 1 230 . 1 1 74 74 ASN N N 15 115.298 0.3 . 1 . . . . . 96 ASN N . 27588 1 231 . 1 1 75 75 THR H H 1 8.268 0.020 . 1 . . . . . 97 THR H . 27588 1 232 . 1 1 75 75 THR C C 13 176.125 0.3 . 1 . . . . . 97 THR C . 27588 1 233 . 1 1 75 75 THR CA C 13 65.666 0.3 . 1 . . . . . 97 THR CA . 27588 1 234 . 1 1 75 75 THR CB C 13 68.533 0.3 . 1 . . . . . 97 THR CB . 27588 1 235 . 1 1 75 75 THR N N 15 116.413 0.3 . 1 . . . . . 97 THR N . 27588 1 236 . 1 1 76 76 ASP H H 1 8.240 0.020 . 1 . . . . . 98 ASP H . 27588 1 237 . 1 1 76 76 ASP C C 13 176.606 0.3 . 1 . . . . . 98 ASP C . 27588 1 238 . 1 1 76 76 ASP CA C 13 54.536 0.3 . 1 . . . . . 98 ASP CA . 27588 1 239 . 1 1 76 76 ASP CB C 13 38.937 0.3 . 1 . . . . . 98 ASP CB . 27588 1 240 . 1 1 76 76 ASP N N 15 121.274 0.3 . 1 . . . . . 98 ASP N . 27588 1 241 . 1 1 77 77 CYS H H 1 7.397 0.020 . 1 . . . . . 99 CYS H . 27588 1 242 . 1 1 77 77 CYS C C 13 174.255 0.3 . 1 . . . . . 99 CYS C . 27588 1 243 . 1 1 77 77 CYS CA C 13 59.433 0.3 . 1 . . . . . 99 CYS CA . 27588 1 244 . 1 1 77 77 CYS CB C 13 39.115 0.3 . 1 . . . . . 99 CYS CB . 27588 1 245 . 1 1 77 77 CYS N N 15 120.445 0.3 . 1 . . . . . 99 CYS N . 27588 1 246 . 1 1 78 78 ASP H H 1 8.409 0.020 . 1 . . . . . 100 ASP H . 27588 1 247 . 1 1 78 78 ASP C C 13 177.013 0.3 . 1 . . . . . 100 ASP C . 27588 1 248 . 1 1 78 78 ASP CA C 13 54.807 0.3 . 1 . . . . . 100 ASP CA . 27588 1 249 . 1 1 78 78 ASP CB C 13 39.422 0.3 . 1 . . . . . 100 ASP CB . 27588 1 250 . 1 1 78 78 ASP N N 15 112.553 0.3 . 1 . . . . . 100 ASP N . 27588 1 251 . 1 1 79 79 LYS H H 1 7.960 0.020 . 1 . . . . . 101 LYS H . 27588 1 252 . 1 1 79 79 LYS HA H 1 4.387 0.020 . 1 . . . . . 101 LYS HA . 27588 1 253 . 1 1 79 79 LYS HB2 H 1 1.965 0.020 . 1 . . . . . 101 LYS HB2 . 27588 1 254 . 1 1 79 79 LYS HB3 H 1 1.965 0.020 . 1 . . . . . 101 LYS HB3 . 27588 1 255 . 1 1 79 79 LYS HG2 H 1 1.490 0.020 . 1 . . . . . 101 LYS HG2 . 27588 1 256 . 1 1 79 79 LYS HG3 H 1 1.490 0.020 . 1 . . . . . 101 LYS HG3 . 27588 1 257 . 1 1 79 79 LYS HD2 H 1 1.701 0.020 . 1 . . . . . 101 LYS HD2 . 27588 1 258 . 1 1 79 79 LYS HD3 H 1 1.701 0.020 . 1 . . . . . 101 LYS HD3 . 27588 1 259 . 1 1 79 79 LYS HE2 H 1 3.005 0.020 . 1 . . . . . 101 LYS HE2 . 27588 1 260 . 1 1 79 79 LYS HE3 H 1 3.005 0.020 . 1 . . . . . 101 LYS HE3 . 27588 1 261 . 1 1 79 79 LYS C C 13 175.294 0.3 . 1 . . . . . 101 LYS C . 27588 1 262 . 1 1 79 79 LYS CA C 13 55.328 0.3 . 1 . . . . . 101 LYS CA . 27588 1 263 . 1 1 79 79 LYS CB C 13 32.136 0.3 . 1 . . . . . 101 LYS CB . 27588 1 264 . 1 1 79 79 LYS N N 15 117.300 0.3 . 1 . . . . . 101 LYS N . 27588 1 265 . 1 1 80 80 THR H H 1 7.252 0.020 . 1 . . . . . 102 THR H . 27588 1 266 . 1 1 80 80 THR C C 13 170.695 0.3 . 1 . . . . . 102 THR C . 27588 1 267 . 1 1 80 80 THR CA C 13 59.044 0.3 . 1 . . . . . 102 THR CA . 27588 1 268 . 1 1 80 80 THR CB C 13 69.194 0.3 . 1 . . . . . 102 THR CB . 27588 1 269 . 1 1 80 80 THR CG2 C 13 17.935 0.3 . 1 . . . . . 102 THR CG2 . 27588 1 270 . 1 1 80 80 THR N N 15 115.261 0.3 . 1 . . . . . 102 THR N . 27588 1 271 . 1 1 81 81 ASP H H 1 8.446 0.020 . 1 . . . . . 103 ASP H . 27588 1 272 . 1 1 81 81 ASP C C 13 176.570 0.3 . 1 . . . . . 103 ASP C . 27588 1 273 . 1 1 81 81 ASP CA C 13 55.220 0.3 . 1 . . . . . 103 ASP CA . 27588 1 274 . 1 1 81 81 ASP CB C 13 40.851 0.3 . 1 . . . . . 103 ASP CB . 27588 1 275 . 1 1 81 81 ASP CG C 13 180.039 0.3 . 1 . . . . . 103 ASP CG . 27588 1 276 . 1 1 81 81 ASP N N 15 118.851 0.3 . 1 . . . . . 103 ASP N . 27588 1 277 . 1 1 82 82 GLY H H 1 7.556 0.020 . 1 . . . . . 104 GLY H . 27588 1 278 . 1 1 82 82 GLY HA2 H 1 4.597 0.020 . 2 . . . . . 104 GLY HA2 . 27588 1 279 . 1 1 82 82 GLY HA3 H 1 4.274 0.020 . 2 . . . . . 104 GLY HA3 . 27588 1 280 . 1 1 82 82 GLY C C 13 169.492 0.3 . 1 . . . . . 104 GLY C . 27588 1 281 . 1 1 82 82 GLY CA C 13 45.018 0.3 . 1 . . . . . 104 GLY CA . 27588 1 282 . 1 1 82 82 GLY N N 15 107.841 0.3 . 1 . . . . . 104 GLY N . 27588 1 283 . 1 1 83 83 PHE H H 1 7.337 0.020 . 1 . . . . . 105 PHE H . 27588 1 284 . 1 1 83 83 PHE C C 13 174.113 0.3 . 1 . . . . . 105 PHE C . 27588 1 285 . 1 1 83 83 PHE CA C 13 56.901 0.3 . 1 . . . . . 105 PHE CA . 27588 1 286 . 1 1 83 83 PHE CB C 13 40.847 0.3 . 1 . . . . . 105 PHE CB . 27588 1 287 . 1 1 83 83 PHE N N 15 117.039 0.3 . 1 . . . . . 105 PHE N . 27588 1 288 . 1 1 84 84 VAL H H 1 8.256 0.020 . 1 . . . . . 106 VAL H . 27588 1 289 . 1 1 84 84 VAL C C 13 175.980 0.3 . 1 . . . . . 106 VAL C . 27588 1 290 . 1 1 84 84 VAL CA C 13 59.839 0.3 . 1 . . . . . 106 VAL CA . 27588 1 291 . 1 1 84 84 VAL CB C 13 38.908 0.3 . 1 . . . . . 106 VAL CB . 27588 1 292 . 1 1 84 84 VAL N N 15 121.437 0.3 . 1 . . . . . 106 VAL N . 27588 1 293 . 1 1 85 85 ILE H H 1 8.819 0.020 . 1 . . . . . 107 ILE H . 27588 1 294 . 1 1 85 85 ILE C C 13 174.796 0.3 . 1 . . . . . 107 ILE C . 27588 1 295 . 1 1 85 85 ILE CA C 13 56.203 0.3 . 1 . . . . . 107 ILE CA . 27588 1 296 . 1 1 85 85 ILE CB C 13 38.754 0.3 . 1 . . . . . 107 ILE CB . 27588 1 297 . 1 1 85 85 ILE N N 15 127.673 0.3 . 1 . . . . . 107 ILE N . 27588 1 298 . 1 1 87 87 HIS H H 1 8.936 0.020 . 1 . . . . . 109 HIS H . 27588 1 299 . 1 1 87 87 HIS C C 13 174.368 0.3 . 1 . . . . . 109 HIS C . 27588 1 300 . 1 1 87 87 HIS CA C 13 55.145 0.3 . 1 . . . . . 109 HIS CA . 27588 1 301 . 1 1 87 87 HIS CB C 13 33.638 0.3 . 1 . . . . . 109 HIS CB . 27588 1 302 . 1 1 87 87 HIS N N 15 128.877 0.3 . 1 . . . . . 109 HIS N . 27588 1 303 . 1 1 88 88 GLY H H 1 8.184 0.020 . 1 . . . . . 110 GLY H . 27588 1 304 . 1 1 88 88 GLY CA C 13 45.157 0.3 . 1 . . . . . 110 GLY CA . 27588 1 305 . 1 1 88 88 GLY N N 15 110.892 0.3 . 1 . . . . . 110 GLY N . 27588 1 306 . 1 1 92 92 MET H H 1 7.311 0.020 . 1 . . . . . 114 MET H . 27588 1 307 . 1 1 92 92 MET CA C 13 59.444 0.3 . 1 . . . . . 114 MET CA . 27588 1 308 . 1 1 92 92 MET CB C 13 33.186 0.3 . 1 . . . . . 114 MET CB . 27588 1 309 . 1 1 92 92 MET N N 15 125.882 0.3 . 1 . . . . . 114 MET N . 27588 1 310 . 1 1 93 93 GLU H H 1 9.767 0.020 . 1 . . . . . 115 GLU H . 27588 1 311 . 1 1 93 93 GLU C C 13 175.844 0.3 . 1 . . . . . 115 GLU C . 27588 1 312 . 1 1 93 93 GLU CA C 13 57.283 0.3 . 1 . . . . . 115 GLU CA . 27588 1 313 . 1 1 93 93 GLU CB C 13 30.050 0.3 . 1 . . . . . 115 GLU CB . 27588 1 314 . 1 1 93 93 GLU N N 15 113.260 0.3 . 1 . . . . . 115 GLU N . 27588 1 315 . 1 1 94 94 GLU H H 1 7.754 0.020 . 1 . . . . . 116 GLU H . 27588 1 316 . 1 1 94 94 GLU C C 13 175.538 0.3 . 1 . . . . . 116 GLU C . 27588 1 317 . 1 1 94 94 GLU CA C 13 58.591 0.3 . 1 . . . . . 116 GLU CA . 27588 1 318 . 1 1 94 94 GLU CB C 13 29.681 0.3 . 1 . . . . . 116 GLU CB . 27588 1 319 . 1 1 94 94 GLU N N 15 122.295 0.3 . 1 . . . . . 116 GLU N . 27588 1 320 . 1 1 95 95 THR H H 1 7.627 0.020 . 1 . . . . . 117 THR H . 27588 1 321 . 1 1 95 95 THR CA C 13 64.508 0.3 . 1 . . . . . 117 THR CA . 27588 1 322 . 1 1 95 95 THR CB C 13 66.902 0.3 . 1 . . . . . 117 THR CB . 27588 1 323 . 1 1 95 95 THR N N 15 115.597 0.3 . 1 . . . . . 117 THR N . 27588 1 324 . 1 1 103 103 VAL H H 1 8.141 0.020 . 1 . . . . . 125 VAL H . 27588 1 325 . 1 1 103 103 VAL C C 13 174.089 0.3 . 1 . . . . . 125 VAL C . 27588 1 326 . 1 1 103 103 VAL CA C 13 63.674 0.3 . 1 . . . . . 125 VAL CA . 27588 1 327 . 1 1 103 103 VAL CB C 13 31.053 0.3 . 1 . . . . . 125 VAL CB . 27588 1 328 . 1 1 103 103 VAL N N 15 126.128 0.3 . 1 . . . . . 125 VAL N . 27588 1 329 . 1 1 104 104 LYS H H 1 9.182 0.020 . 1 . . . . . 126 LYS H . 27588 1 330 . 1 1 104 104 LYS HA H 1 4.839 0.020 . 1 . . . . . 126 LYS HA . 27588 1 331 . 1 1 104 104 LYS HB2 H 1 1.920 0.020 . 1 . . . . . 126 LYS HB2 . 27588 1 332 . 1 1 104 104 LYS HB3 H 1 1.920 0.020 . 1 . . . . . 126 LYS HB3 . 27588 1 333 . 1 1 104 104 LYS HG2 H 1 1.424 0.020 . 1 . . . . . 126 LYS HG2 . 27588 1 334 . 1 1 104 104 LYS HG3 H 1 1.424 0.020 . 1 . . . . . 126 LYS HG3 . 27588 1 335 . 1 1 104 104 LYS C C 13 175.359 0.3 . 1 . . . . . 126 LYS C . 27588 1 336 . 1 1 104 104 LYS CA C 13 51.908 0.3 . 1 . . . . . 126 LYS CA . 27588 1 337 . 1 1 104 104 LYS CB C 13 29.957 0.3 . 1 . . . . . 126 LYS CB . 27588 1 338 . 1 1 104 104 LYS N N 15 124.900 0.3 . 1 . . . . . 126 LYS N . 27588 1 339 . 1 1 105 105 CYS H H 1 6.702 0.020 . 1 . . . . . 127 CYS H . 27588 1 340 . 1 1 105 105 CYS C C 13 172.956 0.3 . 1 . . . . . 127 CYS C . 27588 1 341 . 1 1 105 105 CYS CA C 13 53.485 0.3 . 1 . . . . . 127 CYS CA . 27588 1 342 . 1 1 105 105 CYS CB C 13 38.267 0.3 . 1 . . . . . 127 CYS CB . 27588 1 343 . 1 1 105 105 CYS N N 15 117.617 0.3 . 1 . . . . . 127 CYS N . 27588 1 344 . 1 1 106 106 ASP H H 1 8.851 0.020 . 1 . . . . . 128 ASP H . 27588 1 345 . 1 1 106 106 ASP C C 13 175.597 0.3 . 1 . . . . . 128 ASP C . 27588 1 346 . 1 1 106 106 ASP CA C 13 54.019 0.3 . 1 . . . . . 128 ASP CA . 27588 1 347 . 1 1 106 106 ASP CB C 13 39.271 0.3 . 1 . . . . . 128 ASP CB . 27588 1 348 . 1 1 106 106 ASP N N 15 127.723 0.3 . 1 . . . . . 128 ASP N . 27588 1 349 . 1 1 107 107 LYS H H 1 7.531 0.020 . 1 . . . . . 129 LYS H . 27588 1 350 . 1 1 107 107 LYS HA H 1 4.344 0.020 . 1 . . . . . 129 LYS HA . 27588 1 351 . 1 1 107 107 LYS HB2 H 1 1.886 0.020 . 1 . . . . . 129 LYS HB2 . 27588 1 352 . 1 1 107 107 LYS HB3 H 1 1.886 0.020 . 1 . . . . . 129 LYS HB3 . 27588 1 353 . 1 1 107 107 LYS HG2 H 1 1.502 0.020 . 1 . . . . . 129 LYS HG2 . 27588 1 354 . 1 1 107 107 LYS HG3 H 1 1.502 0.020 . 1 . . . . . 129 LYS HG3 . 27588 1 355 . 1 1 107 107 LYS HD2 H 1 1.635 0.020 . 1 . . . . . 129 LYS HD2 . 27588 1 356 . 1 1 107 107 LYS HD3 H 1 1.635 0.020 . 1 . . . . . 129 LYS HD3 . 27588 1 357 . 1 1 107 107 LYS C C 13 173.360 0.3 . 1 . . . . . 129 LYS C . 27588 1 358 . 1 1 107 107 LYS CA C 13 52.782 0.3 . 1 . . . . . 129 LYS CA . 27588 1 359 . 1 1 107 107 LYS CB C 13 30.062 0.3 . 1 . . . . . 129 LYS CB . 27588 1 360 . 1 1 107 107 LYS N N 15 120.938 0.3 . 1 . . . . . 129 LYS N . 27588 1 361 . 1 1 112 112 VAL H H 1 8.876 0.020 . 1 . . . . . 134 VAL H . 27588 1 362 . 1 1 112 112 VAL C C 13 175.138 0.3 . 1 . . . . . 134 VAL C . 27588 1 363 . 1 1 112 112 VAL CA C 13 59.147 0.3 . 1 . . . . . 134 VAL CA . 27588 1 364 . 1 1 112 112 VAL CB C 13 42.278 0.3 . 1 . . . . . 134 VAL CB . 27588 1 365 . 1 1 112 112 VAL N N 15 122.154 0.3 . 1 . . . . . 134 VAL N . 27588 1 366 . 1 1 113 113 GLY H H 1 8.651 0.020 . 1 . . . . . 135 GLY H . 27588 1 367 . 1 1 113 113 GLY C C 13 170.371 0.3 . 1 . . . . . 135 GLY C . 27588 1 368 . 1 1 113 113 GLY CA C 13 44.564 0.3 . 1 . . . . . 135 GLY CA . 27588 1 369 . 1 1 113 113 GLY N N 15 112.729 0.3 . 1 . . . . . 135 GLY N . 27588 1 370 . 1 1 114 114 ALA H H 1 8.779 0.020 . 1 . . . . . 136 ALA H . 27588 1 371 . 1 1 114 114 ALA C C 13 176.456 0.3 . 1 . . . . . 136 ALA C . 27588 1 372 . 1 1 114 114 ALA CA C 13 51.402 0.3 . 1 . . . . . 136 ALA CA . 27588 1 373 . 1 1 114 114 ALA CB C 13 21.701 0.3 . 1 . . . . . 136 ALA CB . 27588 1 374 . 1 1 114 114 ALA N N 15 122.225 0.3 . 1 . . . . . 136 ALA N . 27588 1 375 . 1 1 115 115 MET H H 1 11.488 0.020 . 1 . . . . . 137 MET H . 27588 1 376 . 1 1 115 115 MET CA C 13 54.020 0.3 . 1 . . . . . 137 MET CA . 27588 1 377 . 1 1 115 115 MET N N 15 125.152 0.3 . 1 . . . . . 137 MET N . 27588 1 378 . 1 1 116 116 ARG H H 1 9.844 0.020 . 1 . . . . . 138 ARG H . 27588 1 379 . 1 1 116 116 ARG C C 13 173.915 0.3 . 1 . . . . . 138 ARG C . 27588 1 380 . 1 1 116 116 ARG CA C 13 52.536 0.3 . 1 . . . . . 138 ARG CA . 27588 1 381 . 1 1 116 116 ARG CB C 13 30.154 0.3 . 1 . . . . . 138 ARG CB . 27588 1 382 . 1 1 116 116 ARG N N 15 124.159 0.3 . 1 . . . . . 138 ARG N . 27588 1 383 . 1 1 138 138 ASP H H 1 7.116 0.020 . 1 . . . . . 160 ASP H . 27588 1 384 . 1 1 138 138 ASP C C 13 178.494 0.3 . 1 . . . . . 160 ASP C . 27588 1 385 . 1 1 138 138 ASP CA C 13 53.733 0.3 . 1 . . . . . 160 ASP CA . 27588 1 386 . 1 1 138 138 ASP CB C 13 41.502 0.3 . 1 . . . . . 160 ASP CB . 27588 1 387 . 1 1 138 138 ASP N N 15 122.056 0.3 . 1 . . . . . 160 ASP N . 27588 1 388 . 1 1 139 139 LYS H H 1 8.804 0.020 . 1 . . . . . 161 LYS H . 27588 1 389 . 1 1 139 139 LYS HA H 1 4.026 0.020 . 1 . . . . . 161 LYS HA . 27588 1 390 . 1 1 139 139 LYS HB2 H 1 1.924 0.020 . 1 . . . . . 161 LYS HB2 . 27588 1 391 . 1 1 139 139 LYS HB3 H 1 1.924 0.020 . 1 . . . . . 161 LYS HB3 . 27588 1 392 . 1 1 139 139 LYS HG2 H 1 1.603 0.020 . 1 . . . . . 161 LYS HG2 . 27588 1 393 . 1 1 139 139 LYS HG3 H 1 1.603 0.020 . 1 . . . . . 161 LYS HG3 . 27588 1 394 . 1 1 139 139 LYS HD2 H 1 1.734 0.020 . 1 . . . . . 161 LYS HD2 . 27588 1 395 . 1 1 139 139 LYS HD3 H 1 1.734 0.020 . 1 . . . . . 161 LYS HD3 . 27588 1 396 . 1 1 139 139 LYS C C 13 179.274 0.3 . 1 . . . . . 161 LYS C . 27588 1 397 . 1 1 139 139 LYS CA C 13 58.335 0.3 . 1 . . . . . 161 LYS CA . 27588 1 398 . 1 1 139 139 LYS CB C 13 30.885 0.3 . 1 . . . . . 161 LYS CB . 27588 1 399 . 1 1 139 139 LYS N N 15 129.465 0.3 . 1 . . . . . 161 LYS N . 27588 1 400 . 1 1 140 140 ALA H H 1 9.200 0.020 . 1 . . . . . 162 ALA H . 27588 1 401 . 1 1 140 140 ALA C C 13 178.584 0.3 . 1 . . . . . 162 ALA C . 27588 1 402 . 1 1 140 140 ALA CA C 13 53.024 0.3 . 1 . . . . . 162 ALA CA . 27588 1 403 . 1 1 140 140 ALA CB C 13 17.854 0.3 . 1 . . . . . 162 ALA CB . 27588 1 404 . 1 1 140 140 ALA N N 15 121.182 0.3 . 1 . . . . . 162 ALA N . 27588 1 405 . 1 1 141 141 SER H H 1 8.225 0.020 . 1 . . . . . 163 SER H . 27588 1 406 . 1 1 141 141 SER C C 13 172.978 0.3 . 1 . . . . . 163 SER C . 27588 1 407 . 1 1 141 141 SER CA C 13 58.278 0.3 . 1 . . . . . 163 SER CA . 27588 1 408 . 1 1 141 141 SER CB C 13 62.463 0.3 . 1 . . . . . 163 SER CB . 27588 1 409 . 1 1 141 141 SER N N 15 114.276 0.3 . 1 . . . . . 163 SER N . 27588 1 410 . 1 1 142 142 ALA H H 1 7.015 0.020 . 1 . . . . . 164 ALA H . 27588 1 411 . 1 1 142 142 ALA C C 13 176.354 0.3 . 1 . . . . . 164 ALA C . 27588 1 412 . 1 1 142 142 ALA CA C 13 52.027 0.3 . 1 . . . . . 164 ALA CA . 27588 1 413 . 1 1 142 142 ALA CB C 13 18.269 0.3 . 1 . . . . . 164 ALA CB . 27588 1 414 . 1 1 142 142 ALA N N 15 121.099 0.3 . 1 . . . . . 164 ALA N . 27588 1 415 . 1 1 143 143 ASN H H 1 8.726 0.020 . 1 . . . . . 165 ASN H . 27588 1 416 . 1 1 143 143 ASN C C 13 175.155 0.3 . 1 . . . . . 165 ASN C . 27588 1 417 . 1 1 143 143 ASN CA C 13 54.778 0.3 . 1 . . . . . 165 ASN CA . 27588 1 418 . 1 1 143 143 ASN CB C 13 36.854 0.3 . 1 . . . . . 165 ASN CB . 27588 1 419 . 1 1 143 143 ASN N N 15 112.940 0.3 . 1 . . . . . 165 ASN N . 27588 1 420 . 1 1 144 144 ARG H H 1 7.881 0.020 . 1 . . . . . 166 ARG H . 27588 1 421 . 1 1 144 144 ARG C C 13 174.276 0.3 . 1 . . . . . 166 ARG C . 27588 1 422 . 1 1 144 144 ARG CA C 13 54.728 0.3 . 1 . . . . . 166 ARG CA . 27588 1 423 . 1 1 144 144 ARG CB C 13 30.968 0.3 . 1 . . . . . 166 ARG CB . 27588 1 424 . 1 1 144 144 ARG N N 15 116.195 0.3 . 1 . . . . . 166 ARG N . 27588 1 425 . 1 1 145 145 GLY H H 1 7.842 0.020 . 1 . . . . . 167 GLY H . 27588 1 426 . 1 1 145 145 GLY C C 13 174.013 0.3 . 1 . . . . . 167 GLY C . 27588 1 427 . 1 1 145 145 GLY CA C 13 42.772 0.3 . 1 . . . . . 167 GLY CA . 27588 1 428 . 1 1 145 145 GLY N N 15 108.016 0.3 . 1 . . . . . 167 GLY N . 27588 1 429 . 1 1 146 146 VAL H H 1 7.587 0.020 . 1 . . . . . 168 VAL H . 27588 1 430 . 1 1 146 146 VAL C C 13 175.401 0.3 . 1 . . . . . 168 VAL C . 27588 1 431 . 1 1 146 146 VAL CA C 13 63.402 0.3 . 1 . . . . . 168 VAL CA . 27588 1 432 . 1 1 146 146 VAL CB C 13 30.562 0.3 . 1 . . . . . 168 VAL CB . 27588 1 433 . 1 1 146 146 VAL N N 15 119.584 0.3 . 1 . . . . . 168 VAL N . 27588 1 434 . 1 1 156 156 ASP H H 1 7.891 0.020 . 1 . . . . . 178 ASP H . 27588 1 435 . 1 1 156 156 ASP C C 13 175.670 0.3 . 1 . . . . . 178 ASP C . 27588 1 436 . 1 1 156 156 ASP CA C 13 52.814 0.3 . 1 . . . . . 178 ASP CA . 27588 1 437 . 1 1 156 156 ASP CB C 13 42.522 0.3 . 1 . . . . . 178 ASP CB . 27588 1 438 . 1 1 156 156 ASP N N 15 117.979 0.3 . 1 . . . . . 178 ASP N . 27588 1 439 . 1 1 157 157 GLY H H 1 7.789 0.020 . 1 . . . . . 179 GLY H . 27588 1 440 . 1 1 157 157 GLY C C 13 175.530 0.3 . 1 . . . . . 179 GLY C . 27588 1 441 . 1 1 157 157 GLY CA C 13 46.273 0.3 . 1 . . . . . 179 GLY CA . 27588 1 442 . 1 1 157 157 GLY N N 15 103.937 0.3 . 1 . . . . . 179 GLY N . 27588 1 443 . 1 1 158 158 ARG H H 1 7.907 0.020 . 1 . . . . . 180 ARG H . 27588 1 444 . 1 1 158 158 ARG C C 13 178.078 0.3 . 1 . . . . . 180 ARG C . 27588 1 445 . 1 1 158 158 ARG CA C 13 58.784 0.3 . 1 . . . . . 180 ARG CA . 27588 1 446 . 1 1 158 158 ARG CB C 13 29.572 0.3 . 1 . . . . . 180 ARG CB . 27588 1 447 . 1 1 158 158 ARG N N 15 120.505 0.3 . 1 . . . . . 180 ARG N . 27588 1 448 . 1 1 159 159 ASP H H 1 8.537 0.020 . 1 . . . . . 181 ASP H . 27588 1 449 . 1 1 159 159 ASP C C 13 178.198 0.3 . 1 . . . . . 181 ASP C . 27588 1 450 . 1 1 159 159 ASP CA C 13 55.153 0.3 . 1 . . . . . 181 ASP CA . 27588 1 451 . 1 1 159 159 ASP CB C 13 43.197 0.3 . 1 . . . . . 181 ASP CB . 27588 1 452 . 1 1 159 159 ASP N N 15 120.325 0.3 . 1 . . . . . 181 ASP N . 27588 1 453 . 1 1 160 160 VAL H H 1 7.120 0.020 . 1 . . . . . 182 VAL H . 27588 1 454 . 1 1 160 160 VAL C C 13 173.885 0.3 . 1 . . . . . 182 VAL C . 27588 1 455 . 1 1 160 160 VAL CA C 13 61.513 0.3 . 1 . . . . . 182 VAL CA . 27588 1 456 . 1 1 160 160 VAL CB C 13 28.516 0.3 . 1 . . . . . 182 VAL CB . 27588 1 457 . 1 1 160 160 VAL N N 15 117.090 0.3 . 1 . . . . . 182 VAL N . 27588 1 458 . 1 1 162 162 LYS H H 1 7.615 0.020 . 1 . . . . . 184 LYS H . 27588 1 459 . 1 1 162 162 LYS HA H 1 4.295 0.020 . 1 . . . . . 184 LYS HA . 27588 1 460 . 1 1 162 162 LYS HB2 H 1 1.346 0.020 . 1 . . . . . 184 LYS HB2 . 27588 1 461 . 1 1 162 162 LYS HB3 H 1 1.346 0.020 . 1 . . . . . 184 LYS HB3 . 27588 1 462 . 1 1 162 162 LYS HG2 H 1 0.839 0.020 . 1 . . . . . 184 LYS HG2 . 27588 1 463 . 1 1 162 162 LYS HG3 H 1 0.839 0.020 . 1 . . . . . 184 LYS HG3 . 27588 1 464 . 1 1 162 162 LYS HD2 H 1 1.017 0.020 . 1 . . . . . 184 LYS HD2 . 27588 1 465 . 1 1 162 162 LYS HD3 H 1 1.017 0.020 . 1 . . . . . 184 LYS HD3 . 27588 1 466 . 1 1 162 162 LYS HE2 H 1 3.339 0.020 . 1 . . . . . 184 LYS HE2 . 27588 1 467 . 1 1 162 162 LYS HE3 H 1 3.339 0.020 . 1 . . . . . 184 LYS HE3 . 27588 1 468 . 1 1 162 162 LYS C C 13 175.598 0.3 . 1 . . . . . 184 LYS C . 27588 1 469 . 1 1 162 162 LYS CA C 13 56.544 0.3 . 1 . . . . . 184 LYS CA . 27588 1 470 . 1 1 162 162 LYS CB C 13 32.299 0.3 . 1 . . . . . 184 LYS CB . 27588 1 471 . 1 1 162 162 LYS N N 15 128.634 0.3 . 1 . . . . . 184 LYS N . 27588 1 472 . 1 1 163 163 THR H H 1 7.809 0.020 . 1 . . . . . 185 THR H . 27588 1 473 . 1 1 163 163 THR CA C 13 63.604 0.3 . 1 . . . . . 185 THR CA . 27588 1 474 . 1 1 163 163 THR CB C 13 70.459 0.3 . 1 . . . . . 185 THR CB . 27588 1 475 . 1 1 163 163 THR CG2 C 13 22.820 0.3 . 1 . . . . . 185 THR CG2 . 27588 1 476 . 1 1 163 163 THR N N 15 118.335 0.3 . 1 . . . . . 185 THR N . 27588 1 477 . 1 1 165 165 THR H H 1 7.420 0.020 . 1 . . . . . 187 THR H . 27588 1 478 . 1 1 165 165 THR C C 13 174.792 0.3 . 1 . . . . . 187 THR C . 27588 1 479 . 1 1 165 165 THR CA C 13 65.803 0.3 . 1 . . . . . 187 THR CA . 27588 1 480 . 1 1 165 165 THR CB C 13 68.342 0.3 . 1 . . . . . 187 THR CB . 27588 1 481 . 1 1 165 165 THR N N 15 117.289 0.3 . 1 . . . . . 187 THR N . 27588 1 482 . 1 1 166 166 THR H H 1 7.653 0.020 . 1 . . . . . 188 THR H . 27588 1 483 . 1 1 166 166 THR C C 13 174.793 0.3 . 1 . . . . . 188 THR C . 27588 1 484 . 1 1 166 166 THR CA C 13 62.525 0.3 . 1 . . . . . 188 THR CA . 27588 1 485 . 1 1 166 166 THR CB C 13 70.862 0.3 . 1 . . . . . 188 THR CB . 27588 1 486 . 1 1 166 166 THR N N 15 107.594 0.3 . 1 . . . . . 188 THR N . 27588 1 487 . 1 1 167 167 ASP H H 1 8.176 0.020 . 1 . . . . . 189 ASP H . 27588 1 488 . 1 1 167 167 ASP C C 13 178.301 0.3 . 1 . . . . . 189 ASP C . 27588 1 489 . 1 1 167 167 ASP CA C 13 53.658 0.3 . 1 . . . . . 189 ASP CA . 27588 1 490 . 1 1 167 167 ASP CB C 13 41.420 0.3 . 1 . . . . . 189 ASP CB . 27588 1 491 . 1 1 167 167 ASP N N 15 125.495 0.3 . 1 . . . . . 189 ASP N . 27588 1 492 . 1 1 168 168 VAL H H 1 9.078 0.020 . 1 . . . . . 190 VAL H . 27588 1 493 . 1 1 168 168 VAL C C 13 178.306 0.3 . 1 . . . . . 190 VAL C . 27588 1 494 . 1 1 168 168 VAL CA C 13 64.519 0.3 . 1 . . . . . 190 VAL CA . 27588 1 495 . 1 1 168 168 VAL CB C 13 30.054 0.3 . 1 . . . . . 190 VAL CB . 27588 1 496 . 1 1 168 168 VAL N N 15 122.787 0.3 . 1 . . . . . 190 VAL N . 27588 1 497 . 1 1 169 169 ALA H H 1 9.285 0.020 . 1 . . . . . 191 ALA H . 27588 1 498 . 1 1 169 169 ALA C C 13 176.151 0.3 . 1 . . . . . 191 ALA C . 27588 1 499 . 1 1 169 169 ALA CA C 13 51.132 0.3 . 1 . . . . . 191 ALA CA . 27588 1 500 . 1 1 169 169 ALA CB C 13 18.464 0.3 . 1 . . . . . 191 ALA CB . 27588 1 501 . 1 1 169 169 ALA N N 15 127.219 0.3 . 1 . . . . . 191 ALA N . 27588 1 502 . 1 1 170 170 THR H H 1 7.067 0.020 . 1 . . . . . 192 THR H . 27588 1 503 . 1 1 170 170 THR C C 13 175.486 0.3 . 1 . . . . . 192 THR C . 27588 1 504 . 1 1 170 170 THR CA C 13 62.905 0.3 . 1 . . . . . 192 THR CA . 27588 1 505 . 1 1 170 170 THR CB C 13 67.809 0.3 . 1 . . . . . 192 THR CB . 27588 1 506 . 1 1 170 170 THR N N 15 112.026 0.3 . 1 . . . . . 192 THR N . 27588 1 507 . 1 1 171 171 PHE H H 1 9.325 0.020 . 1 . . . . . 193 PHE H . 27588 1 508 . 1 1 171 171 PHE C C 13 175.135 0.3 . 1 . . . . . 193 PHE C . 27588 1 509 . 1 1 171 171 PHE CA C 13 61.138 0.3 . 1 . . . . . 193 PHE CA . 27588 1 510 . 1 1 171 171 PHE CB C 13 36.924 0.3 . 1 . . . . . 193 PHE CB . 27588 1 511 . 1 1 171 171 PHE N N 15 124.149 0.3 . 1 . . . . . 193 PHE N . 27588 1 512 . 1 1 172 172 LYS H H 1 8.481 0.020 . 1 . . . . . 194 LYS H . 27588 1 513 . 1 1 172 172 LYS HB2 H 1 1.809 0.020 . 1 . . . . . 194 LYS HB2 . 27588 1 514 . 1 1 172 172 LYS HB3 H 1 1.809 0.020 . 1 . . . . . 194 LYS HB3 . 27588 1 515 . 1 1 172 172 LYS HG2 H 1 1.459 0.020 . 1 . . . . . 194 LYS HG2 . 27588 1 516 . 1 1 172 172 LYS HG3 H 1 1.459 0.020 . 1 . . . . . 194 LYS HG3 . 27588 1 517 . 1 1 172 172 LYS HD2 H 1 1.642 0.020 . 1 . . . . . 194 LYS HD2 . 27588 1 518 . 1 1 172 172 LYS HD3 H 1 1.642 0.020 . 1 . . . . . 194 LYS HD3 . 27588 1 519 . 1 1 172 172 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 194 LYS HE2 . 27588 1 520 . 1 1 172 172 LYS HE3 H 1 3.000 0.020 . 1 . . . . . 194 LYS HE3 . 27588 1 521 . 1 1 172 172 LYS C C 13 175.368 0.3 . 1 . . . . . 194 LYS C . 27588 1 522 . 1 1 172 172 LYS CA C 13 53.908 0.3 . 1 . . . . . 194 LYS CA . 27588 1 523 . 1 1 172 172 LYS CB C 13 37.054 0.3 . 1 . . . . . 194 LYS CB . 27588 1 524 . 1 1 172 172 LYS N N 15 122.028 0.3 . 1 . . . . . 194 LYS N . 27588 1 525 . 1 1 173 173 SER H H 1 9.017 0.020 . 1 . . . . . 195 SER H . 27588 1 526 . 1 1 173 173 SER C C 13 177.547 0.3 . 1 . . . . . 195 SER C . 27588 1 527 . 1 1 173 173 SER CA C 13 57.503 0.3 . 1 . . . . . 195 SER CA . 27588 1 528 . 1 1 173 173 SER CB C 13 61.930 0.3 . 1 . . . . . 195 SER CB . 27588 1 529 . 1 1 173 173 SER N N 15 125.553 0.3 . 1 . . . . . 195 SER N . 27588 1 530 . 1 1 174 174 VAL H H 1 5.945 0.020 . 1 . . . . . 196 VAL H . 27588 1 531 . 1 1 174 174 VAL C C 13 175.574 0.3 . 1 . . . . . 196 VAL C . 27588 1 532 . 1 1 174 174 VAL CA C 13 63.528 0.3 . 1 . . . . . 196 VAL CA . 27588 1 533 . 1 1 174 174 VAL CB C 13 30.903 0.3 . 1 . . . . . 196 VAL CB . 27588 1 534 . 1 1 174 174 VAL N N 15 112.534 0.3 . 1 . . . . . 196 VAL N . 27588 1 535 . 1 1 175 175 ASN H H 1 9.626 0.020 . 1 . . . . . 197 ASN H . 27588 1 536 . 1 1 175 175 ASN C C 13 176.419 0.3 . 1 . . . . . 197 ASN C . 27588 1 537 . 1 1 175 175 ASN CA C 13 55.071 0.3 . 1 . . . . . 197 ASN CA . 27588 1 538 . 1 1 175 175 ASN CB C 13 39.628 0.3 . 1 . . . . . 197 ASN CB . 27588 1 539 . 1 1 175 175 ASN CG C 13 180.183 0.3 . 1 . . . . . 197 ASN CG . 27588 1 540 . 1 1 175 175 ASN N N 15 119.203 0.3 . 1 . . . . . 197 ASN N . 27588 1 541 . 1 1 176 176 TYR H H 1 9.254 0.020 . 1 . . . . . 198 TYR H . 27588 1 542 . 1 1 176 176 TYR C C 13 174.425 0.3 . 1 . . . . . 198 TYR C . 27588 1 543 . 1 1 176 176 TYR CA C 13 59.284 0.3 . 1 . . . . . 198 TYR CA . 27588 1 544 . 1 1 176 176 TYR CB C 13 39.755 0.3 . 1 . . . . . 198 TYR CB . 27588 1 545 . 1 1 176 176 TYR N N 15 118.597 0.3 . 1 . . . . . 198 TYR N . 27588 1 546 . 1 1 177 177 GLY H H 1 7.305 0.020 . 1 . . . . . 199 GLY H . 27588 1 547 . 1 1 177 177 GLY CA C 13 44.534 0.3 . 1 . . . . . 199 GLY CA . 27588 1 548 . 1 1 177 177 GLY N N 15 106.012 0.3 . 1 . . . . . 199 GLY N . 27588 1 549 . 1 1 181 181 TYR H H 1 7.785 0.020 . 1 . . . . . 203 TYR H . 27588 1 550 . 1 1 181 181 TYR C C 13 174.412 0.3 . 1 . . . . . 203 TYR C . 27588 1 551 . 1 1 181 181 TYR CA C 13 60.039 0.3 . 1 . . . . . 203 TYR CA . 27588 1 552 . 1 1 181 181 TYR CB C 13 35.584 0.3 . 1 . . . . . 203 TYR CB . 27588 1 553 . 1 1 181 181 TYR N N 15 118.848 0.3 . 1 . . . . . 203 TYR N . 27588 1 554 . 1 1 182 182 ILE H H 1 8.128 0.020 . 1 . . . . . 204 ILE H . 27588 1 555 . 1 1 182 182 ILE C C 13 176.828 0.3 . 1 . . . . . 204 ILE C . 27588 1 556 . 1 1 182 182 ILE CA C 13 56.526 0.3 . 1 . . . . . 204 ILE CA . 27588 1 557 . 1 1 182 182 ILE CB C 13 42.805 0.3 . 1 . . . . . 204 ILE CB . 27588 1 558 . 1 1 182 182 ILE N N 15 120.888 0.3 . 1 . . . . . 204 ILE N . 27588 1 559 . 1 1 185 185 GLY H H 1 8.590 0.020 . 1 . . . . . 207 GLY H . 27588 1 560 . 1 1 185 185 GLY C C 13 172.004 0.3 . 1 . . . . . 207 GLY C . 27588 1 561 . 1 1 185 185 GLY CA C 13 45.308 0.3 . 1 . . . . . 207 GLY CA . 27588 1 562 . 1 1 185 185 GLY N N 15 102.354 0.3 . 1 . . . . . 207 GLY N . 27588 1 563 . 1 1 186 186 LYS H H 1 7.601 0.020 . 1 . . . . . 208 LYS H . 27588 1 564 . 1 1 186 186 LYS HA H 1 3.526 0.020 . 1 . . . . . 208 LYS HA . 27588 1 565 . 1 1 186 186 LYS HB2 H 1 1.926 0.020 . 1 . . . . . 208 LYS HB2 . 27588 1 566 . 1 1 186 186 LYS HB3 H 1 1.926 0.020 . 1 . . . . . 208 LYS HB3 . 27588 1 567 . 1 1 186 186 LYS HG2 H 1 1.354 0.020 . 1 . . . . . 208 LYS HG2 . 27588 1 568 . 1 1 186 186 LYS HG3 H 1 1.354 0.020 . 1 . . . . . 208 LYS HG3 . 27588 1 569 . 1 1 186 186 LYS HD2 H 1 1.728 0.020 . 1 . . . . . 208 LYS HD2 . 27588 1 570 . 1 1 186 186 LYS HD3 H 1 1.728 0.020 . 1 . . . . . 208 LYS HD3 . 27588 1 571 . 1 1 186 186 LYS HE2 H 1 3.013 0.020 . 1 . . . . . 208 LYS HE2 . 27588 1 572 . 1 1 186 186 LYS HE3 H 1 3.013 0.020 . 1 . . . . . 208 LYS HE3 . 27588 1 573 . 1 1 186 186 LYS C C 13 175.127 0.3 . 1 . . . . . 208 LYS C . 27588 1 574 . 1 1 186 186 LYS CA C 13 54.060 0.3 . 1 . . . . . 208 LYS CA . 27588 1 575 . 1 1 186 186 LYS CB C 13 33.655 0.3 . 1 . . . . . 208 LYS CB . 27588 1 576 . 1 1 186 186 LYS N N 15 119.514 0.3 . 1 . . . . . 208 LYS N . 27588 1 577 . 1 1 187 187 ILE H H 1 8.886 0.020 . 1 . . . . . 209 ILE H . 27588 1 578 . 1 1 187 187 ILE C C 13 175.912 0.3 . 1 . . . . . 209 ILE C . 27588 1 579 . 1 1 187 187 ILE CA C 13 60.288 0.3 . 1 . . . . . 209 ILE CA . 27588 1 580 . 1 1 187 187 ILE CB C 13 38.636 0.3 . 1 . . . . . 209 ILE CB . 27588 1 581 . 1 1 187 187 ILE N N 15 124.239 0.3 . 1 . . . . . 209 ILE N . 27588 1 582 . 1 1 188 188 ASP H H 1 8.222 0.020 . 1 . . . . . 210 ASP H . 27588 1 583 . 1 1 188 188 ASP C C 13 176.393 0.3 . 1 . . . . . 210 ASP C . 27588 1 584 . 1 1 188 188 ASP CA C 13 52.112 0.3 . 1 . . . . . 210 ASP CA . 27588 1 585 . 1 1 188 188 ASP CB C 13 40.321 0.3 . 1 . . . . . 210 ASP CB . 27588 1 586 . 1 1 188 188 ASP N N 15 127.535 0.3 . 1 . . . . . 210 ASP N . 27588 1 587 . 1 1 189 189 TYR H H 1 8.473 0.020 . 1 . . . . . 211 TYR H . 27588 1 588 . 1 1 189 189 TYR C C 13 177.471 0.3 . 1 . . . . . 211 TYR C . 27588 1 589 . 1 1 189 189 TYR CA C 13 58.400 0.3 . 1 . . . . . 211 TYR CA . 27588 1 590 . 1 1 189 189 TYR CB C 13 38.832 0.3 . 1 . . . . . 211 TYR CB . 27588 1 591 . 1 1 189 189 TYR N N 15 125.647 0.3 . 1 . . . . . 211 TYR N . 27588 1 592 . 1 1 193 193 PRO C C 13 176.328 0.3 . 1 . . . . . 215 PRO C . 27588 1 593 . 1 1 193 193 PRO CA C 13 63.539 0.3 . 1 . . . . . 215 PRO CA . 27588 1 594 . 1 1 193 193 PRO CB C 13 31.425 0.3 . 1 . . . . . 215 PRO CB . 27588 1 595 . 1 1 194 194 ALA H H 1 7.442 0.020 . 1 . . . . . 216 ALA H . 27588 1 596 . 1 1 194 194 ALA C C 13 179.687 0.3 . 1 . . . . . 216 ALA C . 27588 1 597 . 1 1 194 194 ALA CA C 13 52.557 0.3 . 1 . . . . . 216 ALA CA . 27588 1 598 . 1 1 194 194 ALA CB C 13 20.347 0.3 . 1 . . . . . 216 ALA CB . 27588 1 599 . 1 1 194 194 ALA N N 15 123.076 0.3 . 1 . . . . . 216 ALA N . 27588 1 600 . 1 1 195 195 ARG H H 1 7.898 0.020 . 1 . . . . . 217 ARG H . 27588 1 601 . 1 1 195 195 ARG C C 13 176.762 0.3 . 1 . . . . . 217 ARG C . 27588 1 602 . 1 1 195 195 ARG CA C 13 55.296 0.3 . 1 . . . . . 217 ARG CA . 27588 1 603 . 1 1 195 195 ARG CB C 13 28.710 0.3 . 1 . . . . . 217 ARG CB . 27588 1 604 . 1 1 195 195 ARG N N 15 116.468 0.3 . 1 . . . . . 217 ARG N . 27588 1 605 . 1 1 196 196 LYS H H 1 7.227 0.020 . 1 . . . . . 218 LYS H . 27588 1 606 . 1 1 196 196 LYS HA H 1 3.954 0.020 . 1 . . . . . 218 LYS HA . 27588 1 607 . 1 1 196 196 LYS HB2 H 1 1.757 0.020 . 1 . . . . . 218 LYS HB2 . 27588 1 608 . 1 1 196 196 LYS HB3 H 1 1.757 0.020 . 1 . . . . . 218 LYS HB3 . 27588 1 609 . 1 1 196 196 LYS HG2 H 1 1.442 0.020 . 1 . . . . . 218 LYS HG2 . 27588 1 610 . 1 1 196 196 LYS HG3 H 1 1.442 0.020 . 1 . . . . . 218 LYS HG3 . 27588 1 611 . 1 1 196 196 LYS HD2 H 1 1.611 0.020 . 1 . . . . . 218 LYS HD2 . 27588 1 612 . 1 1 196 196 LYS HD3 H 1 1.611 0.020 . 1 . . . . . 218 LYS HD3 . 27588 1 613 . 1 1 196 196 LYS HE2 H 1 2.871 0.020 . 1 . . . . . 218 LYS HE2 . 27588 1 614 . 1 1 196 196 LYS HE3 H 1 2.871 0.020 . 1 . . . . . 218 LYS HE3 . 27588 1 615 . 1 1 196 196 LYS C C 13 175.012 0.3 . 1 . . . . . 218 LYS C . 27588 1 616 . 1 1 196 196 LYS CA C 13 56.957 0.3 . 1 . . . . . 218 LYS CA . 27588 1 617 . 1 1 196 196 LYS CB C 13 33.064 0.3 . 1 . . . . . 218 LYS CB . 27588 1 618 . 1 1 196 196 LYS N N 15 121.249 0.3 . 1 . . . . . 218 LYS N . 27588 1 619 . 1 1 197 197 HIS H H 1 7.802 0.020 . 1 . . . . . 219 HIS H . 27588 1 620 . 1 1 197 197 HIS C C 13 175.480 0.3 . 1 . . . . . 219 HIS C . 27588 1 621 . 1 1 197 197 HIS CA C 13 53.892 0.3 . 1 . . . . . 219 HIS CA . 27588 1 622 . 1 1 197 197 HIS CB C 13 32.955 0.3 . 1 . . . . . 219 HIS CB . 27588 1 623 . 1 1 197 197 HIS N N 15 116.406 0.3 . 1 . . . . . 219 HIS N . 27588 1 624 . 1 1 198 198 THR H H 1 9.522 0.020 . 1 . . . . . 220 THR H . 27588 1 625 . 1 1 198 198 THR C C 13 177.444 0.3 . 1 . . . . . 220 THR C . 27588 1 626 . 1 1 198 198 THR CA C 13 62.776 0.3 . 1 . . . . . 220 THR CA . 27588 1 627 . 1 1 198 198 THR CB C 13 71.392 0.3 . 1 . . . . . 220 THR CB . 27588 1 628 . 1 1 198 198 THR CG2 C 13 21.783 0.3 . 1 . . . . . 220 THR CG2 . 27588 1 629 . 1 1 198 198 THR N N 15 109.423 0.3 . 1 . . . . . 220 THR N . 27588 1 630 . 1 1 199 199 SER H H 1 8.431 0.020 . 1 . . . . . 221 SER H . 27588 1 631 . 1 1 199 199 SER C C 13 174.359 0.3 . 1 . . . . . 221 SER C . 27588 1 632 . 1 1 199 199 SER CA C 13 60.470 0.3 . 1 . . . . . 221 SER CA . 27588 1 633 . 1 1 199 199 SER CB C 13 62.214 0.3 . 1 . . . . . 221 SER CB . 27588 1 634 . 1 1 199 199 SER N N 15 118.727 0.3 . 1 . . . . . 221 SER N . 27588 1 635 . 1 1 200 200 ASP H H 1 8.779 0.020 . 1 . . . . . 222 ASP H . 27588 1 636 . 1 1 200 200 ASP C C 13 175.864 0.3 . 1 . . . . . 222 ASP C . 27588 1 637 . 1 1 200 200 ASP CA C 13 53.776 0.3 . 1 . . . . . 222 ASP CA . 27588 1 638 . 1 1 200 200 ASP CB C 13 41.152 0.3 . 1 . . . . . 222 ASP CB . 27588 1 639 . 1 1 200 200 ASP N N 15 120.466 0.3 . 1 . . . . . 222 ASP N . 27588 1 640 . 1 1 201 201 THR H H 1 7.292 0.020 . 1 . . . . . 223 THR H . 27588 1 641 . 1 1 201 201 THR C C 13 173.093 0.3 . 1 . . . . . 223 THR C . 27588 1 642 . 1 1 201 201 THR CA C 13 57.846 0.3 . 1 . . . . . 223 THR CA . 27588 1 643 . 1 1 201 201 THR CB C 13 66.657 0.3 . 1 . . . . . 223 THR CB . 27588 1 644 . 1 1 201 201 THR N N 15 110.127 0.3 . 1 . . . . . 223 THR N . 27588 1 645 . 1 1 202 202 PRO C C 13 175.880 0.3 . 1 . . . . . 224 PRO C . 27588 1 646 . 1 1 202 202 PRO CA C 13 61.813 0.3 . 1 . . . . . 224 PRO CA . 27588 1 647 . 1 1 203 203 PHE H H 1 6.465 0.020 . 1 . . . . . 225 PHE H . 27588 1 648 . 1 1 203 203 PHE HD1 H 1 5.129 0.020 . 1 . . . . . 225 PHE HD1 . 27588 1 649 . 1 1 203 203 PHE HD2 H 1 5.129 0.020 . 1 . . . . . 225 PHE HD2 . 27588 1 650 . 1 1 203 203 PHE C C 13 174.039 0.3 . 1 . . . . . 225 PHE C . 27588 1 651 . 1 1 203 203 PHE CA C 13 56.402 0.3 . 1 . . . . . 225 PHE CA . 27588 1 652 . 1 1 203 203 PHE CB C 13 36.953 0.3 . 1 . . . . . 225 PHE CB . 27588 1 653 . 1 1 203 203 PHE N N 15 119.306 0.3 . 1 . . . . . 225 PHE N . 27588 1 654 . 1 1 204 204 ASP H H 1 7.855 0.020 . 1 . . . . . 226 ASP H . 27588 1 655 . 1 1 204 204 ASP C C 13 177.335 0.3 . 1 . . . . . 226 ASP C . 27588 1 656 . 1 1 204 204 ASP CA C 13 52.019 0.3 . 1 . . . . . 226 ASP CA . 27588 1 657 . 1 1 204 204 ASP CB C 13 41.485 0.3 . 1 . . . . . 226 ASP CB . 27588 1 658 . 1 1 204 204 ASP N N 15 122.471 0.3 . 1 . . . . . 226 ASP N . 27588 1 659 . 1 1 205 205 VAL H H 1 8.766 0.020 . 1 . . . . . 227 VAL H . 27588 1 660 . 1 1 205 205 VAL C C 13 176.539 0.3 . 1 . . . . . 227 VAL C . 27588 1 661 . 1 1 205 205 VAL CA C 13 59.958 0.3 . 1 . . . . . 227 VAL CA . 27588 1 662 . 1 1 205 205 VAL CB C 13 29.898 0.3 . 1 . . . . . 227 VAL CB . 27588 1 663 . 1 1 205 205 VAL N N 15 118.356 0.3 . 1 . . . . . 227 VAL N . 27588 1 664 . 1 1 206 206 SER H H 1 8.247 0.020 . 1 . . . . . 228 SER H . 27588 1 665 . 1 1 206 206 SER C C 13 178.486 0.3 . 1 . . . . . 228 SER C . 27588 1 666 . 1 1 206 206 SER CA C 13 62.136 0.3 . 1 . . . . . 228 SER CA . 27588 1 667 . 1 1 206 206 SER N N 15 117.547 0.3 . 1 . . . . . 228 SER N . 27588 1 668 . 1 1 212 212 PRO C C 13 174.785 0.3 . 1 . . . . . 234 PRO C . 27588 1 669 . 1 1 212 212 PRO CA C 13 62.905 0.3 . 1 . . . . . 234 PRO CA . 27588 1 670 . 1 1 212 212 PRO CB C 13 31.781 0.3 . 1 . . . . . 234 PRO CB . 27588 1 671 . 1 1 213 213 LYS H H 1 9.047 0.020 . 1 . . . . . 235 LYS H . 27588 1 672 . 1 1 213 213 LYS HA H 1 3.995 0.020 . 1 . . . . . 235 LYS HA . 27588 1 673 . 1 1 213 213 LYS HB2 H 1 1.383 0.020 . 1 . . . . . 235 LYS HB2 . 27588 1 674 . 1 1 213 213 LYS HB3 H 1 1.383 0.020 . 1 . . . . . 235 LYS HB3 . 27588 1 675 . 1 1 213 213 LYS HG2 H 1 1.091 0.020 . 1 . . . . . 235 LYS HG2 . 27588 1 676 . 1 1 213 213 LYS HG3 H 1 1.091 0.020 . 1 . . . . . 235 LYS HG3 . 27588 1 677 . 1 1 213 213 LYS HD2 H 1 1.292 0.020 . 1 . . . . . 235 LYS HD2 . 27588 1 678 . 1 1 213 213 LYS HD3 H 1 1.292 0.020 . 1 . . . . . 235 LYS HD3 . 27588 1 679 . 1 1 213 213 LYS HE2 H 1 2.836 0.020 . 1 . . . . . 235 LYS HE2 . 27588 1 680 . 1 1 213 213 LYS HE3 H 1 2.836 0.020 . 1 . . . . . 235 LYS HE3 . 27588 1 681 . 1 1 213 213 LYS C C 13 176.133 0.3 . 1 . . . . . 235 LYS C . 27588 1 682 . 1 1 213 213 LYS CA C 13 56.260 0.3 . 1 . . . . . 235 LYS CA . 27588 1 683 . 1 1 213 213 LYS CB C 13 31.128 0.3 . 1 . . . . . 235 LYS CB . 27588 1 684 . 1 1 213 213 LYS N N 15 123.385 0.3 . 1 . . . . . 235 LYS N . 27588 1 685 . 1 1 214 214 VAL H H 1 9.043 0.020 . 1 . . . . . 236 VAL H . 27588 1 686 . 1 1 214 214 VAL C C 13 175.920 0.3 . 1 . . . . . 236 VAL C . 27588 1 687 . 1 1 214 214 VAL CA C 13 59.799 0.3 . 1 . . . . . 236 VAL CA . 27588 1 688 . 1 1 214 214 VAL CB C 13 34.948 0.3 . 1 . . . . . 236 VAL CB . 27588 1 689 . 1 1 214 214 VAL N N 15 124.862 0.3 . 1 . . . . . 236 VAL N . 27588 1 690 . 1 1 227 227 PRO CA C 13 66.454 0.3 . 1 . . . . . 249 PRO CA . 27588 1 691 . 1 1 227 227 PRO CB C 13 31.510 0.3 . 1 . . . . . 249 PRO CB . 27588 1 692 . 1 1 228 228 ALA H H 1 7.401 0.020 . 1 . . . . . 250 ALA H . 27588 1 693 . 1 1 228 228 ALA C C 13 178.023 0.3 . 1 . . . . . 250 ALA C . 27588 1 694 . 1 1 228 228 ALA CA C 13 54.463 0.3 . 1 . . . . . 250 ALA CA . 27588 1 695 . 1 1 228 228 ALA CB C 13 17.063 0.3 . 1 . . . . . 250 ALA CB . 27588 1 696 . 1 1 228 228 ALA N N 15 116.015 0.3 . 1 . . . . . 250 ALA N . 27588 1 697 . 1 1 229 229 LYS H H 1 8.377 0.020 . 1 . . . . . 251 LYS H . 27588 1 698 . 1 1 229 229 LYS HA H 1 3.656 0.020 . 1 . . . . . 251 LYS HA . 27588 1 699 . 1 1 229 229 LYS HB2 H 1 1.794 0.020 . 1 . . . . . 251 LYS HB2 . 27588 1 700 . 1 1 229 229 LYS HB3 H 1 1.794 0.020 . 1 . . . . . 251 LYS HB3 . 27588 1 701 . 1 1 229 229 LYS HG2 H 1 1.321 0.020 . 1 . . . . . 251 LYS HG2 . 27588 1 702 . 1 1 229 229 LYS HG3 H 1 1.321 0.020 . 1 . . . . . 251 LYS HG3 . 27588 1 703 . 1 1 229 229 LYS HD2 H 1 1.583 0.020 . 1 . . . . . 251 LYS HD2 . 27588 1 704 . 1 1 229 229 LYS HD3 H 1 1.583 0.020 . 1 . . . . . 251 LYS HD3 . 27588 1 705 . 1 1 229 229 LYS HE2 H 1 2.933 0.020 . 1 . . . . . 251 LYS HE2 . 27588 1 706 . 1 1 229 229 LYS HE3 H 1 2.933 0.020 . 1 . . . . . 251 LYS HE3 . 27588 1 707 . 1 1 229 229 LYS C C 13 177.937 0.3 . 1 . . . . . 251 LYS C . 27588 1 708 . 1 1 229 229 LYS CA C 13 59.032 0.3 . 1 . . . . . 251 LYS CA . 27588 1 709 . 1 1 229 229 LYS CB C 13 31.844 0.3 . 1 . . . . . 251 LYS CB . 27588 1 710 . 1 1 229 229 LYS N N 15 117.763 0.3 . 1 . . . . . 251 LYS N . 27588 1 711 . 1 1 230 230 ALA H H 1 8.212 0.020 . 1 . . . . . 252 ALA H . 27588 1 712 . 1 1 230 230 ALA C C 13 177.848 0.3 . 1 . . . . . 252 ALA C . 27588 1 713 . 1 1 230 230 ALA CA C 13 53.974 0.3 . 1 . . . . . 252 ALA CA . 27588 1 714 . 1 1 230 230 ALA CB C 13 17.530 0.3 . 1 . . . . . 252 ALA CB . 27588 1 715 . 1 1 230 230 ALA N N 15 119.233 0.3 . 1 . . . . . 252 ALA N . 27588 1 716 . 1 1 231 231 LEU H H 1 10.276 0.020 . 1 . . . . . 253 LEU H . 27588 1 717 . 1 1 231 231 LEU CA C 13 54.162 0.3 . 1 . . . . . 253 LEU CA . 27588 1 718 . 1 1 231 231 LEU CB C 13 38.098 0.3 . 1 . . . . . 253 LEU CB . 27588 1 719 . 1 1 231 231 LEU N N 15 120.831 0.3 . 1 . . . . . 253 LEU N . 27588 1 720 . 1 1 233 233 ASP H H 1 8.945 0.020 . 1 . . . . . 255 ASP H . 27588 1 721 . 1 1 233 233 ASP C C 13 177.653 0.3 . 1 . . . . . 255 ASP C . 27588 1 722 . 1 1 233 233 ASP CA C 13 56.610 0.3 . 1 . . . . . 255 ASP CA . 27588 1 723 . 1 1 233 233 ASP CB C 13 39.288 0.3 . 1 . . . . . 255 ASP CB . 27588 1 724 . 1 1 233 233 ASP N N 15 122.772 0.3 . 1 . . . . . 255 ASP N . 27588 1 725 . 1 1 234 234 ALA H H 1 7.181 0.020 . 1 . . . . . 256 ALA H . 27588 1 726 . 1 1 234 234 ALA C C 13 177.912 0.3 . 1 . . . . . 256 ALA C . 27588 1 727 . 1 1 234 234 ALA CA C 13 51.430 0.3 . 1 . . . . . 256 ALA CA . 27588 1 728 . 1 1 234 234 ALA CB C 13 18.962 0.3 . 1 . . . . . 256 ALA CB . 27588 1 729 . 1 1 234 234 ALA N N 15 119.353 0.3 . 1 . . . . . 256 ALA N . 27588 1 730 . 1 1 235 235 GLY H H 1 8.093 0.020 . 1 . . . . . 257 GLY H . 27588 1 731 . 1 1 235 235 GLY C C 13 175.141 0.3 . 1 . . . . . 257 GLY C . 27588 1 732 . 1 1 235 235 GLY CA C 13 45.648 0.3 . 1 . . . . . 257 GLY CA . 27588 1 733 . 1 1 235 235 GLY N N 15 107.876 0.3 . 1 . . . . . 257 GLY N . 27588 1 734 . 1 1 236 236 TYR H H 1 7.902 0.020 . 1 . . . . . 258 TYR H . 27588 1 735 . 1 1 236 236 TYR C C 13 174.977 0.3 . 1 . . . . . 258 TYR C . 27588 1 736 . 1 1 236 236 TYR CA C 13 60.903 0.3 . 1 . . . . . 258 TYR CA . 27588 1 737 . 1 1 236 236 TYR CB C 13 35.560 0.3 . 1 . . . . . 258 TYR CB . 27588 1 738 . 1 1 236 236 TYR N N 15 120.521 0.3 . 1 . . . . . 258 TYR N . 27588 1 739 . 1 1 237 237 ASP H H 1 7.956 0.020 . 1 . . . . . 259 ASP H . 27588 1 740 . 1 1 237 237 ASP C C 13 176.857 0.3 . 1 . . . . . 259 ASP C . 27588 1 741 . 1 1 237 237 ASP CA C 13 56.582 0.3 . 1 . . . . . 259 ASP CA . 27588 1 742 . 1 1 237 237 ASP CB C 13 42.768 0.3 . 1 . . . . . 259 ASP CB . 27588 1 743 . 1 1 237 237 ASP N N 15 120.783 0.3 . 1 . . . . . 259 ASP N . 27588 1 744 . 1 1 244 244 VAL H H 1 8.331 0.020 . 1 . . . . . 266 VAL H . 27588 1 745 . 1 1 244 244 VAL C C 13 175.844 0.3 . 1 . . . . . 266 VAL C . 27588 1 746 . 1 1 244 244 VAL CA C 13 58.649 0.3 . 1 . . . . . 266 VAL CA . 27588 1 747 . 1 1 244 244 VAL CB C 13 31.700 0.3 . 1 . . . . . 266 VAL CB . 27588 1 748 . 1 1 244 244 VAL N N 15 110.274 0.3 . 1 . . . . . 266 VAL N . 27588 1 749 . 1 1 245 245 GLY H H 1 9.270 0.020 . 1 . . . . . 267 GLY H . 27588 1 750 . 1 1 245 245 GLY CA C 13 45.745 0.3 . 1 . . . . . 267 GLY CA . 27588 1 751 . 1 1 245 245 GLY N N 15 110.615 0.3 . 1 . . . . . 267 GLY N . 27588 1 752 . 1 1 247 247 GLY H H 1 7.807 0.020 . 1 . . . . . 269 GLY H . 27588 1 753 . 1 1 247 247 GLY C C 13 176.200 0.3 . 1 . . . . . 269 GLY C . 27588 1 754 . 1 1 247 247 GLY CA C 13 46.413 0.3 . 1 . . . . . 269 GLY CA . 27588 1 755 . 1 1 247 247 GLY N N 15 105.238 0.3 . 1 . . . . . 269 GLY N . 27588 1 756 . 1 1 248 248 ASN H H 1 8.946 0.020 . 1 . . . . . 270 ASN H . 27588 1 757 . 1 1 248 248 ASN C C 13 174.239 0.3 . 1 . . . . . 270 ASN C . 27588 1 758 . 1 1 248 248 ASN CA C 13 53.167 0.3 . 1 . . . . . 270 ASN CA . 27588 1 759 . 1 1 248 248 ASN CB C 13 38.174 0.3 . 1 . . . . . 270 ASN CB . 27588 1 760 . 1 1 248 248 ASN N N 15 122.594 0.3 . 1 . . . . . 270 ASN N . 27588 1 761 . 1 1 249 249 LEU H H 1 8.370 0.020 . 1 . . . . . 271 LEU H . 27588 1 762 . 1 1 249 249 LEU C C 13 175.214 0.3 . 1 . . . . . 271 LEU C . 27588 1 763 . 1 1 249 249 LEU CA C 13 53.424 0.3 . 1 . . . . . 271 LEU CA . 27588 1 764 . 1 1 249 249 LEU CB C 13 44.183 0.3 . 1 . . . . . 271 LEU CB . 27588 1 765 . 1 1 249 249 LEU N N 15 117.442 0.3 . 1 . . . . . 271 LEU N . 27588 1 766 . 1 1 250 250 TYR H H 1 8.052 0.020 . 1 . . . . . 272 TYR H . 27588 1 767 . 1 1 250 250 TYR C C 13 178.503 0.3 . 1 . . . . . 272 TYR C . 27588 1 768 . 1 1 250 250 TYR CA C 13 58.764 0.3 . 1 . . . . . 272 TYR CA . 27588 1 769 . 1 1 250 250 TYR CB C 13 38.965 0.3 . 1 . . . . . 272 TYR CB . 27588 1 770 . 1 1 250 250 TYR N N 15 123.548 0.3 . 1 . . . . . 272 TYR N . 27588 1 771 . 1 1 251 251 LYS H H 1 7.241 0.020 . 1 . . . . . 273 LYS H . 27588 1 772 . 1 1 251 251 LYS HA H 1 3.930 0.020 . 1 . . . . . 273 LYS HA . 27588 1 773 . 1 1 251 251 LYS HB2 H 1 1.675 0.020 . 1 . . . . . 273 LYS HB2 . 27588 1 774 . 1 1 251 251 LYS HB3 H 1 1.675 0.020 . 1 . . . . . 273 LYS HB3 . 27588 1 775 . 1 1 251 251 LYS HG2 H 1 1.071 0.020 . 1 . . . . . 273 LYS HG2 . 27588 1 776 . 1 1 251 251 LYS HG3 H 1 1.071 0.020 . 1 . . . . . 273 LYS HG3 . 27588 1 777 . 1 1 251 251 LYS HD2 H 1 1.425 0.020 . 1 . . . . . 273 LYS HD2 . 27588 1 778 . 1 1 251 251 LYS HD3 H 1 1.425 0.020 . 1 . . . . . 273 LYS HD3 . 27588 1 779 . 1 1 251 251 LYS HE2 H 1 2.863 0.020 . 1 . . . . . 273 LYS HE2 . 27588 1 780 . 1 1 251 251 LYS HE3 H 1 2.863 0.020 . 1 . . . . . 273 LYS HE3 . 27588 1 781 . 1 1 251 251 LYS C C 13 176.292 0.3 . 1 . . . . . 273 LYS C . 27588 1 782 . 1 1 251 251 LYS CA C 13 59.930 0.3 . 1 . . . . . 273 LYS CA . 27588 1 783 . 1 1 251 251 LYS CB C 13 30.888 0.3 . 1 . . . . . 273 LYS CB . 27588 1 784 . 1 1 251 251 LYS N N 15 129.238 0.3 . 1 . . . . . 273 LYS N . 27588 1 785 . 1 1 252 252 SER H H 1 6.474 0.020 . 1 . . . . . 274 SER H . 27588 1 786 . 1 1 252 252 SER C C 13 176.974 0.3 . 1 . . . . . 274 SER C . 27588 1 787 . 1 1 252 252 SER CA C 13 60.939 0.3 . 1 . . . . . 274 SER CA . 27588 1 788 . 1 1 252 252 SER CB C 13 61.592 0.3 . 1 . . . . . 274 SER CB . 27588 1 789 . 1 1 252 252 SER N N 15 112.483 0.3 . 1 . . . . . 274 SER N . 27588 1 790 . 1 1 253 253 VAL H H 1 7.345 0.020 . 1 . . . . . 275 VAL H . 27588 1 791 . 1 1 253 253 VAL C C 13 177.122 0.3 . 1 . . . . . 275 VAL C . 27588 1 792 . 1 1 253 253 VAL CA C 13 66.264 0.3 . 1 . . . . . 275 VAL CA . 27588 1 793 . 1 1 253 253 VAL CB C 13 30.478 0.3 . 1 . . . . . 275 VAL CB . 27588 1 794 . 1 1 253 253 VAL N N 15 125.390 0.3 . 1 . . . . . 275 VAL N . 27588 1 795 . 1 1 254 254 PHE H H 1 8.617 0.020 . 1 . . . . . 276 PHE H . 27588 1 796 . 1 1 254 254 PHE C C 13 177.486 0.3 . 1 . . . . . 276 PHE C . 27588 1 797 . 1 1 254 254 PHE CA C 13 60.529 0.3 . 1 . . . . . 276 PHE CA . 27588 1 798 . 1 1 254 254 PHE CB C 13 37.381 0.3 . 1 . . . . . 276 PHE CB . 27588 1 799 . 1 1 254 254 PHE N N 15 121.487 0.3 . 1 . . . . . 276 PHE N . 27588 1 800 . 1 1 255 255 ASP H H 1 8.489 0.020 . 1 . . . . . 277 ASP H . 27588 1 801 . 1 1 255 255 ASP C C 13 179.304 0.3 . 1 . . . . . 277 ASP C . 27588 1 802 . 1 1 255 255 ASP CA C 13 57.437 0.3 . 1 . . . . . 277 ASP CA . 27588 1 803 . 1 1 255 255 ASP CB C 13 39.618 0.3 . 1 . . . . . 277 ASP CB . 27588 1 804 . 1 1 255 255 ASP N N 15 118.039 0.3 . 1 . . . . . 277 ASP N . 27588 1 805 . 1 1 256 256 THR H H 1 7.435 0.020 . 1 . . . . . 278 THR H . 27588 1 806 . 1 1 256 256 THR C C 13 176.690 0.3 . 1 . . . . . 278 THR C . 27588 1 807 . 1 1 256 256 THR CA C 13 66.870 0.3 . 1 . . . . . 278 THR CA . 27588 1 808 . 1 1 256 256 THR CB C 13 68.068 0.3 . 1 . . . . . 278 THR CB . 27588 1 809 . 1 1 256 256 THR CG2 C 13 22.280 0.3 . 1 . . . . . 278 THR CG2 . 27588 1 810 . 1 1 256 256 THR N N 15 116.733 0.3 . 1 . . . . . 278 THR N . 27588 1 811 . 1 1 257 257 LEU H H 1 8.502 0.020 . 1 . . . . . 279 LEU H . 27588 1 812 . 1 1 257 257 LEU C C 13 178.287 0.3 . 1 . . . . . 279 LEU C . 27588 1 813 . 1 1 257 257 LEU CA C 13 57.178 0.3 . 1 . . . . . 279 LEU CA . 27588 1 814 . 1 1 257 257 LEU CB C 13 38.378 0.3 . 1 . . . . . 279 LEU CB . 27588 1 815 . 1 1 257 257 LEU N N 15 121.768 0.3 . 1 . . . . . 279 LEU N . 27588 1 816 . 1 1 258 258 ALA H H 1 9.292 0.020 . 1 . . . . . 280 ALA H . 27588 1 817 . 1 1 258 258 ALA C C 13 181.186 0.3 . 1 . . . . . 280 ALA C . 27588 1 818 . 1 1 258 258 ALA CA C 13 55.089 0.3 . 1 . . . . . 280 ALA CA . 27588 1 819 . 1 1 258 258 ALA CB C 13 17.206 0.3 . 1 . . . . . 280 ALA CB . 27588 1 820 . 1 1 258 258 ALA N N 15 123.499 0.3 . 1 . . . . . 280 ALA N . 27588 1 821 . 1 1 259 259 THR H H 1 7.617 0.020 . 1 . . . . . 281 THR H . 27588 1 822 . 1 1 259 259 THR C C 13 176.513 0.3 . 1 . . . . . 281 THR C . 27588 1 823 . 1 1 259 259 THR CA C 13 66.050 0.3 . 1 . . . . . 281 THR CA . 27588 1 824 . 1 1 259 259 THR CB C 13 68.030 0.3 . 1 . . . . . 281 THR CB . 27588 1 825 . 1 1 259 259 THR N N 15 115.639 0.3 . 1 . . . . . 281 THR N . 27588 1 826 . 1 1 260 260 ALA H H 1 7.952 0.020 . 1 . . . . . 282 ALA H . 27588 1 827 . 1 1 260 260 ALA C C 13 179.910 0.3 . 1 . . . . . 282 ALA C . 27588 1 828 . 1 1 260 260 ALA CA C 13 54.180 0.3 . 1 . . . . . 282 ALA CA . 27588 1 829 . 1 1 260 260 ALA CB C 13 16.727 0.3 . 1 . . . . . 282 ALA CB . 27588 1 830 . 1 1 260 260 ALA N N 15 125.038 0.3 . 1 . . . . . 282 ALA N . 27588 1 831 . 1 1 261 261 ALA H H 1 8.626 0.020 . 1 . . . . . 283 ALA H . 27588 1 832 . 1 1 261 261 ALA C C 13 181.509 0.3 . 1 . . . . . 283 ALA C . 27588 1 833 . 1 1 261 261 ALA CA C 13 53.848 0.3 . 1 . . . . . 283 ALA CA . 27588 1 834 . 1 1 261 261 ALA CB C 13 17.421 0.3 . 1 . . . . . 283 ALA CB . 27588 1 835 . 1 1 261 261 ALA N N 15 121.945 0.3 . 1 . . . . . 283 ALA N . 27588 1 836 . 1 1 262 262 LYS H H 1 7.449 0.020 . 1 . . . . . 284 LYS H . 27588 1 837 . 1 1 262 262 LYS HA H 1 4.255 0.020 . 1 . . . . . 284 LYS HA . 27588 1 838 . 1 1 262 262 LYS HB2 H 1 2.071 0.020 . 1 . . . . . 284 LYS HB2 . 27588 1 839 . 1 1 262 262 LYS HB3 H 1 2.071 0.020 . 1 . . . . . 284 LYS HB3 . 27588 1 840 . 1 1 262 262 LYS HG2 H 1 1.588 0.020 . 1 . . . . . 284 LYS HG2 . 27588 1 841 . 1 1 262 262 LYS HG3 H 1 1.588 0.020 . 1 . . . . . 284 LYS HG3 . 27588 1 842 . 1 1 262 262 LYS HD2 H 1 1.723 0.020 . 1 . . . . . 284 LYS HD2 . 27588 1 843 . 1 1 262 262 LYS HD3 H 1 1.723 0.020 . 1 . . . . . 284 LYS HD3 . 27588 1 844 . 1 1 262 262 LYS HE2 H 1 3.025 0.020 . 1 . . . . . 284 LYS HE2 . 27588 1 845 . 1 1 262 262 LYS HE3 H 1 3.025 0.020 . 1 . . . . . 284 LYS HE3 . 27588 1 846 . 1 1 262 262 LYS C C 13 178.408 0.3 . 1 . . . . . 284 LYS C . 27588 1 847 . 1 1 262 262 LYS CA C 13 57.525 0.3 . 1 . . . . . 284 LYS CA . 27588 1 848 . 1 1 262 262 LYS CB C 13 31.510 0.3 . 1 . . . . . 284 LYS CB . 27588 1 849 . 1 1 262 262 LYS N N 15 117.346 0.3 . 1 . . . . . 284 LYS N . 27588 1 850 . 1 1 263 263 THR H H 1 7.670 0.020 . 1 . . . . . 285 THR H . 27588 1 851 . 1 1 263 263 THR C C 13 175.141 0.3 . 1 . . . . . 285 THR C . 27588 1 852 . 1 1 263 263 THR CA C 13 61.079 0.3 . 1 . . . . . 285 THR CA . 27588 1 853 . 1 1 263 263 THR CB C 13 68.573 0.3 . 1 . . . . . 285 THR CB . 27588 1 854 . 1 1 263 263 THR N N 15 108.509 0.3 . 1 . . . . . 285 THR N . 27588 1 855 . 1 1 264 264 GLY H H 1 7.560 0.020 . 1 . . . . . 286 GLY H . 27588 1 856 . 1 1 264 264 GLY C C 13 174.665 0.3 . 1 . . . . . 286 GLY C . 27588 1 857 . 1 1 264 264 GLY CA C 13 45.109 0.3 . 1 . . . . . 286 GLY CA . 27588 1 858 . 1 1 264 264 GLY N N 15 107.876 0.3 . 1 . . . . . 286 GLY N . 27588 1 859 . 1 1 265 265 THR H H 1 7.992 0.020 . 1 . . . . . 287 THR H . 27588 1 860 . 1 1 265 265 THR C C 13 173.048 0.3 . 1 . . . . . 287 THR C . 27588 1 861 . 1 1 265 265 THR CA C 13 63.722 0.3 . 1 . . . . . 287 THR CA . 27588 1 862 . 1 1 265 265 THR CB C 13 68.382 0.3 . 1 . . . . . 287 THR CB . 27588 1 863 . 1 1 265 265 THR N N 15 121.758 0.3 . 1 . . . . . 287 THR N . 27588 1 864 . 1 1 266 266 ALA H H 1 7.864 0.020 . 1 . . . . . 288 ALA H . 27588 1 865 . 1 1 266 266 ALA C C 13 176.079 0.3 . 1 . . . . . 288 ALA C . 27588 1 866 . 1 1 266 266 ALA CA C 13 51.508 0.3 . 1 . . . . . 288 ALA CA . 27588 1 867 . 1 1 266 266 ALA CB C 13 19.674 0.3 . 1 . . . . . 288 ALA CB . 27588 1 868 . 1 1 266 266 ALA N N 15 129.645 0.3 . 1 . . . . . 288 ALA N . 27588 1 869 . 1 1 267 267 VAL H H 1 9.163 0.020 . 1 . . . . . 289 VAL H . 27588 1 870 . 1 1 267 267 VAL C C 13 174.657 0.3 . 1 . . . . . 289 VAL C . 27588 1 871 . 1 1 267 267 VAL CA C 13 60.645 0.3 . 1 . . . . . 289 VAL CA . 27588 1 872 . 1 1 267 267 VAL CB C 13 33.867 0.3 . 1 . . . . . 289 VAL CB . 27588 1 873 . 1 1 267 267 VAL N N 15 124.124 0.3 . 1 . . . . . 289 VAL N . 27588 1 874 . 1 1 271 271 SER H H 1 8.722 0.020 . 1 . . . . . 293 SER H . 27588 1 875 . 1 1 271 271 SER C C 13 173.800 0.3 . 1 . . . . . 293 SER C . 27588 1 876 . 1 1 271 271 SER CA C 13 56.023 0.3 . 1 . . . . . 293 SER CA . 27588 1 877 . 1 1 271 271 SER CB C 13 62.928 0.3 . 1 . . . . . 293 SER CB . 27588 1 878 . 1 1 271 271 SER N N 15 115.261 0.3 . 1 . . . . . 293 SER N . 27588 1 879 . 1 1 272 272 ARG H H 1 9.533 0.020 . 1 . . . . . 294 ARG H . 27588 1 880 . 1 1 272 272 ARG C C 13 174.758 0.3 . 1 . . . . . 294 ARG C . 27588 1 881 . 1 1 272 272 ARG CA C 13 55.145 0.3 . 1 . . . . . 294 ARG CA . 27588 1 882 . 1 1 272 272 ARG CB C 13 27.816 0.3 . 1 . . . . . 294 ARG CB . 27588 1 883 . 1 1 272 272 ARG N N 15 125.734 0.3 . 1 . . . . . 294 ARG N . 27588 1 884 . 1 1 273 273 VAL H H 1 9.119 0.020 . 1 . . . . . 295 VAL H . 27588 1 885 . 1 1 273 273 VAL CA C 13 59.896 0.3 . 1 . . . . . 295 VAL CA . 27588 1 886 . 1 1 273 273 VAL CB C 13 35.047 0.3 . 1 . . . . . 295 VAL CB . 27588 1 887 . 1 1 273 273 VAL N N 15 125.148 0.3 . 1 . . . . . 295 VAL N . 27588 1 888 . 1 1 274 274 PRO C C 13 176.516 0.3 . 1 . . . . . 296 PRO C . 27588 1 889 . 1 1 275 275 THR H H 1 7.264 0.020 . 1 . . . . . 297 THR H . 27588 1 890 . 1 1 275 275 THR C C 13 173.470 0.3 . 1 . . . . . 297 THR C . 27588 1 891 . 1 1 275 275 THR CA C 13 59.696 0.3 . 1 . . . . . 297 THR CA . 27588 1 892 . 1 1 275 275 THR CB C 13 72.422 0.3 . 1 . . . . . 297 THR CB . 27588 1 893 . 1 1 275 275 THR CG2 C 13 20.754 0.3 . 1 . . . . . 297 THR CG2 . 27588 1 894 . 1 1 275 275 THR N N 15 109.092 0.3 . 1 . . . . . 297 THR N . 27588 1 895 . 1 1 276 276 GLY H H 1 8.511 0.020 . 1 . . . . . 298 GLY H . 27588 1 896 . 1 1 276 276 GLY C C 13 172.425 0.3 . 1 . . . . . 298 GLY C . 27588 1 897 . 1 1 276 276 GLY CA C 13 43.029 0.3 . 1 . . . . . 298 GLY CA . 27588 1 898 . 1 1 276 276 GLY N N 15 109.177 0.3 . 1 . . . . . 298 GLY N . 27588 1 899 . 1 1 277 277 ALA H H 1 7.679 0.020 . 1 . . . . . 299 ALA H . 27588 1 900 . 1 1 277 277 ALA C C 13 178.103 0.3 . 1 . . . . . 299 ALA C . 27588 1 901 . 1 1 277 277 ALA CA C 13 49.815 0.3 . 1 . . . . . 299 ALA CA . 27588 1 902 . 1 1 277 277 ALA CB C 13 19.150 0.3 . 1 . . . . . 299 ALA CB . 27588 1 903 . 1 1 277 277 ALA N N 15 118.497 0.3 . 1 . . . . . 299 ALA N . 27588 1 904 . 1 1 278 278 THR H H 1 7.867 0.020 . 1 . . . . . 300 THR H . 27588 1 905 . 1 1 278 278 THR C C 13 177.078 0.3 . 1 . . . . . 300 THR C . 27588 1 906 . 1 1 278 278 THR CA C 13 62.991 0.3 . 1 . . . . . 300 THR CA . 27588 1 907 . 1 1 278 278 THR CB C 13 66.115 0.3 . 1 . . . . . 300 THR CB . 27588 1 908 . 1 1 278 278 THR N N 15 120.946 0.3 . 1 . . . . . 300 THR N . 27588 1 909 . 1 1 279 279 THR H H 1 8.845 0.020 . 1 . . . . . 301 THR H . 27588 1 910 . 1 1 279 279 THR C C 13 176.481 0.3 . 1 . . . . . 301 THR C . 27588 1 911 . 1 1 279 279 THR CA C 13 60.657 0.3 . 1 . . . . . 301 THR CA . 27588 1 912 . 1 1 279 279 THR CB C 13 70.237 0.3 . 1 . . . . . 301 THR CB . 27588 1 913 . 1 1 279 279 THR CG2 C 13 21.828 0.3 . 1 . . . . . 301 THR CG2 . 27588 1 914 . 1 1 279 279 THR N N 15 119.270 0.3 . 1 . . . . . 301 THR N . 27588 1 915 . 1 1 280 280 GLN H H 1 8.277 0.020 . 1 . . . . . 302 GLN H . 27588 1 916 . 1 1 280 280 GLN C C 13 176.172 0.3 . 1 . . . . . 302 GLN C . 27588 1 917 . 1 1 280 280 GLN CA C 13 55.960 0.3 . 1 . . . . . 302 GLN CA . 27588 1 918 . 1 1 280 280 GLN CB C 13 30.155 0.3 . 1 . . . . . 302 GLN CB . 27588 1 919 . 1 1 280 280 GLN N N 15 119.235 0.3 . 1 . . . . . 302 GLN N . 27588 1 920 . 1 1 281 281 ASP H H 1 9.089 0.020 . 1 . . . . . 303 ASP H . 27588 1 921 . 1 1 281 281 ASP C C 13 175.006 0.3 . 1 . . . . . 303 ASP C . 27588 1 922 . 1 1 281 281 ASP CA C 13 55.161 0.3 . 1 . . . . . 303 ASP CA . 27588 1 923 . 1 1 281 281 ASP CB C 13 39.448 0.3 . 1 . . . . . 303 ASP CB . 27588 1 924 . 1 1 281 281 ASP N N 15 118.722 0.3 . 1 . . . . . 303 ASP N . 27588 1 925 . 1 1 282 282 ALA H H 1 8.229 0.020 . 1 . . . . . 304 ALA H . 27588 1 926 . 1 1 282 282 ALA C C 13 177.605 0.3 . 1 . . . . . 304 ALA C . 27588 1 927 . 1 1 282 282 ALA CA C 13 51.401 0.3 . 1 . . . . . 304 ALA CA . 27588 1 928 . 1 1 282 282 ALA CB C 13 17.584 0.3 . 1 . . . . . 304 ALA CB . 27588 1 929 . 1 1 282 282 ALA N N 15 124.364 0.3 . 1 . . . . . 304 ALA N . 27588 1 930 . 1 1 283 283 GLU H H 1 8.210 0.020 . 1 . . . . . 305 GLU H . 27588 1 931 . 1 1 283 283 GLU C C 13 176.628 0.3 . 1 . . . . . 305 GLU C . 27588 1 932 . 1 1 283 283 GLU CA C 13 57.429 0.3 . 1 . . . . . 305 GLU CA . 27588 1 933 . 1 1 283 283 GLU CB C 13 29.568 0.3 . 1 . . . . . 305 GLU CB . 27588 1 934 . 1 1 283 283 GLU N N 15 119.345 0.3 . 1 . . . . . 305 GLU N . 27588 1 935 . 1 1 284 284 VAL H H 1 7.622 0.020 . 1 . . . . . 306 VAL H . 27588 1 936 . 1 1 284 284 VAL C C 13 175.234 0.3 . 1 . . . . . 306 VAL C . 27588 1 937 . 1 1 284 284 VAL CA C 13 61.240 0.3 . 1 . . . . . 306 VAL CA . 27588 1 938 . 1 1 284 284 VAL CB C 13 32.846 0.3 . 1 . . . . . 306 VAL CB . 27588 1 939 . 1 1 284 284 VAL N N 15 118.251 0.3 . 1 . . . . . 306 VAL N . 27588 1 940 . 1 1 285 285 ASP H H 1 8.531 0.020 . 1 . . . . . 307 ASP H . 27588 1 941 . 1 1 285 285 ASP C C 13 175.144 0.3 . 1 . . . . . 307 ASP C . 27588 1 942 . 1 1 285 285 ASP CA C 13 52.027 0.3 . 1 . . . . . 307 ASP CA . 27588 1 943 . 1 1 285 285 ASP CB C 13 38.265 0.3 . 1 . . . . . 307 ASP CB . 27588 1 944 . 1 1 285 285 ASP CG C 13 180.043 0.3 . 1 . . . . . 307 ASP CG . 27588 1 945 . 1 1 285 285 ASP N N 15 126.926 0.3 . 1 . . . . . 307 ASP N . 27588 1 946 . 1 1 286 286 ASP H H 1 7.865 0.020 . 1 . . . . . 308 ASP H . 27588 1 947 . 1 1 286 286 ASP C C 13 179.060 0.3 . 1 . . . . . 308 ASP C . 27588 1 948 . 1 1 286 286 ASP CA C 13 59.017 0.3 . 1 . . . . . 308 ASP CA . 27588 1 949 . 1 1 286 286 ASP CB C 13 40.538 0.3 . 1 . . . . . 308 ASP CB . 27588 1 950 . 1 1 286 286 ASP N N 15 126.189 0.3 . 1 . . . . . 308 ASP N . 27588 1 951 . 1 1 287 287 ALA H H 1 8.361 0.020 . 1 . . . . . 309 ALA H . 27588 1 952 . 1 1 287 287 ALA C C 13 179.988 0.3 . 1 . . . . . 309 ALA C . 27588 1 953 . 1 1 287 287 ALA CA C 13 53.932 0.3 . 1 . . . . . 309 ALA CA . 27588 1 954 . 1 1 287 287 ALA CB C 13 17.168 0.3 . 1 . . . . . 309 ALA CB . 27588 1 955 . 1 1 287 287 ALA N N 15 120.712 0.3 . 1 . . . . . 309 ALA N . 27588 1 956 . 1 1 288 288 LYS H H 1 7.280 0.020 . 1 . . . . . 310 LYS H . 27588 1 957 . 1 1 288 288 LYS HA H 1 3.753 0.020 . 1 . . . . . 310 LYS HA . 27588 1 958 . 1 1 288 288 LYS HB2 H 1 1.261 0.020 . 1 . . . . . 310 LYS HB2 . 27588 1 959 . 1 1 288 288 LYS HB3 H 1 1.261 0.020 . 1 . . . . . 310 LYS HB3 . 27588 1 960 . 1 1 288 288 LYS HG2 H 1 0.228 0.020 . 1 . . . . . 310 LYS HG2 . 27588 1 961 . 1 1 288 288 LYS HG3 H 1 0.228 0.020 . 1 . . . . . 310 LYS HG3 . 27588 1 962 . 1 1 288 288 LYS HD2 H 1 0.961 0.020 . 1 . . . . . 310 LYS HD2 . 27588 1 963 . 1 1 288 288 LYS HD3 H 1 0.961 0.020 . 1 . . . . . 310 LYS HD3 . 27588 1 964 . 1 1 288 288 LYS HE2 H 1 2.575 0.020 . 1 . . . . . 310 LYS HE2 . 27588 1 965 . 1 1 288 288 LYS HE3 H 1 2.575 0.020 . 1 . . . . . 310 LYS HE3 . 27588 1 966 . 1 1 288 288 LYS C C 13 177.810 0.3 . 1 . . . . . 310 LYS C . 27588 1 967 . 1 1 288 288 LYS CA C 13 57.770 0.3 . 1 . . . . . 310 LYS CA . 27588 1 968 . 1 1 288 288 LYS CB C 13 31.253 0.3 . 1 . . . . . 310 LYS CB . 27588 1 969 . 1 1 288 288 LYS CE C 13 42.299 0.3 . 1 . . . . . 310 LYS CE . 27588 1 970 . 1 1 288 288 LYS N N 15 118.919 0.3 . 1 . . . . . 310 LYS N . 27588 1 971 . 1 1 289 289 TYR H H 1 6.842 0.020 . 1 . . . . . 311 TYR H . 27588 1 972 . 1 1 289 289 TYR C C 13 175.310 0.3 . 1 . . . . . 311 TYR C . 27588 1 973 . 1 1 289 289 TYR CA C 13 58.412 0.3 . 1 . . . . . 311 TYR CA . 27588 1 974 . 1 1 289 289 TYR CB C 13 37.237 0.3 . 1 . . . . . 311 TYR CB . 27588 1 975 . 1 1 289 289 TYR N N 15 113.684 0.3 . 1 . . . . . 311 TYR N . 27588 1 976 . 1 1 290 290 GLY H H 1 7.820 0.020 . 1 . . . . . 312 GLY H . 27588 1 977 . 1 1 290 290 GLY C C 13 174.201 0.3 . 1 . . . . . 312 GLY C . 27588 1 978 . 1 1 290 290 GLY CA C 13 45.276 0.3 . 1 . . . . . 312 GLY CA . 27588 1 979 . 1 1 290 290 GLY N N 15 107.348 0.3 . 1 . . . . . 312 GLY N . 27588 1 980 . 1 1 291 291 PHE H H 1 7.420 0.020 . 1 . . . . . 313 PHE H . 27588 1 981 . 1 1 291 291 PHE C C 13 174.907 0.3 . 1 . . . . . 313 PHE C . 27588 1 982 . 1 1 291 291 PHE CA C 13 52.007 0.3 . 1 . . . . . 313 PHE CA . 27588 1 983 . 1 1 291 291 PHE CB C 13 39.068 0.3 . 1 . . . . . 313 PHE CB . 27588 1 984 . 1 1 291 291 PHE N N 15 116.476 0.3 . 1 . . . . . 313 PHE N . 27588 1 985 . 1 1 292 292 VAL H H 1 7.852 0.020 . 1 . . . . . 314 VAL H . 27588 1 986 . 1 1 292 292 VAL C C 13 173.915 0.3 . 1 . . . . . 314 VAL C . 27588 1 987 . 1 1 292 292 VAL CA C 13 60.077 0.3 . 1 . . . . . 314 VAL CA . 27588 1 988 . 1 1 292 292 VAL CB C 13 33.855 0.3 . 1 . . . . . 314 VAL CB . 27588 1 989 . 1 1 292 292 VAL N N 15 119.827 0.3 . 1 . . . . . 314 VAL N . 27588 1 990 . 1 1 293 293 ALA H H 1 9.153 0.020 . 1 . . . . . 315 ALA H . 27588 1 991 . 1 1 293 293 ALA C C 13 179.438 0.3 . 1 . . . . . 315 ALA C . 27588 1 992 . 1 1 293 293 ALA CA C 13 50.987 0.3 . 1 . . . . . 315 ALA CA . 27588 1 993 . 1 1 293 293 ALA CB C 13 19.256 0.3 . 1 . . . . . 315 ALA CB . 27588 1 994 . 1 1 293 293 ALA N N 15 130.794 0.3 . 1 . . . . . 315 ALA N . 27588 1 995 . 1 1 295 295 GLY H H 1 8.514 0.020 . 1 . . . . . 317 GLY H . 27588 1 996 . 1 1 295 295 GLY C C 13 176.933 0.3 . 1 . . . . . 317 GLY C . 27588 1 997 . 1 1 295 295 GLY CA C 13 45.971 0.3 . 1 . . . . . 317 GLY CA . 27588 1 998 . 1 1 295 295 GLY N N 15 116.134 0.3 . 1 . . . . . 317 GLY N . 27588 1 999 . 1 1 296 296 THR H H 1 9.439 0.020 . 1 . . . . . 318 THR H . 27588 1 1000 . 1 1 296 296 THR C C 13 174.657 0.3 . 1 . . . . . 318 THR C . 27588 1 1001 . 1 1 296 296 THR CA C 13 63.434 0.3 . 1 . . . . . 318 THR CA . 27588 1 1002 . 1 1 296 296 THR CB C 13 67.861 0.3 . 1 . . . . . 318 THR CB . 27588 1 1003 . 1 1 296 296 THR N N 15 117.899 0.3 . 1 . . . . . 318 THR N . 27588 1 1004 . 1 1 297 297 LEU H H 1 6.966 0.020 . 1 . . . . . 319 LEU H . 27588 1 1005 . 1 1 297 297 LEU C C 13 175.547 0.3 . 1 . . . . . 319 LEU C . 27588 1 1006 . 1 1 297 297 LEU CA C 13 54.771 0.3 . 1 . . . . . 319 LEU CA . 27588 1 1007 . 1 1 297 297 LEU CB C 13 40.718 0.3 . 1 . . . . . 319 LEU CB . 27588 1 1008 . 1 1 297 297 LEU N N 15 120.150 0.3 . 1 . . . . . 319 LEU N . 27588 1 1009 . 1 1 298 298 ASN H H 1 7.344 0.020 . 1 . . . . . 320 ASN H . 27588 1 1010 . 1 1 298 298 ASN C C 13 173.376 0.3 . 1 . . . . . 320 ASN C . 27588 1 1011 . 1 1 298 298 ASN CA C 13 51.287 0.3 . 1 . . . . . 320 ASN CA . 27588 1 1012 . 1 1 298 298 ASN CB C 13 35.651 0.3 . 1 . . . . . 320 ASN CB . 27588 1 1013 . 1 1 298 298 ASN N N 15 124.639 0.3 . 1 . . . . . 320 ASN N . 27588 1 1014 . 1 1 311 311 THR H H 1 7.615 0.020 . 1 . . . . . 333 THR H . 27588 1 1015 . 1 1 311 311 THR C C 13 175.027 0.3 . 1 . . . . . 333 THR C . 27588 1 1016 . 1 1 311 311 THR CA C 13 63.373 0.3 . 1 . . . . . 333 THR CA . 27588 1 1017 . 1 1 311 311 THR CB C 13 69.608 0.3 . 1 . . . . . 333 THR CB . 27588 1 1018 . 1 1 311 311 THR CG2 C 13 20.526 0.3 . 1 . . . . . 333 THR CG2 . 27588 1 1019 . 1 1 311 311 THR N N 15 110.384 0.3 . 1 . . . . . 333 THR N . 27588 1 1020 . 1 1 312 312 GLN H H 1 8.062 0.020 . 1 . . . . . 334 GLN H . 27588 1 1021 . 1 1 312 312 GLN C C 13 175.436 0.3 . 1 . . . . . 334 GLN C . 27588 1 1022 . 1 1 312 312 GLN CA C 13 55.463 0.3 . 1 . . . . . 334 GLN CA . 27588 1 1023 . 1 1 312 312 GLN CB C 13 30.479 0.3 . 1 . . . . . 334 GLN CB . 27588 1 1024 . 1 1 312 312 GLN CG C 13 33.018 0.3 . 1 . . . . . 334 GLN CG . 27588 1 1025 . 1 1 312 312 GLN CD C 13 178.875 0.3 . 1 . . . . . 334 GLN CD . 27588 1 1026 . 1 1 312 312 GLN N N 15 119.200 0.3 . 1 . . . . . 334 GLN N . 27588 1 1027 . 1 1 313 313 THR H H 1 8.523 0.020 . 1 . . . . . 335 THR H . 27588 1 1028 . 1 1 313 313 THR C C 13 169.463 0.3 . 1 . . . . . 335 THR C . 27588 1 1029 . 1 1 313 313 THR CA C 13 60.197 0.3 . 1 . . . . . 335 THR CA . 27588 1 1030 . 1 1 313 313 THR CB C 13 67.861 0.3 . 1 . . . . . 335 THR CB . 27588 1 1031 . 1 1 313 313 THR N N 15 116.205 0.3 . 1 . . . . . 335 THR N . 27588 1 1032 . 1 1 314 314 LYS H H 1 7.994 0.020 . 1 . . . . . 336 LYS H . 27588 1 1033 . 1 1 314 314 LYS HA H 1 4.722 0.020 . 1 . . . . . 336 LYS HA . 27588 1 1034 . 1 1 314 314 LYS HB2 H 1 1.916 0.020 . 1 . . . . . 336 LYS HB2 . 27588 1 1035 . 1 1 314 314 LYS HB3 H 1 1.916 0.020 . 1 . . . . . 336 LYS HB3 . 27588 1 1036 . 1 1 314 314 LYS HG2 H 1 1.411 0.020 . 1 . . . . . 336 LYS HG2 . 27588 1 1037 . 1 1 314 314 LYS HG3 H 1 1.411 0.020 . 1 . . . . . 336 LYS HG3 . 27588 1 1038 . 1 1 314 314 LYS HD2 H 1 1.720 0.020 . 1 . . . . . 336 LYS HD2 . 27588 1 1039 . 1 1 314 314 LYS HD3 H 1 1.720 0.020 . 1 . . . . . 336 LYS HD3 . 27588 1 1040 . 1 1 314 314 LYS HE2 H 1 3.021 0.020 . 1 . . . . . 336 LYS HE2 . 27588 1 1041 . 1 1 314 314 LYS HE3 H 1 3.021 0.020 . 1 . . . . . 336 LYS HE3 . 27588 1 1042 . 1 1 314 314 LYS C C 13 176.432 0.3 . 1 . . . . . 336 LYS C . 27588 1 1043 . 1 1 314 314 LYS CA C 13 54.270 0.3 . 1 . . . . . 336 LYS CA . 27588 1 1044 . 1 1 314 314 LYS CB C 13 32.413 0.3 . 1 . . . . . 336 LYS CB . 27588 1 1045 . 1 1 314 314 LYS N N 15 120.501 0.3 . 1 . . . . . 336 LYS N . 27588 1 1046 . 1 1 315 315 ASP H H 1 8.412 0.020 . 1 . . . . . 337 ASP H . 27588 1 1047 . 1 1 315 315 ASP C C 13 175.339 0.3 . 1 . . . . . 337 ASP C . 27588 1 1048 . 1 1 315 315 ASP CA C 13 51.274 0.3 . 1 . . . . . 337 ASP CA . 27588 1 1049 . 1 1 315 315 ASP CB C 13 42.013 0.3 . 1 . . . . . 337 ASP CB . 27588 1 1050 . 1 1 315 315 ASP N N 15 125.181 0.3 . 1 . . . . . 337 ASP N . 27588 1 1051 . 1 1 316 316 PRO C C 13 178.483 0.3 . 1 . . . . . 338 PRO C . 27588 1 1052 . 1 1 316 316 PRO CA C 13 65.273 0.3 . 1 . . . . . 338 PRO CA . 27588 1 1053 . 1 1 316 316 PRO CB C 13 31.281 0.3 . 1 . . . . . 338 PRO CB . 27588 1 1054 . 1 1 317 317 GLN H H 1 8.040 0.020 . 1 . . . . . 339 GLN H . 27588 1 1055 . 1 1 317 317 GLN C C 13 179.650 0.3 . 1 . . . . . 339 GLN C . 27588 1 1056 . 1 1 317 317 GLN CA C 13 58.670 0.3 . 1 . . . . . 339 GLN CA . 27588 1 1057 . 1 1 317 317 GLN CB C 13 27.477 0.3 . 1 . . . . . 339 GLN CB . 27588 1 1058 . 1 1 317 317 GLN CG C 13 33.847 0.3 . 1 . . . . . 339 GLN CG . 27588 1 1059 . 1 1 317 317 GLN CD C 13 180.529 0.3 . 1 . . . . . 339 GLN CD . 27588 1 1060 . 1 1 317 317 GLN N N 15 116.703 0.3 . 1 . . . . . 339 GLN N . 27588 1 1061 . 1 1 318 318 GLN H H 1 7.585 0.020 . 1 . . . . . 340 GLN H . 27588 1 1062 . 1 1 318 318 GLN C C 13 179.672 0.3 . 1 . . . . . 340 GLN C . 27588 1 1063 . 1 1 318 318 GLN CA C 13 57.583 0.3 . 1 . . . . . 340 GLN CA . 27588 1 1064 . 1 1 318 318 GLN CB C 13 27.656 0.3 . 1 . . . . . 340 GLN CB . 27588 1 1065 . 1 1 318 318 GLN N N 15 119.677 0.3 . 1 . . . . . 340 GLN N . 27588 1 1066 . 1 1 319 319 ILE H H 1 8.723 0.020 . 1 . . . . . 341 ILE H . 27588 1 1067 . 1 1 319 319 ILE C C 13 178.230 0.3 . 1 . . . . . 341 ILE C . 27588 1 1068 . 1 1 319 319 ILE CA C 13 66.023 0.3 . 1 . . . . . 341 ILE CA . 27588 1 1069 . 1 1 319 319 ILE CB C 13 35.990 0.3 . 1 . . . . . 341 ILE CB . 27588 1 1070 . 1 1 319 319 ILE N N 15 122.013 0.3 . 1 . . . . . 341 ILE N . 27588 1 1071 . 1 1 320 320 GLN H H 1 8.632 0.020 . 1 . . . . . 342 GLN H . 27588 1 1072 . 1 1 320 320 GLN C C 13 178.086 0.3 . 1 . . . . . 342 GLN C . 27588 1 1073 . 1 1 320 320 GLN CA C 13 58.160 0.3 . 1 . . . . . 342 GLN CA . 27588 1 1074 . 1 1 320 320 GLN CB C 13 27.846 0.3 . 1 . . . . . 342 GLN CB . 27588 1 1075 . 1 1 320 320 GLN CG C 13 35.658 0.3 . 1 . . . . . 342 GLN CG . 27588 1 1076 . 1 1 320 320 GLN CD C 13 183.929 0.3 . 1 . . . . . 342 GLN CD . 27588 1 1077 . 1 1 320 320 GLN N N 15 120.935 0.3 . 1 . . . . . 342 GLN N . 27588 1 1078 . 1 1 321 321 GLN H H 1 7.621 0.020 . 1 . . . . . 343 GLN H . 27588 1 1079 . 1 1 321 321 GLN C C 13 178.851 0.3 . 1 . . . . . 343 GLN C . 27588 1 1080 . 1 1 321 321 GLN CA C 13 59.528 0.3 . 1 . . . . . 343 GLN CA . 27588 1 1081 . 1 1 321 321 GLN CB C 13 29.554 0.3 . 1 . . . . . 343 GLN CB . 27588 1 1082 . 1 1 321 321 GLN N N 15 119.116 0.3 . 1 . . . . . 343 GLN N . 27588 1 1083 . 1 1 322 322 ILE H H 1 7.992 0.020 . 1 . . . . . 344 ILE H . 27588 1 1084 . 1 1 322 322 ILE C C 13 178.621 0.3 . 1 . . . . . 344 ILE C . 27588 1 1085 . 1 1 322 322 ILE CA C 13 66.141 0.3 . 1 . . . . . 344 ILE CA . 27588 1 1086 . 1 1 322 322 ILE CB C 13 37.346 0.3 . 1 . . . . . 344 ILE CB . 27588 1 1087 . 1 1 322 322 ILE N N 15 121.808 0.3 . 1 . . . . . 344 ILE N . 27588 1 stop_ save_