data_53083 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53083 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of the nuclease domain (residues 2-349) of flap endonuclease from Plasmodium falciparum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-28 _Entry.Accession_date 2025-04-28 _Entry.Last_release_date 2025-04-28 _Entry.Original_release_date 2025-04-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Rodolpho 'do Aido-Machado' . . . 0000-0001-6331-4216 53083 2 Nicola Baxter . J. . 0009-0000-8292-7800 53083 3 Michelle Rowe . L. . 0000-0002-9237-1540 53083 4 Jonathan Waltho . P. . 0000-0002-7402-5492 53083 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53083 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 931 53083 '15N chemical shifts' 298 53083 '1H chemical shifts' 298 53083 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-08-11 . original BMRB . 53083 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53083 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40781450 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone resonance assignments of flap endonuclease from Plasmodium falciparum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _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 Rodolpho 'do Aido-Machado' . . . . 53083 1 2 Nicola Baxter . J. . . 53083 1 3 Michelle Rowe . L. . . 53083 1 4 Manoj Pohare . B. . . 53083 1 5 Srdjan Vitovski . . . . 53083 1 6 Jon Sayers . R. . . 53083 1 7 Jonathan Waltho . P. . . 53083 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone resonance assignment' 53083 1 'Early-stage drug discovery' 53083 1 'Flap endonuclease' 53083 1 'Plasmodium falciparum' 53083 1 'Transverse relaxation optimised spectroscopy' 53083 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53083 _Assembly.ID 1 _Assembly.Name fen _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 39625.59 _Assembly.Enzyme_commission_number 'EC 3.1.99.B1' _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fen, chain 1' 1 $entity_1 . . yes native no no . enzyme . 53083 1 2 'fen, chain 2' 1 $entity_1 . . yes native no no . enzyme . 53083 1 3 'Mg ion, 1' 2 $entity_MG . . no native no no . 'catalytic ion' 'two magnesium ions are coordinated in the enzyme active site' 53083 1 4 'Mg ion, 2' 2 $entity_MG . . no native no no . 'catalytic ion' 'two magnesium ions are coordinated in the enzyme active site' 53083 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53083 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIKGLTKFIADAAPNAIKEI KIESLMGRIIAIDASMSLYQ FIIAIRDSEQYGNLTNESGE TTSHISGLMSRSIRLMENGL KPIYVFDGAPPELKGSELEK RGEKRQKAEELLKKAKEEGN LEEIKKQSGRTVRVTRKQNE EAKKLLTLMGIPIIEAPCEA ESQCAFLTKYNLAHATATED ADALVFGTKILIRNLNANAT SNQNKNKNNSKRGYILTEIN LEQVLKGLNLTMDEFIDFCI LCGCDYCDTIKGIGSKTAYN LIKEYNCIEKIIENIDQNKY QVPSNFRFQEARKSFINPNV LPKEDIKIDWNEPQIEELKH FLIKDYNFNELRVTNYINRL LKARKVTT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M1-G2-I3-K4-G5-.....-T349 _Entity.Polymer_author_seq_details 'M1 is not present for the system under study' _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 348 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'EC 3.1.99.B1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 39635.59 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'flap endonuclease' 53083 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 GLY . 53083 1 2 3 ILE . 53083 1 3 4 LYS . 53083 1 4 5 GLY . 53083 1 5 6 LEU . 53083 1 6 7 THR . 53083 1 7 8 LYS . 53083 1 8 9 PHE . 53083 1 9 10 ILE . 53083 1 10 11 ALA . 53083 1 11 12 ASP . 53083 1 12 13 ALA . 53083 1 13 14 ALA . 53083 1 14 15 PRO . 53083 1 15 16 ASN . 53083 1 16 17 ALA . 53083 1 17 18 ILE . 53083 1 18 19 LYS . 53083 1 19 20 GLU . 53083 1 20 21 ILE . 53083 1 21 22 LYS . 53083 1 22 23 ILE . 53083 1 23 24 GLU . 53083 1 24 25 SER . 53083 1 25 26 LEU . 53083 1 26 27 MET . 53083 1 27 28 GLY . 53083 1 28 29 ARG . 53083 1 29 30 ILE . 53083 1 30 31 ILE . 53083 1 31 32 ALA . 53083 1 32 33 ILE . 53083 1 33 34 ASP . 53083 1 34 35 ALA . 53083 1 35 36 SER . 53083 1 36 37 MET . 53083 1 37 38 SER . 53083 1 38 39 LEU . 53083 1 39 40 TYR . 53083 1 40 41 GLN . 53083 1 41 42 PHE . 53083 1 42 43 ILE . 53083 1 43 44 ILE . 53083 1 44 45 ALA . 53083 1 45 46 ILE . 53083 1 46 47 ARG . 53083 1 47 48 ASP . 53083 1 48 49 SER . 53083 1 49 50 GLU . 53083 1 50 51 GLN . 53083 1 51 52 TYR . 53083 1 52 53 GLY . 53083 1 53 54 ASN . 53083 1 54 55 LEU . 53083 1 55 56 THR . 53083 1 56 57 ASN . 53083 1 57 58 GLU . 53083 1 58 59 SER . 53083 1 59 60 GLY . 53083 1 60 61 GLU . 53083 1 61 62 THR . 53083 1 62 63 THR . 53083 1 63 64 SER . 53083 1 64 65 HIS . 53083 1 65 66 ILE . 53083 1 66 67 SER . 53083 1 67 68 GLY . 53083 1 68 69 LEU . 53083 1 69 70 MET . 53083 1 70 71 SER . 53083 1 71 72 ARG . 53083 1 72 73 SER . 53083 1 73 74 ILE . 53083 1 74 75 ARG . 53083 1 75 76 LEU . 53083 1 76 77 MET . 53083 1 77 78 GLU . 53083 1 78 79 ASN . 53083 1 79 80 GLY . 53083 1 80 81 LEU . 53083 1 81 82 LYS . 53083 1 82 83 PRO . 53083 1 83 84 ILE . 53083 1 84 85 TYR . 53083 1 85 86 VAL . 53083 1 86 87 PHE . 53083 1 87 88 ASP . 53083 1 88 89 GLY . 53083 1 89 90 ALA . 53083 1 90 91 PRO . 53083 1 91 92 PRO . 53083 1 92 93 GLU . 53083 1 93 94 LEU . 53083 1 94 95 LYS . 53083 1 95 96 GLY . 53083 1 96 97 SER . 53083 1 97 98 GLU . 53083 1 98 99 LEU . 53083 1 99 100 GLU . 53083 1 100 101 LYS . 53083 1 101 102 ARG . 53083 1 102 103 GLY . 53083 1 103 104 GLU . 53083 1 104 105 LYS . 53083 1 105 106 ARG . 53083 1 106 107 GLN . 53083 1 107 108 LYS . 53083 1 108 109 ALA . 53083 1 109 110 GLU . 53083 1 110 111 GLU . 53083 1 111 112 LEU . 53083 1 112 113 LEU . 53083 1 113 114 LYS . 53083 1 114 115 LYS . 53083 1 115 116 ALA . 53083 1 116 117 LYS . 53083 1 117 118 GLU . 53083 1 118 119 GLU . 53083 1 119 120 GLY . 53083 1 120 121 ASN . 53083 1 121 122 LEU . 53083 1 122 123 GLU . 53083 1 123 124 GLU . 53083 1 124 125 ILE . 53083 1 125 126 LYS . 53083 1 126 127 LYS . 53083 1 127 128 GLN . 53083 1 128 129 SER . 53083 1 129 130 GLY . 53083 1 130 131 ARG . 53083 1 131 132 THR . 53083 1 132 133 VAL . 53083 1 133 134 ARG . 53083 1 134 135 VAL . 53083 1 135 136 THR . 53083 1 136 137 ARG . 53083 1 137 138 LYS . 53083 1 138 139 GLN . 53083 1 139 140 ASN . 53083 1 140 141 GLU . 53083 1 141 142 GLU . 53083 1 142 143 ALA . 53083 1 143 144 LYS . 53083 1 144 145 LYS . 53083 1 145 146 LEU . 53083 1 146 147 LEU . 53083 1 147 148 THR . 53083 1 148 149 LEU . 53083 1 149 150 MET . 53083 1 150 151 GLY . 53083 1 151 152 ILE . 53083 1 152 153 PRO . 53083 1 153 154 ILE . 53083 1 154 155 ILE . 53083 1 155 156 GLU . 53083 1 156 157 ALA . 53083 1 157 158 PRO . 53083 1 158 159 CYS . 53083 1 159 160 GLU . 53083 1 160 161 ALA . 53083 1 161 162 GLU . 53083 1 162 163 SER . 53083 1 163 164 GLN . 53083 1 164 165 CYS . 53083 1 165 166 ALA . 53083 1 166 167 PHE . 53083 1 167 168 LEU . 53083 1 168 169 THR . 53083 1 169 170 LYS . 53083 1 170 171 TYR . 53083 1 171 172 ASN . 53083 1 172 173 LEU . 53083 1 173 174 ALA . 53083 1 174 175 HIS . 53083 1 175 176 ALA . 53083 1 176 177 THR . 53083 1 177 178 ALA . 53083 1 178 179 THR . 53083 1 179 180 GLU . 53083 1 180 181 ASP . 53083 1 181 182 ALA . 53083 1 182 183 ASP . 53083 1 183 184 ALA . 53083 1 184 185 LEU . 53083 1 185 186 VAL . 53083 1 186 187 PHE . 53083 1 187 188 GLY . 53083 1 188 189 THR . 53083 1 189 190 LYS . 53083 1 190 191 ILE . 53083 1 191 192 LEU . 53083 1 192 193 ILE . 53083 1 193 194 ARG . 53083 1 194 195 ASN . 53083 1 195 196 LEU . 53083 1 196 197 ASN . 53083 1 197 198 ALA . 53083 1 198 199 ASN . 53083 1 199 200 ALA . 53083 1 200 201 THR . 53083 1 201 202 SER . 53083 1 202 203 ASN . 53083 1 203 204 GLN . 53083 1 204 205 ASN . 53083 1 205 206 LYS . 53083 1 206 207 ASN . 53083 1 207 208 LYS . 53083 1 208 209 ASN . 53083 1 209 210 ASN . 53083 1 210 211 SER . 53083 1 211 212 LYS . 53083 1 212 213 ARG . 53083 1 213 214 GLY . 53083 1 214 215 TYR . 53083 1 215 216 ILE . 53083 1 216 217 LEU . 53083 1 217 218 THR . 53083 1 218 219 GLU . 53083 1 219 220 ILE . 53083 1 220 221 ASN . 53083 1 221 222 LEU . 53083 1 222 223 GLU . 53083 1 223 224 GLN . 53083 1 224 225 VAL . 53083 1 225 226 LEU . 53083 1 226 227 LYS . 53083 1 227 228 GLY . 53083 1 228 229 LEU . 53083 1 229 230 ASN . 53083 1 230 231 LEU . 53083 1 231 232 THR . 53083 1 232 233 MET . 53083 1 233 234 ASP . 53083 1 234 235 GLU . 53083 1 235 236 PHE . 53083 1 236 237 ILE . 53083 1 237 238 ASP . 53083 1 238 239 PHE . 53083 1 239 240 CYS . 53083 1 240 241 ILE . 53083 1 241 242 LEU . 53083 1 242 243 CYS . 53083 1 243 244 GLY . 53083 1 244 245 CYS . 53083 1 245 246 ASP . 53083 1 246 247 TYR . 53083 1 247 248 CYS . 53083 1 248 249 ASP . 53083 1 249 250 THR . 53083 1 250 251 ILE . 53083 1 251 252 LYS . 53083 1 252 253 GLY . 53083 1 253 254 ILE . 53083 1 254 255 GLY . 53083 1 255 256 SER . 53083 1 256 257 LYS . 53083 1 257 258 THR . 53083 1 258 259 ALA . 53083 1 259 260 TYR . 53083 1 260 261 ASN . 53083 1 261 262 LEU . 53083 1 262 263 ILE . 53083 1 263 264 LYS . 53083 1 264 265 GLU . 53083 1 265 266 TYR . 53083 1 266 267 ASN . 53083 1 267 268 CYS . 53083 1 268 269 ILE . 53083 1 269 270 GLU . 53083 1 270 271 LYS . 53083 1 271 272 ILE . 53083 1 272 273 ILE . 53083 1 273 274 GLU . 53083 1 274 275 ASN . 53083 1 275 276 ILE . 53083 1 276 277 ASP . 53083 1 277 278 GLN . 53083 1 278 279 ASN . 53083 1 279 280 LYS . 53083 1 280 281 TYR . 53083 1 281 282 GLN . 53083 1 282 283 VAL . 53083 1 283 284 PRO . 53083 1 284 285 SER . 53083 1 285 286 ASN . 53083 1 286 287 PHE . 53083 1 287 288 ARG . 53083 1 288 289 PHE . 53083 1 289 290 GLN . 53083 1 290 291 GLU . 53083 1 291 292 ALA . 53083 1 292 293 ARG . 53083 1 293 294 LYS . 53083 1 294 295 SER . 53083 1 295 296 PHE . 53083 1 296 297 ILE . 53083 1 297 298 ASN . 53083 1 298 299 PRO . 53083 1 299 300 ASN . 53083 1 300 301 VAL . 53083 1 301 302 LEU . 53083 1 302 303 PRO . 53083 1 303 304 LYS . 53083 1 304 305 GLU . 53083 1 305 306 ASP . 53083 1 306 307 ILE . 53083 1 307 308 LYS . 53083 1 308 309 ILE . 53083 1 309 310 ASP . 53083 1 310 311 TRP . 53083 1 311 312 ASN . 53083 1 312 313 GLU . 53083 1 313 314 PRO . 53083 1 314 315 GLN . 53083 1 315 316 ILE . 53083 1 316 317 GLU . 53083 1 317 318 GLU . 53083 1 318 319 LEU . 53083 1 319 320 LYS . 53083 1 320 321 HIS . 53083 1 321 322 PHE . 53083 1 322 323 LEU . 53083 1 323 324 ILE . 53083 1 324 325 LYS . 53083 1 325 326 ASP . 53083 1 326 327 TYR . 53083 1 327 328 ASN . 53083 1 328 329 PHE . 53083 1 329 330 ASN . 53083 1 330 331 GLU . 53083 1 331 332 LEU . 53083 1 332 333 ARG . 53083 1 333 334 VAL . 53083 1 334 335 THR . 53083 1 335 336 ASN . 53083 1 336 337 TYR . 53083 1 337 338 ILE . 53083 1 338 339 ASN . 53083 1 339 340 ARG . 53083 1 340 341 LEU . 53083 1 341 342 LEU . 53083 1 342 343 LYS . 53083 1 343 344 ALA . 53083 1 344 345 ARG . 53083 1 345 346 LYS . 53083 1 346 347 VAL . 53083 1 347 348 THR . 53083 1 348 349 THR . 53083 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 . GLY 1 1 53083 1 . ILE 2 2 53083 1 . LYS 3 3 53083 1 . GLY 4 4 53083 1 . LEU 5 5 53083 1 . THR 6 6 53083 1 . LYS 7 7 53083 1 . PHE 8 8 53083 1 . ILE 9 9 53083 1 . ALA 10 10 53083 1 . ASP 11 11 53083 1 . ALA 12 12 53083 1 . ALA 13 13 53083 1 . PRO 14 14 53083 1 . ASN 15 15 53083 1 . ALA 16 16 53083 1 . ILE 17 17 53083 1 . LYS 18 18 53083 1 . GLU 19 19 53083 1 . ILE 20 20 53083 1 . LYS 21 21 53083 1 . ILE 22 22 53083 1 . GLU 23 23 53083 1 . SER 24 24 53083 1 . LEU 25 25 53083 1 . MET 26 26 53083 1 . GLY 27 27 53083 1 . ARG 28 28 53083 1 . ILE 29 29 53083 1 . ILE 30 30 53083 1 . ALA 31 31 53083 1 . ILE 32 32 53083 1 . ASP 33 33 53083 1 . ALA 34 34 53083 1 . SER 35 35 53083 1 . MET 36 36 53083 1 . SER 37 37 53083 1 . LEU 38 38 53083 1 . TYR 39 39 53083 1 . GLN 40 40 53083 1 . PHE 41 41 53083 1 . ILE 42 42 53083 1 . ILE 43 43 53083 1 . ALA 44 44 53083 1 . ILE 45 45 53083 1 . ARG 46 46 53083 1 . ASP 47 47 53083 1 . SER 48 48 53083 1 . GLU 49 49 53083 1 . GLN 50 50 53083 1 . TYR 51 51 53083 1 . GLY 52 52 53083 1 . ASN 53 53 53083 1 . LEU 54 54 53083 1 . THR 55 55 53083 1 . ASN 56 56 53083 1 . GLU 57 57 53083 1 . SER 58 58 53083 1 . GLY 59 59 53083 1 . GLU 60 60 53083 1 . THR 61 61 53083 1 . THR 62 62 53083 1 . SER 63 63 53083 1 . HIS 64 64 53083 1 . ILE 65 65 53083 1 . SER 66 66 53083 1 . GLY 67 67 53083 1 . LEU 68 68 53083 1 . MET 69 69 53083 1 . SER 70 70 53083 1 . ARG 71 71 53083 1 . SER 72 72 53083 1 . ILE 73 73 53083 1 . ARG 74 74 53083 1 . LEU 75 75 53083 1 . MET 76 76 53083 1 . GLU 77 77 53083 1 . ASN 78 78 53083 1 . GLY 79 79 53083 1 . LEU 80 80 53083 1 . LYS 81 81 53083 1 . PRO 82 82 53083 1 . ILE 83 83 53083 1 . TYR 84 84 53083 1 . VAL 85 85 53083 1 . PHE 86 86 53083 1 . ASP 87 87 53083 1 . GLY 88 88 53083 1 . ALA 89 89 53083 1 . PRO 90 90 53083 1 . PRO 91 91 53083 1 . GLU 92 92 53083 1 . LEU 93 93 53083 1 . LYS 94 94 53083 1 . GLY 95 95 53083 1 . SER 96 96 53083 1 . GLU 97 97 53083 1 . LEU 98 98 53083 1 . GLU 99 99 53083 1 . LYS 100 100 53083 1 . ARG 101 101 53083 1 . GLY 102 102 53083 1 . GLU 103 103 53083 1 . LYS 104 104 53083 1 . ARG 105 105 53083 1 . GLN 106 106 53083 1 . LYS 107 107 53083 1 . ALA 108 108 53083 1 . GLU 109 109 53083 1 . GLU 110 110 53083 1 . LEU 111 111 53083 1 . LEU 112 112 53083 1 . LYS 113 113 53083 1 . LYS 114 114 53083 1 . ALA 115 115 53083 1 . LYS 116 116 53083 1 . GLU 117 117 53083 1 . GLU 118 118 53083 1 . GLY 119 119 53083 1 . ASN 120 120 53083 1 . LEU 121 121 53083 1 . GLU 122 122 53083 1 . GLU 123 123 53083 1 . ILE 124 124 53083 1 . LYS 125 125 53083 1 . LYS 126 126 53083 1 . GLN 127 127 53083 1 . SER 128 128 53083 1 . GLY 129 129 53083 1 . ARG 130 130 53083 1 . THR 131 131 53083 1 . VAL 132 132 53083 1 . ARG 133 133 53083 1 . VAL 134 134 53083 1 . THR 135 135 53083 1 . ARG 136 136 53083 1 . LYS 137 137 53083 1 . GLN 138 138 53083 1 . ASN 139 139 53083 1 . GLU 140 140 53083 1 . GLU 141 141 53083 1 . ALA 142 142 53083 1 . LYS 143 143 53083 1 . LYS 144 144 53083 1 . LEU 145 145 53083 1 . LEU 146 146 53083 1 . THR 147 147 53083 1 . LEU 148 148 53083 1 . MET 149 149 53083 1 . GLY 150 150 53083 1 . ILE 151 151 53083 1 . PRO 152 152 53083 1 . ILE 153 153 53083 1 . ILE 154 154 53083 1 . GLU 155 155 53083 1 . ALA 156 156 53083 1 . PRO 157 157 53083 1 . CYS 158 158 53083 1 . GLU 159 159 53083 1 . ALA 160 160 53083 1 . GLU 161 161 53083 1 . SER 162 162 53083 1 . GLN 163 163 53083 1 . CYS 164 164 53083 1 . ALA 165 165 53083 1 . PHE 166 166 53083 1 . LEU 167 167 53083 1 . THR 168 168 53083 1 . LYS 169 169 53083 1 . TYR 170 170 53083 1 . ASN 171 171 53083 1 . LEU 172 172 53083 1 . ALA 173 173 53083 1 . HIS 174 174 53083 1 . ALA 175 175 53083 1 . THR 176 176 53083 1 . ALA 177 177 53083 1 . THR 178 178 53083 1 . GLU 179 179 53083 1 . ASP 180 180 53083 1 . ALA 181 181 53083 1 . ASP 182 182 53083 1 . ALA 183 183 53083 1 . LEU 184 184 53083 1 . VAL 185 185 53083 1 . PHE 186 186 53083 1 . GLY 187 187 53083 1 . THR 188 188 53083 1 . LYS 189 189 53083 1 . ILE 190 190 53083 1 . LEU 191 191 53083 1 . ILE 192 192 53083 1 . ARG 193 193 53083 1 . ASN 194 194 53083 1 . LEU 195 195 53083 1 . ASN 196 196 53083 1 . ALA 197 197 53083 1 . ASN 198 198 53083 1 . ALA 199 199 53083 1 . THR 200 200 53083 1 . SER 201 201 53083 1 . ASN 202 202 53083 1 . GLN 203 203 53083 1 . ASN 204 204 53083 1 . LYS 205 205 53083 1 . ASN 206 206 53083 1 . LYS 207 207 53083 1 . ASN 208 208 53083 1 . ASN 209 209 53083 1 . SER 210 210 53083 1 . LYS 211 211 53083 1 . ARG 212 212 53083 1 . GLY 213 213 53083 1 . TYR 214 214 53083 1 . ILE 215 215 53083 1 . LEU 216 216 53083 1 . THR 217 217 53083 1 . GLU 218 218 53083 1 . ILE 219 219 53083 1 . ASN 220 220 53083 1 . LEU 221 221 53083 1 . GLU 222 222 53083 1 . GLN 223 223 53083 1 . VAL 224 224 53083 1 . LEU 225 225 53083 1 . LYS 226 226 53083 1 . GLY 227 227 53083 1 . LEU 228 228 53083 1 . ASN 229 229 53083 1 . LEU 230 230 53083 1 . THR 231 231 53083 1 . MET 232 232 53083 1 . ASP 233 233 53083 1 . GLU 234 234 53083 1 . PHE 235 235 53083 1 . ILE 236 236 53083 1 . ASP 237 237 53083 1 . PHE 238 238 53083 1 . CYS 239 239 53083 1 . ILE 240 240 53083 1 . LEU 241 241 53083 1 . CYS 242 242 53083 1 . GLY 243 243 53083 1 . CYS 244 244 53083 1 . ASP 245 245 53083 1 . TYR 246 246 53083 1 . CYS 247 247 53083 1 . ASP 248 248 53083 1 . THR 249 249 53083 1 . ILE 250 250 53083 1 . LYS 251 251 53083 1 . GLY 252 252 53083 1 . ILE 253 253 53083 1 . GLY 254 254 53083 1 . SER 255 255 53083 1 . LYS 256 256 53083 1 . THR 257 257 53083 1 . ALA 258 258 53083 1 . TYR 259 259 53083 1 . ASN 260 260 53083 1 . LEU 261 261 53083 1 . ILE 262 262 53083 1 . LYS 263 263 53083 1 . GLU 264 264 53083 1 . TYR 265 265 53083 1 . ASN 266 266 53083 1 . CYS 267 267 53083 1 . ILE 268 268 53083 1 . GLU 269 269 53083 1 . LYS 270 270 53083 1 . ILE 271 271 53083 1 . ILE 272 272 53083 1 . GLU 273 273 53083 1 . ASN 274 274 53083 1 . ILE 275 275 53083 1 . ASP 276 276 53083 1 . GLN 277 277 53083 1 . ASN 278 278 53083 1 . LYS 279 279 53083 1 . TYR 280 280 53083 1 . GLN 281 281 53083 1 . VAL 282 282 53083 1 . PRO 283 283 53083 1 . SER 284 284 53083 1 . ASN 285 285 53083 1 . PHE 286 286 53083 1 . ARG 287 287 53083 1 . PHE 288 288 53083 1 . GLN 289 289 53083 1 . GLU 290 290 53083 1 . ALA 291 291 53083 1 . ARG 292 292 53083 1 . LYS 293 293 53083 1 . SER 294 294 53083 1 . PHE 295 295 53083 1 . ILE 296 296 53083 1 . ASN 297 297 53083 1 . PRO 298 298 53083 1 . ASN 299 299 53083 1 . VAL 300 300 53083 1 . LEU 301 301 53083 1 . PRO 302 302 53083 1 . LYS 303 303 53083 1 . GLU 304 304 53083 1 . ASP 305 305 53083 1 . ILE 306 306 53083 1 . LYS 307 307 53083 1 . ILE 308 308 53083 1 . ASP 309 309 53083 1 . TRP 310 310 53083 1 . ASN 311 311 53083 1 . GLU 312 312 53083 1 . PRO 313 313 53083 1 . GLN 314 314 53083 1 . ILE 315 315 53083 1 . GLU 316 316 53083 1 . GLU 317 317 53083 1 . LEU 318 318 53083 1 . LYS 319 319 53083 1 . HIS 320 320 53083 1 . PHE 321 321 53083 1 . LEU 322 322 53083 1 . ILE 323 323 53083 1 . LYS 324 324 53083 1 . ASP 325 325 53083 1 . TYR 326 326 53083 1 . ASN 327 327 53083 1 . PHE 328 328 53083 1 . ASN 329 329 53083 1 . GLU 330 330 53083 1 . LEU 331 331 53083 1 . ARG 332 332 53083 1 . VAL 333 333 53083 1 . THR 334 334 53083 1 . ASN 335 335 53083 1 . TYR 336 336 53083 1 . ILE 337 337 53083 1 . ASN 338 338 53083 1 . ARG 339 339 53083 1 . LEU 340 340 53083 1 . LEU 341 341 53083 1 . LYS 342 342 53083 1 . ALA 343 343 53083 1 . ARG 344 344 53083 1 . LYS 345 345 53083 1 . VAL 346 346 53083 1 . THR 347 347 53083 1 . THR 348 348 53083 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 53083 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 53083 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 53083 2 MG 'Three letter code' 53083 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 53083 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53083 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 5833 organism . 'Plasmodium falciparum' 'Plasmodium falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . 53083 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53083 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pTTQ18-T5 . . . 53083 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 53083 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 53083 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 53083 MG [Mg++] SMILES CACTVS 3.341 53083 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 53083 MG [Mg+2] SMILES ACDLabs 10.04 53083 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 53083 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53083 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 53083 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53083 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 53083 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53083 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 fen_pf '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.75 . . mM . . . . 53083 1 2 'magnesium chloride' 'natural abundance' . . 2 $entity_MG . . 10.0 . . mM . . . . 53083 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20.0 . . mM . . . . 53083 1 4 'potassium chloride' 'natural abundance' . . . . . . 30.0 . . mM . . . . 53083 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 53083 1 6 'sodium azide' 'natural abundance' . . . . . . 2.0 . . mM . . . . 53083 1 7 TCEP 'natural abundance' . . . . . . 2.0 . . mM . . . . 53083 1 8 TSP '[U-100% 2H]' . . . . . . 1.0 . . mM . . . . 53083 1 9 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53083 1 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53083 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53083 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.111 . M 53083 1 pH 7.4 . pH 53083 1 pressure 1 . atm 53083 1 temperature 298 . K 53083 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53083 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53083 1 processing . 53083 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53083 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53083 2 'peak picking' . 53083 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53083 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53083 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53083 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53083 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 3 '3D TROSY-HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 4 '3D TROSY-HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 5 '3D TROSY-HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 6 '3D TROSY-HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 7 '3D TROSY-HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 8 '3D TROSY-HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 9 '3D TROSY-(H)N(COCA)NNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 10 '3D TROSY-H(NCOCA)NNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53083 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53083 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53083 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53083 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53083 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53083 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'fen chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '1D 1H' . . . 53083 1 2 '2D 1H-15N TROSY' . . . 53083 1 3 '3D TROSY-HNCA' . . . 53083 1 4 '3D TROSY-HN(CO)CA' . . . 53083 1 5 '3D TROSY-HN(CA)CO' . . . 53083 1 6 '3D TROSY-HNCO' . . . 53083 1 7 '3D TROSY-HNCACB' . . . 53083 1 8 '3D TROSY-HN(CO)CACB' . . . 53083 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' 1 . . 53083 1 'TROSY offset' 'amide nitrogens' 15 . . 53083 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53083 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 167.746 0.050 . 1 . . . . . 2 GLY C . 53083 1 2 . 1 . 1 1 1 GLY CA C 13 40.946 0.050 . 1 . . . . . 2 GLY CA . 53083 1 3 . 1 . 1 2 2 ILE H H 1 8.272 0.005 . 1 . . . . . 3 ILE HN . 53083 1 4 . 1 . 1 2 2 ILE C C 13 174.300 0.050 . 1 . . . . . 3 ILE C . 53083 1 5 . 1 . 1 2 2 ILE CA C 13 54.536 0.050 . 1 . . . . . 3 ILE CA . 53083 1 6 . 1 . 1 2 2 ILE CB C 13 32.999 0.050 . 1 . . . . . 3 ILE CB . 53083 1 7 . 1 . 1 2 2 ILE N N 15 122.065 0.050 . 1 . . . . . 3 ILE N . 53083 1 8 . 1 . 1 3 3 LYS H H 1 8.627 0.005 . 1 . . . . . 4 LYS HN . 53083 1 9 . 1 . 1 3 3 LYS C C 13 175.173 0.050 . 1 . . . . . 4 LYS C . 53083 1 10 . 1 . 1 3 3 LYS CA C 13 55.526 0.050 . 1 . . . . . 4 LYS CA . 53083 1 11 . 1 . 1 3 3 LYS CB C 13 27.846 0.050 . 1 . . . . . 4 LYS CB . 53083 1 12 . 1 . 1 3 3 LYS N N 15 130.386 0.050 . 1 . . . . . 4 LYS N . 53083 1 13 . 1 . 1 4 4 GLY H H 1 9.149 0.005 . 1 . . . . . 5 GLY HN . 53083 1 14 . 1 . 1 4 4 GLY C C 13 173.752 0.050 . 1 . . . . . 5 GLY C . 53083 1 15 . 1 . 1 4 4 GLY CA C 13 43.011 0.050 . 1 . . . . . 5 GLY CA . 53083 1 16 . 1 . 1 4 4 GLY N N 15 113.255 0.050 . 1 . . . . . 5 GLY N . 53083 1 17 . 1 . 1 5 5 LEU H H 1 7.403 0.005 . 1 . . . . . 6 LEU HN . 53083 1 18 . 1 . 1 5 5 LEU C C 13 175.457 0.050 . 1 . . . . . 6 LEU C . 53083 1 19 . 1 . 1 5 5 LEU CA C 13 55.844 0.050 . 1 . . . . . 6 LEU CA . 53083 1 20 . 1 . 1 5 5 LEU CB C 13 37.994 0.050 . 1 . . . . . 6 LEU CB . 53083 1 21 . 1 . 1 5 5 LEU N N 15 122.906 0.050 . 1 . . . . . 6 LEU N . 53083 1 22 . 1 . 1 6 6 THR C C 13 174.424 0.050 . 1 . . . . . 7 THR C . 53083 1 23 . 1 . 1 6 6 THR CA C 13 64.387 0.050 . 1 . . . . . 7 THR CA . 53083 1 24 . 1 . 1 6 6 THR CB C 13 69.999 0.050 . 1 . . . . . 7 THR CB . 53083 1 25 . 1 . 1 7 7 LYS H H 1 8.157 0.005 . 1 . . . . . 8 LYS HN . 53083 1 26 . 1 . 1 7 7 LYS C C 13 175.115 0.050 . 1 . . . . . 8 LYS C . 53083 1 27 . 1 . 1 7 7 LYS CA C 13 55.866 0.050 . 1 . . . . . 8 LYS CA . 53083 1 28 . 1 . 1 7 7 LYS CB C 13 28.826 0.050 . 1 . . . . . 8 LYS CB . 53083 1 29 . 1 . 1 7 7 LYS N N 15 122.857 0.050 . 1 . . . . . 8 LYS N . 53083 1 30 . 1 . 1 8 8 PHE H H 1 8.099 0.005 . 1 . . . . . 9 PHE HN . 53083 1 31 . 1 . 1 8 8 PHE C C 13 175.201 0.050 . 1 . . . . . 9 PHE C . 53083 1 32 . 1 . 1 8 8 PHE CA C 13 59.215 0.050 . 1 . . . . . 9 PHE CA . 53083 1 33 . 1 . 1 8 8 PHE CB C 13 35.992 0.050 . 1 . . . . . 9 PHE CB . 53083 1 34 . 1 . 1 8 8 PHE N N 15 119.849 0.050 . 1 . . . . . 9 PHE N . 53083 1 35 . 1 . 1 9 9 ILE H H 1 8.796 0.005 . 1 . . . . . 10 ILE HN . 53083 1 36 . 1 . 1 9 9 ILE C C 13 173.957 0.050 . 1 . . . . . 10 ILE C . 53083 1 37 . 1 . 1 9 9 ILE CA C 13 62.770 0.050 . 1 . . . . . 10 ILE CA . 53083 1 38 . 1 . 1 9 9 ILE CB C 13 34.408 0.050 . 1 . . . . . 10 ILE CB . 53083 1 39 . 1 . 1 9 9 ILE N N 15 118.370 0.050 . 1 . . . . . 10 ILE N . 53083 1 40 . 1 . 1 10 10 ALA H H 1 7.545 0.005 . 1 . . . . . 11 ALA HN . 53083 1 41 . 1 . 1 10 10 ALA C C 13 176.067 0.050 . 1 . . . . . 11 ALA C . 53083 1 42 . 1 . 1 10 10 ALA CA C 13 51.988 0.050 . 1 . . . . . 11 ALA CA . 53083 1 43 . 1 . 1 10 10 ALA CB C 13 14.495 0.050 . 1 . . . . . 11 ALA CB . 53083 1 44 . 1 . 1 10 10 ALA N N 15 119.462 0.050 . 1 . . . . . 11 ALA N . 53083 1 45 . 1 . 1 11 11 ASP H H 1 7.435 0.005 . 1 . . . . . 12 ASP HN . 53083 1 46 . 1 . 1 11 11 ASP C C 13 174.690 0.050 . 1 . . . . . 12 ASP C . 53083 1 47 . 1 . 1 11 11 ASP CA C 13 52.957 0.050 . 1 . . . . . 12 ASP CA . 53083 1 48 . 1 . 1 11 11 ASP CB C 13 38.410 0.050 . 1 . . . . . 12 ASP CB . 53083 1 49 . 1 . 1 11 11 ASP N N 15 115.116 0.050 . 1 . . . . . 12 ASP N . 53083 1 50 . 1 . 1 12 12 ALA C C 13 174.460 0.050 . 1 . . . . . 13 ALA C . 53083 1 51 . 1 . 1 12 12 ALA CA C 13 49.939 0.050 . 1 . . . . . 13 ALA CA . 53083 1 52 . 1 . 1 12 12 ALA CB C 13 16.781 0.050 . 1 . . . . . 13 ALA CB . 53083 1 53 . 1 . 1 13 13 ALA H H 1 8.679 0.005 . 1 . . . . . 14 ALA HN . 53083 1 54 . 1 . 1 13 13 ALA C C 13 170.916 0.050 . 1 . . . . . 14 ALA C . 53083 1 55 . 1 . 1 13 13 ALA CA C 13 46.939 0.050 . 1 . . . . . 14 ALA CA . 53083 1 56 . 1 . 1 13 13 ALA CB C 13 14.750 0.050 . 1 . . . . . 14 ALA CB . 53083 1 57 . 1 . 1 13 13 ALA N N 15 121.875 0.050 . 1 . . . . . 14 ALA N . 53083 1 58 . 1 . 1 14 14 PRO C C 13 176.226 0.050 . 1 . . . . . 15 PRO C . 53083 1 59 . 1 . 1 14 14 PRO CA C 13 61.965 0.050 . 1 . . . . . 15 PRO CA . 53083 1 60 . 1 . 1 14 14 PRO CB C 13 27.944 0.050 . 1 . . . . . 15 PRO CB . 53083 1 61 . 1 . 1 15 15 ASN H H 1 8.359 0.005 . 1 . . . . . 16 ASN HN . 53083 1 62 . 1 . 1 15 15 ASN C C 13 172.945 0.050 . 1 . . . . . 16 ASN C . 53083 1 63 . 1 . 1 15 15 ASN CA C 13 51.566 0.050 . 1 . . . . . 16 ASN CA . 53083 1 64 . 1 . 1 15 15 ASN CB C 13 34.658 0.050 . 1 . . . . . 16 ASN CB . 53083 1 65 . 1 . 1 15 15 ASN N N 15 113.922 0.050 . 1 . . . . . 16 ASN N . 53083 1 66 . 1 . 1 16 16 ALA H H 1 8.294 0.005 . 1 . . . . . 17 ALA HN . 53083 1 67 . 1 . 1 16 16 ALA C C 13 172.058 0.050 . 1 . . . . . 17 ALA C . 53083 1 68 . 1 . 1 16 16 ALA CA C 13 49.391 0.050 . 1 . . . . . 17 ALA CA . 53083 1 69 . 1 . 1 16 16 ALA CB C 13 17.111 0.050 . 1 . . . . . 17 ALA CB . 53083 1 70 . 1 . 1 16 16 ALA N N 15 121.317 0.050 . 1 . . . . . 17 ALA N . 53083 1 71 . 1 . 1 17 17 ILE H H 1 7.275 0.005 . 1 . . . . . 18 ILE HN . 53083 1 72 . 1 . 1 17 17 ILE C C 13 171.752 0.050 . 1 . . . . . 18 ILE C . 53083 1 73 . 1 . 1 17 17 ILE CA C 13 56.398 0.050 . 1 . . . . . 18 ILE CA . 53083 1 74 . 1 . 1 17 17 ILE CB C 13 36.505 0.050 . 1 . . . . . 18 ILE CB . 53083 1 75 . 1 . 1 17 17 ILE N N 15 117.109 0.050 . 1 . . . . . 18 ILE N . 53083 1 76 . 1 . 1 18 18 LYS H H 1 8.761 0.005 . 1 . . . . . 19 LYS HN . 53083 1 77 . 1 . 1 18 18 LYS C C 13 172.817 0.050 . 1 . . . . . 19 LYS C . 53083 1 78 . 1 . 1 18 18 LYS CA C 13 51.387 0.050 . 1 . . . . . 19 LYS CA . 53083 1 79 . 1 . 1 18 18 LYS CB C 13 32.678 0.050 . 1 . . . . . 19 LYS CB . 53083 1 80 . 1 . 1 18 18 LYS N N 15 125.424 0.050 . 1 . . . . . 19 LYS N . 53083 1 81 . 1 . 1 19 19 GLU H H 1 8.666 0.005 . 1 . . . . . 20 GLU HN . 53083 1 82 . 1 . 1 19 19 GLU C C 13 174.188 0.050 . 1 . . . . . 20 GLU C . 53083 1 83 . 1 . 1 19 19 GLU CA C 13 52.966 0.050 . 1 . . . . . 20 GLU CA . 53083 1 84 . 1 . 1 19 19 GLU CB C 13 25.962 0.050 . 1 . . . . . 20 GLU CB . 53083 1 85 . 1 . 1 19 19 GLU N N 15 124.326 0.050 . 1 . . . . . 20 GLU N . 53083 1 86 . 1 . 1 20 20 ILE H H 1 8.311 0.005 . 1 . . . . . 21 ILE HN . 53083 1 87 . 1 . 1 20 20 ILE C C 13 171.972 0.050 . 1 . . . . . 21 ILE C . 53083 1 88 . 1 . 1 20 20 ILE CA C 13 56.422 0.050 . 1 . . . . . 21 ILE CA . 53083 1 89 . 1 . 1 20 20 ILE CB C 13 39.103 0.050 . 1 . . . . . 21 ILE CB . 53083 1 90 . 1 . 1 20 20 ILE N N 15 119.041 0.050 . 1 . . . . . 21 ILE N . 53083 1 91 . 1 . 1 21 21 LYS H H 1 8.457 0.005 . 1 . . . . . 22 LYS HN . 53083 1 92 . 1 . 1 21 21 LYS C C 13 177.213 0.050 . 1 . . . . . 22 LYS C . 53083 1 93 . 1 . 1 21 21 LYS CA C 13 51.325 0.050 . 1 . . . . . 22 LYS CA . 53083 1 94 . 1 . 1 21 21 LYS CB C 13 30.037 0.050 . 1 . . . . . 22 LYS CB . 53083 1 95 . 1 . 1 21 21 LYS N N 15 119.051 0.050 . 1 . . . . . 22 LYS N . 53083 1 96 . 1 . 1 22 22 ILE H H 1 9.284 0.005 . 1 . . . . . 23 ILE HN . 53083 1 97 . 1 . 1 22 22 ILE C C 13 173.892 0.050 . 1 . . . . . 23 ILE C . 53083 1 98 . 1 . 1 22 22 ILE CA C 13 61.642 0.050 . 1 . . . . . 23 ILE CA . 53083 1 99 . 1 . 1 22 22 ILE CB C 13 34.493 0.050 . 1 . . . . . 23 ILE CB . 53083 1 100 . 1 . 1 22 22 ILE N N 15 127.009 0.050 . 1 . . . . . 23 ILE N . 53083 1 101 . 1 . 1 23 23 GLU H H 1 9.601 0.005 . 1 . . . . . 24 GLU HN . 53083 1 102 . 1 . 1 23 23 GLU C C 13 176.413 0.050 . 1 . . . . . 24 GLU C . 53083 1 103 . 1 . 1 23 23 GLU CA C 13 56.533 0.050 . 1 . . . . . 24 GLU CA . 53083 1 104 . 1 . 1 23 23 GLU CB C 13 24.736 0.050 . 1 . . . . . 24 GLU CB . 53083 1 105 . 1 . 1 23 23 GLU N N 15 121.405 0.050 . 1 . . . . . 24 GLU N . 53083 1 106 . 1 . 1 24 24 SER H H 1 8.012 0.005 . 1 . . . . . 25 SER HN . 53083 1 107 . 1 . 1 24 24 SER C C 13 172.777 0.050 . 1 . . . . . 25 SER C . 53083 1 108 . 1 . 1 24 24 SER CA C 13 57.822 0.050 . 1 . . . . . 25 SER CA . 53083 1 109 . 1 . 1 24 24 SER CB C 13 60.242 0.050 . 1 . . . . . 25 SER CB . 53083 1 110 . 1 . 1 24 24 SER N N 15 116.124 0.050 . 1 . . . . . 25 SER N . 53083 1 111 . 1 . 1 25 25 LEU H H 1 7.928 0.005 . 1 . . . . . 26 LEU HN . 53083 1 112 . 1 . 1 25 25 LEU C C 13 172.216 0.050 . 1 . . . . . 26 LEU C . 53083 1 113 . 1 . 1 25 25 LEU CA C 13 50.677 0.050 . 1 . . . . . 26 LEU CA . 53083 1 114 . 1 . 1 25 25 LEU CB C 13 37.904 0.050 . 1 . . . . . 26 LEU CB . 53083 1 115 . 1 . 1 25 25 LEU N N 15 121.752 0.050 . 1 . . . . . 26 LEU N . 53083 1 116 . 1 . 1 26 26 MET H H 1 7.047 0.005 . 1 . . . . . 27 MET HN . 53083 1 117 . 1 . 1 26 26 MET C C 13 174.733 0.050 . 1 . . . . . 27 MET C . 53083 1 118 . 1 . 1 26 26 MET CA C 13 55.388 0.050 . 1 . . . . . 27 MET CA . 53083 1 119 . 1 . 1 26 26 MET CB C 13 28.761 0.050 . 1 . . . . . 27 MET CB . 53083 1 120 . 1 . 1 26 26 MET N N 15 120.062 0.050 . 1 . . . . . 27 MET N . 53083 1 121 . 1 . 1 27 27 GLY H H 1 8.700 0.005 . 1 . . . . . 28 GLY HN . 53083 1 122 . 1 . 1 27 27 GLY C C 13 171.231 0.050 . 1 . . . . . 28 GLY C . 53083 1 123 . 1 . 1 27 27 GLY CA C 13 42.324 0.050 . 1 . . . . . 28 GLY CA . 53083 1 124 . 1 . 1 27 27 GLY N N 15 115.619 0.050 . 1 . . . . . 28 GLY N . 53083 1 125 . 1 . 1 28 28 ARG H H 1 8.127 0.005 . 1 . . . . . 29 ARG HN . 53083 1 126 . 1 . 1 28 28 ARG C C 13 172.282 0.050 . 1 . . . . . 29 ARG C . 53083 1 127 . 1 . 1 28 28 ARG CA C 13 51.096 0.050 . 1 . . . . . 29 ARG CA . 53083 1 128 . 1 . 1 28 28 ARG CB C 13 27.494 0.050 . 1 . . . . . 29 ARG CB . 53083 1 129 . 1 . 1 28 28 ARG N N 15 118.587 0.050 . 1 . . . . . 29 ARG N . 53083 1 130 . 1 . 1 29 29 ILE H H 1 9.305 0.005 . 1 . . . . . 30 ILE HN . 53083 1 131 . 1 . 1 29 29 ILE C C 13 174.085 0.050 . 1 . . . . . 30 ILE C . 53083 1 132 . 1 . 1 29 29 ILE CA C 13 57.597 0.050 . 1 . . . . . 30 ILE CA . 53083 1 133 . 1 . 1 29 29 ILE CB C 13 35.792 0.050 . 1 . . . . . 30 ILE CB . 53083 1 134 . 1 . 1 29 29 ILE N N 15 123.717 0.050 . 1 . . . . . 30 ILE N . 53083 1 135 . 1 . 1 30 30 ILE H H 1 8.310 0.005 . 1 . . . . . 31 ILE HN . 53083 1 136 . 1 . 1 30 30 ILE C C 13 170.677 0.050 . 1 . . . . . 31 ILE C . 53083 1 137 . 1 . 1 30 30 ILE CA C 13 54.297 0.050 . 1 . . . . . 31 ILE CA . 53083 1 138 . 1 . 1 30 30 ILE CB C 13 35.846 0.050 . 1 . . . . . 31 ILE CB . 53083 1 139 . 1 . 1 30 30 ILE N N 15 128.602 0.050 . 1 . . . . . 31 ILE N . 53083 1 140 . 1 . 1 31 31 ALA H H 1 8.746 0.005 . 1 . . . . . 32 ALA HN . 53083 1 141 . 1 . 1 31 31 ALA C C 13 172.065 0.050 . 1 . . . . . 32 ALA C . 53083 1 142 . 1 . 1 31 31 ALA CA C 13 47.782 0.050 . 1 . . . . . 32 ALA CA . 53083 1 143 . 1 . 1 31 31 ALA CB C 13 15.660 0.050 . 1 . . . . . 32 ALA CB . 53083 1 144 . 1 . 1 31 31 ALA N N 15 129.394 0.050 . 1 . . . . . 32 ALA N . 53083 1 145 . 1 . 1 32 32 ILE H H 1 9.237 0.005 . 1 . . . . . 33 ILE HN . 53083 1 146 . 1 . 1 32 32 ILE C C 13 172.435 0.050 . 1 . . . . . 33 ILE C . 53083 1 147 . 1 . 1 32 32 ILE CA C 13 57.824 0.050 . 1 . . . . . 33 ILE CA . 53083 1 148 . 1 . 1 32 32 ILE CB C 13 36.703 0.050 . 1 . . . . . 33 ILE CB . 53083 1 149 . 1 . 1 32 32 ILE N N 15 126.442 0.050 . 1 . . . . . 33 ILE N . 53083 1 150 . 1 . 1 33 33 ASP H H 1 7.708 0.005 . 1 . . . . . 34 ASP HN . 53083 1 151 . 1 . 1 33 33 ASP C C 13 173.411 0.050 . 1 . . . . . 34 ASP C . 53083 1 152 . 1 . 1 33 33 ASP CA C 13 50.415 0.050 . 1 . . . . . 34 ASP CA . 53083 1 153 . 1 . 1 33 33 ASP CB C 13 37.326 0.050 . 1 . . . . . 34 ASP CB . 53083 1 154 . 1 . 1 33 33 ASP N N 15 124.311 0.050 . 1 . . . . . 34 ASP N . 53083 1 155 . 1 . 1 34 34 ALA H H 1 9.589 0.005 . 1 . . . . . 35 ALA HN . 53083 1 156 . 1 . 1 34 34 ALA C C 13 176.112 0.050 . 1 . . . . . 35 ALA C . 53083 1 157 . 1 . 1 34 34 ALA CA C 13 51.047 0.050 . 1 . . . . . 35 ALA CA . 53083 1 158 . 1 . 1 34 34 ALA CB C 13 15.287 0.050 . 1 . . . . . 35 ALA CB . 53083 1 159 . 1 . 1 34 34 ALA N N 15 134.641 0.050 . 1 . . . . . 35 ALA N . 53083 1 160 . 1 . 1 35 35 SER H H 1 8.313 0.005 . 1 . . . . . 36 SER HN . 53083 1 161 . 1 . 1 35 35 SER C C 13 175.743 0.050 . 1 . . . . . 36 SER C . 53083 1 162 . 1 . 1 35 35 SER CA C 13 57.662 0.050 . 1 . . . . . 36 SER CA . 53083 1 163 . 1 . 1 35 35 SER N N 15 117.034 0.050 . 1 . . . . . 36 SER N . 53083 1 164 . 1 . 1 38 38 LEU C C 13 175.692 0.050 . 1 . . . . . 39 LEU C . 53083 1 165 . 1 . 1 38 38 LEU CA C 13 55.667 0.050 . 1 . . . . . 39 LEU CA . 53083 1 166 . 1 . 1 38 38 LEU CB C 13 38.265 0.050 . 1 . . . . . 39 LEU CB . 53083 1 167 . 1 . 1 39 39 TYR H H 1 7.747 0.005 . 1 . . . . . 40 TYR HN . 53083 1 168 . 1 . 1 39 39 TYR C C 13 174.350 0.050 . 1 . . . . . 40 TYR C . 53083 1 169 . 1 . 1 39 39 TYR CA C 13 58.669 0.050 . 1 . . . . . 40 TYR CA . 53083 1 170 . 1 . 1 39 39 TYR CB C 13 34.873 0.050 . 1 . . . . . 40 TYR CB . 53083 1 171 . 1 . 1 39 39 TYR N N 15 118.766 0.050 . 1 . . . . . 40 TYR N . 53083 1 172 . 1 . 1 40 40 GLN H H 1 8.052 0.005 . 1 . . . . . 41 GLN HN . 53083 1 173 . 1 . 1 40 40 GLN C C 13 176.387 0.050 . 1 . . . . . 41 GLN C . 53083 1 174 . 1 . 1 40 40 GLN CA C 13 55.598 0.050 . 1 . . . . . 41 GLN CA . 53083 1 175 . 1 . 1 40 40 GLN CB C 13 24.414 0.050 . 1 . . . . . 41 GLN CB . 53083 1 176 . 1 . 1 40 40 GLN N N 15 116.629 0.050 . 1 . . . . . 41 GLN N . 53083 1 177 . 1 . 1 41 41 PHE H H 1 7.983 0.005 . 1 . . . . . 42 PHE HN . 53083 1 178 . 1 . 1 41 41 PHE C C 13 175.368 0.050 . 1 . . . . . 42 PHE C . 53083 1 179 . 1 . 1 41 41 PHE CA C 13 55.709 0.050 . 1 . . . . . 42 PHE CA . 53083 1 180 . 1 . 1 41 41 PHE CB C 13 35.361 0.050 . 1 . . . . . 42 PHE CB . 53083 1 181 . 1 . 1 41 41 PHE N N 15 117.224 0.050 . 1 . . . . . 42 PHE N . 53083 1 182 . 1 . 1 42 42 ILE H H 1 8.081 0.005 . 1 . . . . . 43 ILE HN . 53083 1 183 . 1 . 1 42 42 ILE C C 13 175.373 0.050 . 1 . . . . . 43 ILE C . 53083 1 184 . 1 . 1 42 42 ILE CA C 13 60.855 0.050 . 1 . . . . . 43 ILE CA . 53083 1 185 . 1 . 1 42 42 ILE CB C 13 34.775 0.050 . 1 . . . . . 43 ILE CB . 53083 1 186 . 1 . 1 42 42 ILE N N 15 118.784 0.050 . 1 . . . . . 43 ILE N . 53083 1 187 . 1 . 1 43 43 ILE H H 1 7.901 0.005 . 1 . . . . . 44 ILE HN . 53083 1 188 . 1 . 1 43 43 ILE C C 13 174.627 0.050 . 1 . . . . . 44 ILE C . 53083 1 189 . 1 . 1 43 43 ILE CA C 13 59.354 0.050 . 1 . . . . . 44 ILE CA . 53083 1 190 . 1 . 1 43 43 ILE CB C 13 34.296 0.050 . 1 . . . . . 44 ILE CB . 53083 1 191 . 1 . 1 43 43 ILE N N 15 118.092 0.050 . 1 . . . . . 44 ILE N . 53083 1 192 . 1 . 1 44 44 ALA H H 1 7.511 0.005 . 1 . . . . . 45 ALA HN . 53083 1 193 . 1 . 1 44 44 ALA C C 13 176.081 0.050 . 1 . . . . . 45 ALA C . 53083 1 194 . 1 . 1 44 44 ALA CA C 13 50.566 0.050 . 1 . . . . . 45 ALA CA . 53083 1 195 . 1 . 1 44 44 ALA CB C 13 15.675 0.050 . 1 . . . . . 45 ALA CB . 53083 1 196 . 1 . 1 44 44 ALA N N 15 123.633 0.050 . 1 . . . . . 45 ALA N . 53083 1 197 . 1 . 1 45 45 ILE H H 1 7.788 0.005 . 1 . . . . . 46 ILE HN . 53083 1 198 . 1 . 1 45 45 ILE C C 13 174.400 0.050 . 1 . . . . . 46 ILE C . 53083 1 199 . 1 . 1 45 45 ILE CA C 13 59.085 0.050 . 1 . . . . . 46 ILE CA . 53083 1 200 . 1 . 1 45 45 ILE CB C 13 34.732 0.050 . 1 . . . . . 46 ILE CB . 53083 1 201 . 1 . 1 45 45 ILE N N 15 118.453 0.050 . 1 . . . . . 46 ILE N . 53083 1 202 . 1 . 1 46 46 ARG H H 1 8.173 0.005 . 1 . . . . . 47 ARG HN . 53083 1 203 . 1 . 1 46 46 ARG C C 13 174.133 0.050 . 1 . . . . . 47 ARG C . 53083 1 204 . 1 . 1 46 46 ARG CA C 13 53.818 0.050 . 1 . . . . . 47 ARG CA . 53083 1 205 . 1 . 1 46 46 ARG CB C 13 27.070 0.050 . 1 . . . . . 47 ARG CB . 53083 1 206 . 1 . 1 46 46 ARG N N 15 123.559 0.050 . 1 . . . . . 47 ARG N . 53083 1 207 . 1 . 1 47 47 ASP H H 1 8.325 0.005 . 1 . . . . . 48 ASP HN . 53083 1 208 . 1 . 1 47 47 ASP C C 13 174.138 0.050 . 1 . . . . . 48 ASP C . 53083 1 209 . 1 . 1 47 47 ASP CA C 13 51.913 0.050 . 1 . . . . . 48 ASP CA . 53083 1 210 . 1 . 1 47 47 ASP CB C 13 37.969 0.050 . 1 . . . . . 48 ASP CB . 53083 1 211 . 1 . 1 47 47 ASP N N 15 120.933 0.050 . 1 . . . . . 48 ASP N . 53083 1 212 . 1 . 1 48 48 SER H H 1 8.182 0.005 . 1 . . . . . 49 SER HN . 53083 1 213 . 1 . 1 48 48 SER C C 13 172.678 0.050 . 1 . . . . . 49 SER C . 53083 1 214 . 1 . 1 48 48 SER CA C 13 56.288 0.050 . 1 . . . . . 49 SER CA . 53083 1 215 . 1 . 1 48 48 SER CB C 13 60.705 0.050 . 1 . . . . . 49 SER CB . 53083 1 216 . 1 . 1 48 48 SER N N 15 116.085 0.050 . 1 . . . . . 49 SER N . 53083 1 217 . 1 . 1 49 49 GLU H H 1 8.444 0.005 . 1 . . . . . 50 GLU HN . 53083 1 218 . 1 . 1 49 49 GLU C C 13 174.250 0.050 . 1 . . . . . 50 GLU C . 53083 1 219 . 1 . 1 49 49 GLU CA C 13 54.203 0.050 . 1 . . . . . 50 GLU CA . 53083 1 220 . 1 . 1 49 49 GLU CB C 13 26.293 0.050 . 1 . . . . . 50 GLU CB . 53083 1 221 . 1 . 1 49 49 GLU N N 15 122.845 0.050 . 1 . . . . . 50 GLU N . 53083 1 222 . 1 . 1 50 50 GLN H H 1 8.161 0.005 . 1 . . . . . 51 GLN HN . 53083 1 223 . 1 . 1 50 50 GLN C C 13 173.553 0.050 . 1 . . . . . 51 GLN C . 53083 1 224 . 1 . 1 50 50 GLN CA C 13 53.283 0.050 . 1 . . . . . 51 GLN CA . 53083 1 225 . 1 . 1 50 50 GLN CB C 13 25.864 0.050 . 1 . . . . . 51 GLN CB . 53083 1 226 . 1 . 1 50 50 GLN N N 15 119.712 0.050 . 1 . . . . . 51 GLN N . 53083 1 227 . 1 . 1 51 51 TYR H H 1 8.132 0.005 . 1 . . . . . 52 TYR HN . 53083 1 228 . 1 . 1 51 51 TYR C C 13 173.733 0.050 . 1 . . . . . 52 TYR C . 53083 1 229 . 1 . 1 51 51 TYR CA C 13 55.278 0.050 . 1 . . . . . 52 TYR CA . 53083 1 230 . 1 . 1 51 51 TYR CB C 13 35.182 0.050 . 1 . . . . . 52 TYR CB . 53083 1 231 . 1 . 1 51 51 TYR N N 15 119.939 0.050 . 1 . . . . . 52 TYR N . 53083 1 232 . 1 . 1 52 52 GLY H H 1 8.183 0.005 . 1 . . . . . 53 GLY HN . 53083 1 233 . 1 . 1 52 52 GLY C C 13 171.214 0.050 . 1 . . . . . 53 GLY C . 53083 1 234 . 1 . 1 52 52 GLY CA C 13 42.516 0.050 . 1 . . . . . 53 GLY CA . 53083 1 235 . 1 . 1 52 52 GLY N N 15 109.574 0.050 . 1 . . . . . 53 GLY N . 53083 1 236 . 1 . 1 53 53 ASN H H 1 8.346 0.005 . 1 . . . . . 54 ASN HN . 53083 1 237 . 1 . 1 53 53 ASN C C 13 172.796 0.050 . 1 . . . . . 54 ASN C . 53083 1 238 . 1 . 1 53 53 ASN CA C 13 50.465 0.050 . 1 . . . . . 54 ASN CA . 53083 1 239 . 1 . 1 53 53 ASN CB C 13 35.564 0.050 . 1 . . . . . 54 ASN CB . 53083 1 240 . 1 . 1 53 53 ASN N N 15 118.905 0.050 . 1 . . . . . 54 ASN N . 53083 1 241 . 1 . 1 54 54 LEU H H 1 8.358 0.005 . 1 . . . . . 55 LEU HN . 53083 1 242 . 1 . 1 54 54 LEU C C 13 174.927 0.050 . 1 . . . . . 55 LEU C . 53083 1 243 . 1 . 1 54 54 LEU CA C 13 52.669 0.050 . 1 . . . . . 55 LEU CA . 53083 1 244 . 1 . 1 54 54 LEU CB C 13 38.607 0.050 . 1 . . . . . 55 LEU CB . 53083 1 245 . 1 . 1 54 54 LEU N N 15 122.476 0.050 . 1 . . . . . 55 LEU N . 53083 1 246 . 1 . 1 55 55 THR H H 1 8.093 0.005 . 1 . . . . . 56 THR HN . 53083 1 247 . 1 . 1 55 55 THR C C 13 171.923 0.050 . 1 . . . . . 56 THR C . 53083 1 248 . 1 . 1 55 55 THR CA C 13 58.391 0.050 . 1 . . . . . 56 THR CA . 53083 1 249 . 1 . 1 55 55 THR CB C 13 67.288 0.050 . 1 . . . . . 56 THR CB . 53083 1 250 . 1 . 1 55 55 THR N N 15 113.396 0.050 . 1 . . . . . 56 THR N . 53083 1 251 . 1 . 1 56 56 ASN H H 1 8.531 0.005 . 1 . . . . . 57 ASN HN . 53083 1 252 . 1 . 1 56 56 ASN C C 13 173.391 0.050 . 1 . . . . . 57 ASN C . 53083 1 253 . 1 . 1 56 56 ASN CA C 13 50.019 0.050 . 1 . . . . . 57 ASN CA . 53083 1 254 . 1 . 1 56 56 ASN CB C 13 35.722 0.050 . 1 . . . . . 57 ASN CB . 53083 1 255 . 1 . 1 56 56 ASN N N 15 120.724 0.050 . 1 . . . . . 57 ASN N . 53083 1 256 . 1 . 1 57 57 GLU H H 1 8.599 0.005 . 1 . . . . . 58 GLU HN . 53083 1 257 . 1 . 1 57 57 GLU C C 13 174.416 0.050 . 1 . . . . . 58 GLU C . 53083 1 258 . 1 . 1 57 57 GLU CA C 13 54.559 0.050 . 1 . . . . . 58 GLU CA . 53083 1 259 . 1 . 1 57 57 GLU CB C 13 26.515 0.050 . 1 . . . . . 58 GLU CB . 53083 1 260 . 1 . 1 57 57 GLU N N 15 121.147 0.050 . 1 . . . . . 58 GLU N . 53083 1 261 . 1 . 1 58 58 SER H H 1 8.275 0.005 . 1 . . . . . 59 SER HN . 53083 1 262 . 1 . 1 58 58 SER C C 13 172.638 0.050 . 1 . . . . . 59 SER C . 53083 1 263 . 1 . 1 58 58 SER CA C 13 55.812 0.050 . 1 . . . . . 59 SER CA . 53083 1 264 . 1 . 1 58 58 SER CB C 13 60.659 0.050 . 1 . . . . . 59 SER CB . 53083 1 265 . 1 . 1 58 58 SER N N 15 115.844 0.050 . 1 . . . . . 59 SER N . 53083 1 266 . 1 . 1 59 59 GLY H H 1 8.358 0.005 . 1 . . . . . 60 GLY HN . 53083 1 267 . 1 . 1 59 59 GLY C C 13 171.797 0.050 . 1 . . . . . 60 GLY C . 53083 1 268 . 1 . 1 59 59 GLY CA C 13 42.473 0.050 . 1 . . . . . 60 GLY CA . 53083 1 269 . 1 . 1 59 59 GLY N N 15 110.821 0.050 . 1 . . . . . 60 GLY N . 53083 1 270 . 1 . 1 60 60 GLU H H 1 8.331 0.005 . 1 . . . . . 61 GLU HN . 53083 1 271 . 1 . 1 60 60 GLU C C 13 174.541 0.050 . 1 . . . . . 61 GLU C . 53083 1 272 . 1 . 1 60 60 GLU CA C 13 53.475 0.050 . 1 . . . . . 61 GLU CA . 53083 1 273 . 1 . 1 60 60 GLU CB C 13 26.921 0.050 . 1 . . . . . 61 GLU CB . 53083 1 274 . 1 . 1 60 60 GLU N N 15 121.385 0.050 . 1 . . . . . 61 GLU N . 53083 1 275 . 1 . 1 61 61 THR H H 1 8.548 0.005 . 1 . . . . . 62 THR HN . 53083 1 276 . 1 . 1 61 61 THR CA C 13 59.753 0.050 . 1 . . . . . 62 THR CA . 53083 1 277 . 1 . 1 61 61 THR CB C 13 66.432 0.050 . 1 . . . . . 62 THR CB . 53083 1 278 . 1 . 1 61 61 THR N N 15 116.193 0.050 . 1 . . . . . 62 THR N . 53083 1 279 . 1 . 1 66 66 SER C C 13 175.077 0.050 . 1 . . . . . 67 SER C . 53083 1 280 . 1 . 1 66 66 SER CA C 13 58.550 0.050 . 1 . . . . . 67 SER CA . 53083 1 281 . 1 . 1 67 67 GLY H H 1 8.113 0.005 . 1 . . . . . 68 GLY HN . 53083 1 282 . 1 . 1 67 67 GLY C C 13 172.397 0.050 . 1 . . . . . 68 GLY C . 53083 1 283 . 1 . 1 67 67 GLY CA C 13 43.728 0.050 . 1 . . . . . 68 GLY CA . 53083 1 284 . 1 . 1 67 67 GLY N N 15 110.641 0.050 . 1 . . . . . 68 GLY N . 53083 1 285 . 1 . 1 68 68 LEU H H 1 7.212 0.005 . 1 . . . . . 69 LEU HN . 53083 1 286 . 1 . 1 68 68 LEU C C 13 177.872 0.050 . 1 . . . . . 69 LEU C . 53083 1 287 . 1 . 1 68 68 LEU CA C 13 54.654 0.050 . 1 . . . . . 69 LEU CA . 53083 1 288 . 1 . 1 68 68 LEU CB C 13 38.624 0.050 . 1 . . . . . 69 LEU CB . 53083 1 289 . 1 . 1 68 68 LEU N N 15 121.666 0.050 . 1 . . . . . 69 LEU N . 53083 1 290 . 1 . 1 69 69 MET H H 1 8.201 0.005 . 1 . . . . . 70 MET HN . 53083 1 291 . 1 . 1 69 69 MET C C 13 174.367 0.050 . 1 . . . . . 70 MET C . 53083 1 292 . 1 . 1 69 69 MET CA C 13 56.957 0.050 . 1 . . . . . 70 MET CA . 53083 1 293 . 1 . 1 69 69 MET CB C 13 29.654 0.050 . 1 . . . . . 70 MET CB . 53083 1 294 . 1 . 1 69 69 MET N N 15 120.892 0.050 . 1 . . . . . 70 MET N . 53083 1 295 . 1 . 1 70 70 SER H H 1 8.101 0.005 . 1 . . . . . 71 SER HN . 53083 1 296 . 1 . 1 70 70 SER C C 13 175.150 0.050 . 1 . . . . . 71 SER C . 53083 1 297 . 1 . 1 70 70 SER CA C 13 58.636 0.050 . 1 . . . . . 71 SER CA . 53083 1 298 . 1 . 1 70 70 SER CB C 13 59.810 0.050 . 1 . . . . . 71 SER CB . 53083 1 299 . 1 . 1 70 70 SER N N 15 112.737 0.050 . 1 . . . . . 71 SER N . 53083 1 300 . 1 . 1 71 71 ARG H H 1 8.508 0.005 . 1 . . . . . 72 ARG HN . 53083 1 301 . 1 . 1 71 71 ARG C C 13 176.663 0.050 . 1 . . . . . 72 ARG C . 53083 1 302 . 1 . 1 71 71 ARG CA C 13 55.853 0.050 . 1 . . . . . 72 ARG CA . 53083 1 303 . 1 . 1 71 71 ARG CB C 13 26.264 0.050 . 1 . . . . . 72 ARG CB . 53083 1 304 . 1 . 1 71 71 ARG N N 15 119.505 0.050 . 1 . . . . . 72 ARG N . 53083 1 305 . 1 . 1 72 72 SER H H 1 8.124 0.005 . 1 . . . . . 73 SER HN . 53083 1 306 . 1 . 1 72 72 SER C C 13 173.868 0.050 . 1 . . . . . 73 SER C . 53083 1 307 . 1 . 1 72 72 SER CA C 13 60.522 0.050 . 1 . . . . . 73 SER CA . 53083 1 308 . 1 . 1 72 72 SER CB C 13 59.783 0.050 . 1 . . . . . 73 SER CB . 53083 1 309 . 1 . 1 72 72 SER N N 15 114.347 0.050 . 1 . . . . . 73 SER N . 53083 1 310 . 1 . 1 73 73 ILE H H 1 7.839 0.005 . 1 . . . . . 74 ILE HN . 53083 1 311 . 1 . 1 73 73 ILE C C 13 174.534 0.050 . 1 . . . . . 74 ILE C . 53083 1 312 . 1 . 1 73 73 ILE CA C 13 62.600 0.050 . 1 . . . . . 74 ILE CA . 53083 1 313 . 1 . 1 73 73 ILE CB C 13 34.202 0.050 . 1 . . . . . 74 ILE CB . 53083 1 314 . 1 . 1 73 73 ILE N N 15 121.964 0.050 . 1 . . . . . 74 ILE N . 53083 1 315 . 1 . 1 74 74 ARG H H 1 7.647 0.005 . 1 . . . . . 75 ARG HN . 53083 1 316 . 1 . 1 74 74 ARG C C 13 177.216 0.050 . 1 . . . . . 75 ARG C . 53083 1 317 . 1 . 1 74 74 ARG CA C 13 55.912 0.050 . 1 . . . . . 75 ARG CA . 53083 1 318 . 1 . 1 74 74 ARG CB C 13 26.071 0.050 . 1 . . . . . 75 ARG CB . 53083 1 319 . 1 . 1 74 74 ARG N N 15 120.479 0.050 . 1 . . . . . 75 ARG N . 53083 1 320 . 1 . 1 75 75 LEU H H 1 8.180 0.005 . 1 . . . . . 76 LEU HN . 53083 1 321 . 1 . 1 75 75 LEU C C 13 176.969 0.050 . 1 . . . . . 76 LEU C . 53083 1 322 . 1 . 1 75 75 LEU CA C 13 55.798 0.050 . 1 . . . . . 76 LEU CA . 53083 1 323 . 1 . 1 75 75 LEU CB C 13 37.057 0.050 . 1 . . . . . 76 LEU CB . 53083 1 324 . 1 . 1 75 75 LEU N N 15 118.178 0.050 . 1 . . . . . 76 LEU N . 53083 1 325 . 1 . 1 76 76 MET H H 1 8.058 0.005 . 1 . . . . . 77 MET HN . 53083 1 326 . 1 . 1 76 76 MET C C 13 178.529 0.050 . 1 . . . . . 77 MET C . 53083 1 327 . 1 . 1 76 76 MET CA C 13 56.391 0.050 . 1 . . . . . 77 MET CA . 53083 1 328 . 1 . 1 76 76 MET CB C 13 30.172 0.050 . 1 . . . . . 77 MET CB . 53083 1 329 . 1 . 1 76 76 MET N N 15 119.111 0.050 . 1 . . . . . 77 MET N . 53083 1 330 . 1 . 1 77 77 GLU H H 1 9.264 0.005 . 1 . . . . . 78 GLU HN . 53083 1 331 . 1 . 1 77 77 GLU C C 13 175.133 0.050 . 1 . . . . . 78 GLU C . 53083 1 332 . 1 . 1 77 77 GLU CA C 13 56.218 0.050 . 1 . . . . . 78 GLU CA . 53083 1 333 . 1 . 1 77 77 GLU CB C 13 25.950 0.050 . 1 . . . . . 78 GLU CB . 53083 1 334 . 1 . 1 77 77 GLU N N 15 122.073 0.050 . 1 . . . . . 78 GLU N . 53083 1 335 . 1 . 1 78 78 ASN H H 1 7.456 0.005 . 1 . . . . . 79 ASN HN . 53083 1 336 . 1 . 1 78 78 ASN C C 13 171.173 0.050 . 1 . . . . . 79 ASN C . 53083 1 337 . 1 . 1 78 78 ASN CA C 13 51.203 0.050 . 1 . . . . . 79 ASN CA . 53083 1 338 . 1 . 1 78 78 ASN CB C 13 37.968 0.050 . 1 . . . . . 79 ASN CB . 53083 1 339 . 1 . 1 78 78 ASN N N 15 115.831 0.050 . 1 . . . . . 79 ASN N . 53083 1 340 . 1 . 1 79 79 GLY H H 1 8.063 0.005 . 1 . . . . . 80 GLY HN . 53083 1 341 . 1 . 1 79 79 GLY C C 13 172.574 0.050 . 1 . . . . . 80 GLY C . 53083 1 342 . 1 . 1 79 79 GLY CA C 13 43.211 0.050 . 1 . . . . . 80 GLY CA . 53083 1 343 . 1 . 1 79 79 GLY N N 15 105.791 0.050 . 1 . . . . . 80 GLY N . 53083 1 344 . 1 . 1 80 80 LEU H H 1 7.961 0.005 . 1 . . . . . 81 LEU HN . 53083 1 345 . 1 . 1 80 80 LEU C C 13 173.458 0.050 . 1 . . . . . 81 LEU C . 53083 1 346 . 1 . 1 80 80 LEU CA C 13 53.498 0.050 . 1 . . . . . 81 LEU CA . 53083 1 347 . 1 . 1 80 80 LEU CB C 13 39.475 0.050 . 1 . . . . . 81 LEU CB . 53083 1 348 . 1 . 1 80 80 LEU N N 15 125.261 0.050 . 1 . . . . . 81 LEU N . 53083 1 349 . 1 . 1 81 81 LYS H H 1 8.169 0.005 . 1 . . . . . 82 LYS HN . 53083 1 350 . 1 . 1 81 81 LYS C C 13 171.566 0.050 . 1 . . . . . 82 LYS C . 53083 1 351 . 1 . 1 81 81 LYS CA C 13 49.766 0.050 . 1 . . . . . 82 LYS CA . 53083 1 352 . 1 . 1 81 81 LYS CB C 13 28.724 0.050 . 1 . . . . . 82 LYS CB . 53083 1 353 . 1 . 1 81 81 LYS N N 15 119.672 0.050 . 1 . . . . . 82 LYS N . 53083 1 354 . 1 . 1 82 82 PRO C C 13 173.094 0.050 . 1 . . . . . 83 PRO C . 53083 1 355 . 1 . 1 82 82 PRO CA C 13 59.552 0.050 . 1 . . . . . 83 PRO CA . 53083 1 356 . 1 . 1 82 82 PRO CB C 13 30.295 0.050 . 1 . . . . . 83 PRO CB . 53083 1 357 . 1 . 1 83 83 ILE H H 1 8.388 0.005 . 1 . . . . . 84 ILE HN . 53083 1 358 . 1 . 1 83 83 ILE C C 13 172.786 0.050 . 1 . . . . . 84 ILE C . 53083 1 359 . 1 . 1 83 83 ILE CA C 13 57.490 0.050 . 1 . . . . . 84 ILE CA . 53083 1 360 . 1 . 1 83 83 ILE N N 15 117.951 0.050 . 1 . . . . . 84 ILE N . 53083 1 361 . 1 . 1 84 84 TYR H H 1 8.441 0.005 . 1 . . . . . 85 TYR HN . 53083 1 362 . 1 . 1 84 84 TYR C C 13 171.519 0.050 . 1 . . . . . 85 TYR C . 53083 1 363 . 1 . 1 84 84 TYR CA C 13 55.811 0.050 . 1 . . . . . 85 TYR CA . 53083 1 364 . 1 . 1 84 84 TYR CB C 13 37.400 0.050 . 1 . . . . . 85 TYR CB . 53083 1 365 . 1 . 1 84 84 TYR N N 15 125.902 0.050 . 1 . . . . . 85 TYR N . 53083 1 366 . 1 . 1 85 85 VAL H H 1 9.068 0.005 . 1 . . . . . 86 VAL HN . 53083 1 367 . 1 . 1 85 85 VAL C C 13 172.032 0.050 . 1 . . . . . 86 VAL C . 53083 1 368 . 1 . 1 85 85 VAL CA C 13 57.714 0.050 . 1 . . . . . 86 VAL CA . 53083 1 369 . 1 . 1 85 85 VAL CB C 13 29.140 0.050 . 1 . . . . . 86 VAL CB . 53083 1 370 . 1 . 1 85 85 VAL N N 15 124.622 0.050 . 1 . . . . . 86 VAL N . 53083 1 371 . 1 . 1 86 86 PHE H H 1 9.323 0.005 . 1 . . . . . 87 PHE HN . 53083 1 372 . 1 . 1 86 86 PHE C C 13 172.797 0.050 . 1 . . . . . 87 PHE C . 53083 1 373 . 1 . 1 86 86 PHE CA C 13 54.237 0.050 . 1 . . . . . 87 PHE CA . 53083 1 374 . 1 . 1 86 86 PHE CB C 13 38.696 0.050 . 1 . . . . . 87 PHE CB . 53083 1 375 . 1 . 1 86 86 PHE N N 15 127.372 0.050 . 1 . . . . . 87 PHE N . 53083 1 376 . 1 . 1 87 87 ASP H H 1 8.980 0.005 . 1 . . . . . 88 ASP HN . 53083 1 377 . 1 . 1 87 87 ASP C C 13 174.806 0.050 . 1 . . . . . 88 ASP C . 53083 1 378 . 1 . 1 87 87 ASP CA C 13 51.965 0.050 . 1 . . . . . 88 ASP CA . 53083 1 379 . 1 . 1 87 87 ASP CB C 13 38.922 0.050 . 1 . . . . . 88 ASP CB . 53083 1 380 . 1 . 1 87 87 ASP N N 15 120.629 0.050 . 1 . . . . . 88 ASP N . 53083 1 381 . 1 . 1 88 88 GLY H H 1 9.026 0.005 . 1 . . . . . 89 GLY HN . 53083 1 382 . 1 . 1 88 88 GLY C C 13 171.400 0.050 . 1 . . . . . 89 GLY C . 53083 1 383 . 1 . 1 88 88 GLY CA C 13 42.422 0.050 . 1 . . . . . 89 GLY CA . 53083 1 384 . 1 . 1 88 88 GLY N N 15 112.625 0.050 . 1 . . . . . 89 GLY N . 53083 1 385 . 1 . 1 89 89 ALA H H 1 8.239 0.005 . 1 . . . . . 90 ALA HN . 53083 1 386 . 1 . 1 89 89 ALA C C 13 172.384 0.050 . 1 . . . . . 90 ALA C . 53083 1 387 . 1 . 1 89 89 ALA CA C 13 47.182 0.050 . 1 . . . . . 90 ALA CA . 53083 1 388 . 1 . 1 89 89 ALA CB C 13 15.078 0.050 . 1 . . . . . 90 ALA CB . 53083 1 389 . 1 . 1 89 89 ALA N N 15 127.224 0.050 . 1 . . . . . 90 ALA N . 53083 1 390 . 1 . 1 91 91 PRO C C 13 174.470 0.050 . 1 . . . . . 92 PRO C . 53083 1 391 . 1 . 1 91 91 PRO CA C 13 60.126 0.050 . 1 . . . . . 92 PRO CA . 53083 1 392 . 1 . 1 91 91 PRO CB C 13 28.576 0.050 . 1 . . . . . 92 PRO CB . 53083 1 393 . 1 . 1 92 92 GLU H H 1 8.641 0.005 . 1 . . . . . 93 GLU HN . 53083 1 394 . 1 . 1 92 92 GLU C C 13 173.923 0.050 . 1 . . . . . 93 GLU C . 53083 1 395 . 1 . 1 92 92 GLU CA C 13 53.687 0.050 . 1 . . . . . 93 GLU CA . 53083 1 396 . 1 . 1 92 92 GLU CB C 13 26.740 0.050 . 1 . . . . . 93 GLU CB . 53083 1 397 . 1 . 1 92 92 GLU N N 15 121.533 0.050 . 1 . . . . . 93 GLU N . 53083 1 398 . 1 . 1 93 93 LEU H H 1 8.278 0.005 . 1 . . . . . 94 LEU HN . 53083 1 399 . 1 . 1 93 93 LEU C C 13 174.585 0.050 . 1 . . . . . 94 LEU C . 53083 1 400 . 1 . 1 93 93 LEU CA C 13 52.001 0.050 . 1 . . . . . 94 LEU CA . 53083 1 401 . 1 . 1 93 93 LEU CB C 13 38.698 0.050 . 1 . . . . . 94 LEU CB . 53083 1 402 . 1 . 1 93 93 LEU N N 15 123.958 0.050 . 1 . . . . . 94 LEU N . 53083 1 403 . 1 . 1 94 94 LYS H H 1 8.370 0.005 . 1 . . . . . 95 LYS HN . 53083 1 404 . 1 . 1 94 94 LYS C C 13 174.666 0.050 . 1 . . . . . 95 LYS C . 53083 1 405 . 1 . 1 94 94 LYS CA C 13 53.386 0.050 . 1 . . . . . 95 LYS CA . 53083 1 406 . 1 . 1 94 94 LYS CB C 13 29.573 0.050 . 1 . . . . . 95 LYS CB . 53083 1 407 . 1 . 1 94 94 LYS N N 15 122.624 0.050 . 1 . . . . . 95 LYS N . 53083 1 408 . 1 . 1 95 95 GLY H H 1 8.587 0.005 . 1 . . . . . 96 GLY HN . 53083 1 409 . 1 . 1 95 95 GLY C C 13 172.117 0.050 . 1 . . . . . 96 GLY C . 53083 1 410 . 1 . 1 95 95 GLY CA C 13 42.509 0.050 . 1 . . . . . 96 GLY CA . 53083 1 411 . 1 . 1 95 95 GLY N N 15 110.769 0.050 . 1 . . . . . 96 GLY N . 53083 1 412 . 1 . 1 96 96 SER H H 1 8.398 0.005 . 1 . . . . . 97 SER HN . 53083 1 413 . 1 . 1 96 96 SER C C 13 172.757 0.050 . 1 . . . . . 97 SER C . 53083 1 414 . 1 . 1 96 96 SER CA C 13 56.023 0.050 . 1 . . . . . 97 SER CA . 53083 1 415 . 1 . 1 96 96 SER CB C 13 60.612 0.050 . 1 . . . . . 97 SER CB . 53083 1 416 . 1 . 1 96 96 SER N N 15 116.709 0.050 . 1 . . . . . 97 SER N . 53083 1 417 . 1 . 1 97 97 GLU H H 1 8.685 0.005 . 1 . . . . . 98 GLU HN . 53083 1 418 . 1 . 1 97 97 GLU C C 13 174.700 0.050 . 1 . . . . . 98 GLU C . 53083 1 419 . 1 . 1 97 97 GLU CA C 13 54.489 0.050 . 1 . . . . . 98 GLU CA . 53083 1 420 . 1 . 1 97 97 GLU CB C 13 26.334 0.050 . 1 . . . . . 98 GLU CB . 53083 1 421 . 1 . 1 97 97 GLU N N 15 123.056 0.050 . 1 . . . . . 98 GLU N . 53083 1 422 . 1 . 1 98 98 LEU H H 1 8.125 0.005 . 1 . . . . . 99 LEU HN . 53083 1 423 . 1 . 1 98 98 LEU C C 13 175.599 0.050 . 1 . . . . . 99 LEU C . 53083 1 424 . 1 . 1 98 98 LEU CA C 13 53.127 0.050 . 1 . . . . . 99 LEU CA . 53083 1 425 . 1 . 1 98 98 LEU CB C 13 38.501 0.050 . 1 . . . . . 99 LEU CB . 53083 1 426 . 1 . 1 98 98 LEU N N 15 121.729 0.050 . 1 . . . . . 99 LEU N . 53083 1 427 . 1 . 1 99 99 GLU H H 1 8.191 0.005 . 1 . . . . . 100 GLU HN . 53083 1 428 . 1 . 1 99 99 GLU C C 13 174.540 0.050 . 1 . . . . . 100 GLU C . 53083 1 429 . 1 . 1 99 99 GLU CA C 13 54.190 0.050 . 1 . . . . . 100 GLU CA . 53083 1 430 . 1 . 1 99 99 GLU CB C 13 26.652 0.050 . 1 . . . . . 100 GLU CB . 53083 1 431 . 1 . 1 99 99 GLU N N 15 120.908 0.050 . 1 . . . . . 100 GLU N . 53083 1 432 . 1 . 1 100 100 LYS H H 1 8.251 0.005 . 1 . . . . . 101 LYS HN . 53083 1 433 . 1 . 1 100 100 LYS C C 13 174.575 0.050 . 1 . . . . . 101 LYS C . 53083 1 434 . 1 . 1 100 100 LYS CA C 13 53.747 0.050 . 1 . . . . . 101 LYS CA . 53083 1 435 . 1 . 1 100 100 LYS CB C 13 29.096 0.050 . 1 . . . . . 101 LYS CB . 53083 1 436 . 1 . 1 100 100 LYS N N 15 122.023 0.050 . 1 . . . . . 101 LYS N . 53083 1 437 . 1 . 1 101 101 ARG H H 1 8.308 0.005 . 1 . . . . . 102 ARG HN . 53083 1 438 . 1 . 1 101 101 ARG C C 13 174.745 0.050 . 1 . . . . . 102 ARG C . 53083 1 439 . 1 . 1 101 101 ARG CA C 13 53.835 0.050 . 1 . . . . . 102 ARG CA . 53083 1 440 . 1 . 1 101 101 ARG CB C 13 27.010 0.050 . 1 . . . . . 102 ARG CB . 53083 1 441 . 1 . 1 101 101 ARG N N 15 121.661 0.050 . 1 . . . . . 102 ARG N . 53083 1 442 . 1 . 1 102 102 GLY H H 1 8.437 0.005 . 1 . . . . . 103 GLY HN . 53083 1 443 . 1 . 1 102 102 GLY C C 13 171.938 0.050 . 1 . . . . . 103 GLY C . 53083 1 444 . 1 . 1 102 102 GLY CA C 13 42.585 0.050 . 1 . . . . . 103 GLY CA . 53083 1 445 . 1 . 1 102 102 GLY N N 15 109.951 0.050 . 1 . . . . . 103 GLY N . 53083 1 446 . 1 . 1 103 103 GLU H H 1 8.303 0.005 . 1 . . . . . 104 GLU HN . 53083 1 447 . 1 . 1 103 103 GLU C C 13 174.476 0.050 . 1 . . . . . 104 GLU C . 53083 1 448 . 1 . 1 103 103 GLU CA C 13 53.981 0.050 . 1 . . . . . 104 GLU CA . 53083 1 449 . 1 . 1 103 103 GLU CB C 13 26.982 0.050 . 1 . . . . . 104 GLU CB . 53083 1 450 . 1 . 1 103 103 GLU N N 15 121.608 0.050 . 1 . . . . . 104 GLU N . 53083 1 451 . 1 . 1 104 104 LYS H H 1 8.426 0.005 . 1 . . . . . 105 LYS HN . 53083 1 452 . 1 . 1 104 104 LYS C C 13 174.722 0.050 . 1 . . . . . 105 LYS C . 53083 1 453 . 1 . 1 104 104 LYS CA C 13 54.023 0.050 . 1 . . . . . 105 LYS CA . 53083 1 454 . 1 . 1 104 104 LYS CB C 13 29.088 0.050 . 1 . . . . . 105 LYS CB . 53083 1 455 . 1 . 1 104 104 LYS N N 15 122.341 0.050 . 1 . . . . . 105 LYS N . 53083 1 456 . 1 . 1 105 105 ARG H H 1 8.387 0.005 . 1 . . . . . 106 ARG HN . 53083 1 457 . 1 . 1 105 105 ARG C C 13 174.237 0.050 . 1 . . . . . 106 ARG C . 53083 1 458 . 1 . 1 105 105 ARG CA C 13 53.867 0.050 . 1 . . . . . 106 ARG CA . 53083 1 459 . 1 . 1 105 105 ARG CB C 13 27.077 0.050 . 1 . . . . . 106 ARG CB . 53083 1 460 . 1 . 1 105 105 ARG N N 15 122.512 0.050 . 1 . . . . . 106 ARG N . 53083 1 461 . 1 . 1 106 106 GLN H H 1 8.464 0.005 . 1 . . . . . 107 GLN HN . 53083 1 462 . 1 . 1 106 106 GLN C C 13 174.201 0.050 . 1 . . . . . 107 GLN C . 53083 1 463 . 1 . 1 106 106 GLN CA C 13 53.760 0.050 . 1 . . . . . 107 GLN CA . 53083 1 464 . 1 . 1 106 106 GLN CB C 13 25.968 0.050 . 1 . . . . . 107 GLN CB . 53083 1 465 . 1 . 1 106 106 GLN N N 15 121.686 0.050 . 1 . . . . . 107 GLN N . 53083 1 466 . 1 . 1 107 107 LYS H H 1 8.432 0.005 . 1 . . . . . 108 LYS HN . 53083 1 467 . 1 . 1 107 107 LYS C C 13 174.770 0.050 . 1 . . . . . 108 LYS C . 53083 1 468 . 1 . 1 107 107 LYS CA C 13 54.087 0.050 . 1 . . . . . 108 LYS CA . 53083 1 469 . 1 . 1 107 107 LYS CB C 13 29.139 0.050 . 1 . . . . . 108 LYS CB . 53083 1 470 . 1 . 1 107 107 LYS N N 15 122.475 0.050 . 1 . . . . . 108 LYS N . 53083 1 471 . 1 . 1 108 108 ALA H H 1 8.381 0.005 . 1 . . . . . 109 ALA HN . 53083 1 472 . 1 . 1 108 108 ALA C C 13 176.553 0.050 . 1 . . . . . 109 ALA C . 53083 1 473 . 1 . 1 108 108 ALA CA C 13 51.011 0.050 . 1 . . . . . 109 ALA CA . 53083 1 474 . 1 . 1 108 108 ALA CB C 13 15.347 0.050 . 1 . . . . . 109 ALA CB . 53083 1 475 . 1 . 1 108 108 ALA N N 15 124.619 0.050 . 1 . . . . . 109 ALA N . 53083 1 476 . 1 . 1 109 109 GLU H H 1 8.564 0.005 . 1 . . . . . 110 GLU HN . 53083 1 477 . 1 . 1 109 109 GLU C C 13 175.533 0.050 . 1 . . . . . 110 GLU C . 53083 1 478 . 1 . 1 109 109 GLU CA C 13 55.242 0.050 . 1 . . . . . 110 GLU CA . 53083 1 479 . 1 . 1 109 109 GLU CB C 13 26.244 0.050 . 1 . . . . . 110 GLU CB . 53083 1 480 . 1 . 1 109 109 GLU N N 15 119.190 0.050 . 1 . . . . . 110 GLU N . 53083 1 481 . 1 . 1 110 110 GLU H H 1 8.222 0.005 . 1 . . . . . 111 GLU HN . 53083 1 482 . 1 . 1 110 110 GLU C C 13 175.370 0.050 . 1 . . . . . 111 GLU C . 53083 1 483 . 1 . 1 110 110 GLU CA C 13 54.889 0.050 . 1 . . . . . 111 GLU CA . 53083 1 484 . 1 . 1 110 110 GLU CB C 13 26.374 0.050 . 1 . . . . . 111 GLU CB . 53083 1 485 . 1 . 1 110 110 GLU N N 15 121.179 0.050 . 1 . . . . . 111 GLU N . 53083 1 486 . 1 . 1 111 111 LEU H H 1 8.072 0.005 . 1 . . . . . 112 LEU HN . 53083 1 487 . 1 . 1 111 111 LEU C C 13 176.115 0.050 . 1 . . . . . 112 LEU C . 53083 1 488 . 1 . 1 111 111 LEU CA C 13 53.488 0.050 . 1 . . . . . 112 LEU CA . 53083 1 489 . 1 . 1 111 111 LEU CB C 13 38.319 0.050 . 1 . . . . . 112 LEU CB . 53083 1 490 . 1 . 1 111 111 LEU N N 15 121.724 0.050 . 1 . . . . . 112 LEU N . 53083 1 491 . 1 . 1 112 112 LEU H H 1 8.073 0.005 . 1 . . . . . 113 LEU HN . 53083 1 492 . 1 . 1 112 112 LEU C C 13 175.377 0.050 . 1 . . . . . 113 LEU C . 53083 1 493 . 1 . 1 112 112 LEU CA C 13 53.419 0.050 . 1 . . . . . 113 LEU CA . 53083 1 494 . 1 . 1 112 112 LEU CB C 13 38.335 0.050 . 1 . . . . . 113 LEU CB . 53083 1 495 . 1 . 1 112 112 LEU N N 15 121.762 0.050 . 1 . . . . . 113 LEU N . 53083 1 496 . 1 . 1 113 113 LYS H H 1 7.998 0.005 . 1 . . . . . 114 LYS HN . 53083 1 497 . 1 . 1 113 113 LYS C C 13 174.970 0.050 . 1 . . . . . 114 LYS C . 53083 1 498 . 1 . 1 113 113 LYS CA C 13 54.694 0.050 . 1 . . . . . 114 LYS CA . 53083 1 499 . 1 . 1 113 113 LYS CB C 13 29.143 0.050 . 1 . . . . . 114 LYS CB . 53083 1 500 . 1 . 1 113 113 LYS N N 15 121.129 0.050 . 1 . . . . . 114 LYS N . 53083 1 501 . 1 . 1 114 114 LYS H H 1 8.078 0.005 . 1 . . . . . 115 LYS HN . 53083 1 502 . 1 . 1 114 114 LYS C C 13 174.522 0.050 . 1 . . . . . 115 LYS C . 53083 1 503 . 1 . 1 114 114 LYS CA C 13 54.151 0.050 . 1 . . . . . 115 LYS CA . 53083 1 504 . 1 . 1 114 114 LYS CB C 13 29.279 0.050 . 1 . . . . . 115 LYS CB . 53083 1 505 . 1 . 1 114 114 LYS N N 15 121.532 0.050 . 1 . . . . . 115 LYS N . 53083 1 506 . 1 . 1 115 115 ALA H H 1 8.223 0.005 . 1 . . . . . 116 ALA HN . 53083 1 507 . 1 . 1 115 115 ALA C C 13 176.182 0.050 . 1 . . . . . 116 ALA C . 53083 1 508 . 1 . 1 115 115 ALA CA C 13 50.382 0.050 . 1 . . . . . 116 ALA CA . 53083 1 509 . 1 . 1 115 115 ALA CB C 13 15.591 0.050 . 1 . . . . . 116 ALA CB . 53083 1 510 . 1 . 1 115 115 ALA N N 15 124.129 0.050 . 1 . . . . . 116 ALA N . 53083 1 511 . 1 . 1 116 116 LYS H H 1 8.273 0.005 . 1 . . . . . 117 LYS HN . 53083 1 512 . 1 . 1 116 116 LYS C C 13 175.107 0.050 . 1 . . . . . 117 LYS C . 53083 1 513 . 1 . 1 116 116 LYS CA C 13 54.432 0.050 . 1 . . . . . 117 LYS CA . 53083 1 514 . 1 . 1 116 116 LYS CB C 13 29.197 0.050 . 1 . . . . . 117 LYS CB . 53083 1 515 . 1 . 1 116 116 LYS N N 15 119.971 0.050 . 1 . . . . . 117 LYS N . 53083 1 516 . 1 . 1 117 117 GLU H H 1 8.355 0.005 . 1 . . . . . 118 GLU HN . 53083 1 517 . 1 . 1 117 117 GLU C C 13 174.657 0.050 . 1 . . . . . 118 GLU C . 53083 1 518 . 1 . 1 117 117 GLU CA C 13 54.327 0.050 . 1 . . . . . 118 GLU CA . 53083 1 519 . 1 . 1 117 117 GLU CB C 13 26.615 0.050 . 1 . . . . . 118 GLU CB . 53083 1 520 . 1 . 1 117 117 GLU N N 15 121.732 0.050 . 1 . . . . . 118 GLU N . 53083 1 521 . 1 . 1 118 118 GLU H H 1 8.397 0.005 . 1 . . . . . 119 GLU HN . 53083 1 522 . 1 . 1 118 118 GLU C C 13 174.648 0.050 . 1 . . . . . 119 GLU C . 53083 1 523 . 1 . 1 118 118 GLU CA C 13 53.861 0.050 . 1 . . . . . 119 GLU CA . 53083 1 524 . 1 . 1 118 118 GLU CB C 13 26.927 0.050 . 1 . . . . . 119 GLU CB . 53083 1 525 . 1 . 1 118 118 GLU N N 15 120.754 0.050 . 1 . . . . . 119 GLU N . 53083 1 526 . 1 . 1 119 119 GLY H H 1 8.319 0.005 . 1 . . . . . 120 GLY HN . 53083 1 527 . 1 . 1 119 119 GLY C C 13 171.522 0.050 . 1 . . . . . 120 GLY C . 53083 1 528 . 1 . 1 119 119 GLY CA C 13 42.609 0.050 . 1 . . . . . 120 GLY CA . 53083 1 529 . 1 . 1 119 119 GLY N N 15 109.610 0.050 . 1 . . . . . 120 GLY N . 53083 1 530 . 1 . 1 120 120 ASN H H 1 8.362 0.005 . 1 . . . . . 121 ASN HN . 53083 1 531 . 1 . 1 120 120 ASN C C 13 172.942 0.050 . 1 . . . . . 121 ASN C . 53083 1 532 . 1 . 1 120 120 ASN CA C 13 50.105 0.050 . 1 . . . . . 121 ASN CA . 53083 1 533 . 1 . 1 120 120 ASN CB C 13 35.515 0.050 . 1 . . . . . 121 ASN CB . 53083 1 534 . 1 . 1 120 120 ASN N N 15 119.163 0.050 . 1 . . . . . 121 ASN N . 53083 1 535 . 1 . 1 121 121 LEU H H 1 8.362 0.005 . 1 . . . . . 122 LEU HN . 53083 1 536 . 1 . 1 121 121 LEU C C 13 175.620 0.050 . 1 . . . . . 122 LEU C . 53083 1 537 . 1 . 1 121 121 LEU CA C 13 53.557 0.050 . 1 . . . . . 122 LEU CA . 53083 1 538 . 1 . 1 121 121 LEU CB C 13 38.415 0.050 . 1 . . . . . 122 LEU CB . 53083 1 539 . 1 . 1 121 121 LEU N N 15 123.401 0.050 . 1 . . . . . 122 LEU N . 53083 1 540 . 1 . 1 122 122 GLU H H 1 8.447 0.005 . 1 . . . . . 123 GLU HN . 53083 1 541 . 1 . 1 122 122 GLU C C 13 175.029 0.050 . 1 . . . . . 123 GLU C . 53083 1 542 . 1 . 1 122 122 GLU CA C 13 54.805 0.050 . 1 . . . . . 123 GLU CA . 53083 1 543 . 1 . 1 122 122 GLU CB C 13 26.395 0.050 . 1 . . . . . 123 GLU CB . 53083 1 544 . 1 . 1 122 122 GLU N N 15 120.371 0.050 . 1 . . . . . 123 GLU N . 53083 1 545 . 1 . 1 123 123 GLU H H 1 8.149 0.005 . 1 . . . . . 124 GLU HN . 53083 1 546 . 1 . 1 123 123 GLU C C 13 175.005 0.050 . 1 . . . . . 124 GLU C . 53083 1 547 . 1 . 1 123 123 GLU CA C 13 54.441 0.050 . 1 . . . . . 124 GLU CA . 53083 1 548 . 1 . 1 123 123 GLU CB C 13 26.628 0.050 . 1 . . . . . 124 GLU CB . 53083 1 549 . 1 . 1 123 123 GLU N N 15 121.256 0.050 . 1 . . . . . 124 GLU N . 53083 1 550 . 1 . 1 124 124 ILE H H 1 8.138 0.005 . 1 . . . . . 125 ILE HN . 53083 1 551 . 1 . 1 124 124 ILE C C 13 174.918 0.050 . 1 . . . . . 125 ILE C . 53083 1 552 . 1 . 1 124 124 ILE CA C 13 59.703 0.050 . 1 . . . . . 125 ILE CA . 53083 1 553 . 1 . 1 124 124 ILE CB C 13 34.721 0.050 . 1 . . . . . 125 ILE CB . 53083 1 554 . 1 . 1 124 124 ILE N N 15 121.623 0.050 . 1 . . . . . 125 ILE N . 53083 1 555 . 1 . 1 125 125 LYS H H 1 8.243 0.005 . 1 . . . . . 126 LYS HN . 53083 1 556 . 1 . 1 125 125 LYS C C 13 174.969 0.050 . 1 . . . . . 126 LYS C . 53083 1 557 . 1 . 1 125 125 LYS CA C 13 54.472 0.050 . 1 . . . . . 126 LYS CA . 53083 1 558 . 1 . 1 125 125 LYS CB C 13 29.088 0.050 . 1 . . . . . 126 LYS CB . 53083 1 559 . 1 . 1 125 125 LYS N N 15 123.686 0.050 . 1 . . . . . 126 LYS N . 53083 1 560 . 1 . 1 131 131 THR C C 13 171.904 0.050 . 1 . . . . . 132 THR C . 53083 1 561 . 1 . 1 131 131 THR CA C 13 59.372 0.050 . 1 . . . . . 132 THR CA . 53083 1 562 . 1 . 1 131 131 THR CB C 13 66.697 0.050 . 1 . . . . . 132 THR CB . 53083 1 563 . 1 . 1 132 132 VAL H H 1 8.183 0.005 . 1 . . . . . 133 VAL HN . 53083 1 564 . 1 . 1 132 132 VAL C C 13 172.405 0.050 . 1 . . . . . 133 VAL C . 53083 1 565 . 1 . 1 132 132 VAL CA C 13 59.389 0.050 . 1 . . . . . 133 VAL CA . 53083 1 566 . 1 . 1 132 132 VAL CB C 13 29.294 0.050 . 1 . . . . . 133 VAL CB . 53083 1 567 . 1 . 1 132 132 VAL N N 15 123.533 0.050 . 1 . . . . . 133 VAL N . 53083 1 568 . 1 . 1 133 133 ARG H H 1 8.193 0.005 . 1 . . . . . 134 ARG HN . 53083 1 569 . 1 . 1 133 133 ARG C C 13 172.726 0.050 . 1 . . . . . 134 ARG C . 53083 1 570 . 1 . 1 133 133 ARG CA C 13 52.110 0.050 . 1 . . . . . 134 ARG CA . 53083 1 571 . 1 . 1 133 133 ARG CB C 13 28.797 0.050 . 1 . . . . . 134 ARG CB . 53083 1 572 . 1 . 1 133 133 ARG N N 15 123.927 0.050 . 1 . . . . . 134 ARG N . 53083 1 573 . 1 . 1 134 134 VAL H H 1 8.381 0.005 . 1 . . . . . 135 VAL HN . 53083 1 574 . 1 . 1 134 134 VAL C C 13 174.672 0.050 . 1 . . . . . 135 VAL C . 53083 1 575 . 1 . 1 134 134 VAL CA C 13 59.467 0.050 . 1 . . . . . 135 VAL CA . 53083 1 576 . 1 . 1 134 134 VAL CB C 13 28.993 0.050 . 1 . . . . . 135 VAL CB . 53083 1 577 . 1 . 1 134 134 VAL N N 15 123.022 0.050 . 1 . . . . . 135 VAL N . 53083 1 578 . 1 . 1 135 135 THR H H 1 8.870 0.005 . 1 . . . . . 136 THR HN . 53083 1 579 . 1 . 1 135 135 THR C C 13 173.044 0.050 . 1 . . . . . 136 THR C . 53083 1 580 . 1 . 1 135 135 THR CA C 13 58.084 0.050 . 1 . . . . . 136 THR CA . 53083 1 581 . 1 . 1 135 135 THR CB C 13 68.190 0.050 . 1 . . . . . 136 THR CB . 53083 1 582 . 1 . 1 135 135 THR N N 15 119.424 0.050 . 1 . . . . . 136 THR N . 53083 1 583 . 1 . 1 136 136 ARG C C 13 176.195 0.050 . 1 . . . . . 137 ARG C . 53083 1 584 . 1 . 1 136 136 ARG CA C 13 56.696 0.050 . 1 . . . . . 137 ARG CA . 53083 1 585 . 1 . 1 136 136 ARG CB C 13 26.096 0.050 . 1 . . . . . 137 ARG CB . 53083 1 586 . 1 . 1 137 137 LYS H H 1 8.366 0.005 . 1 . . . . . 138 LYS HN . 53083 1 587 . 1 . 1 137 137 LYS C C 13 175.871 0.050 . 1 . . . . . 138 LYS C . 53083 1 588 . 1 . 1 137 137 LYS CA C 13 56.435 0.050 . 1 . . . . . 138 LYS CA . 53083 1 589 . 1 . 1 137 137 LYS CB C 13 29.141 0.050 . 1 . . . . . 138 LYS CB . 53083 1 590 . 1 . 1 137 137 LYS N N 15 119.814 0.050 . 1 . . . . . 138 LYS N . 53083 1 591 . 1 . 1 138 138 GLN H H 1 7.866 0.005 . 1 . . . . . 139 GLN HN . 53083 1 592 . 1 . 1 138 138 GLN C C 13 176.647 0.050 . 1 . . . . . 139 GLN C . 53083 1 593 . 1 . 1 138 138 GLN CA C 13 56.102 0.050 . 1 . . . . . 139 GLN CA . 53083 1 594 . 1 . 1 138 138 GLN CB C 13 24.581 0.050 . 1 . . . . . 139 GLN CB . 53083 1 595 . 1 . 1 138 138 GLN N N 15 118.073 0.050 . 1 . . . . . 139 GLN N . 53083 1 596 . 1 . 1 139 139 ASN H H 1 8.037 0.005 . 1 . . . . . 140 ASN HN . 53083 1 597 . 1 . 1 139 139 ASN C C 13 174.814 0.050 . 1 . . . . . 140 ASN C . 53083 1 598 . 1 . 1 139 139 ASN CA C 13 54.197 0.050 . 1 . . . . . 140 ASN CA . 53083 1 599 . 1 . 1 139 139 ASN CB C 13 36.773 0.050 . 1 . . . . . 140 ASN CB . 53083 1 600 . 1 . 1 139 139 ASN N N 15 117.749 0.050 . 1 . . . . . 140 ASN N . 53083 1 601 . 1 . 1 140 140 GLU H H 1 8.577 0.005 . 1 . . . . . 141 GLU HN . 53083 1 602 . 1 . 1 140 140 GLU C C 13 177.906 0.050 . 1 . . . . . 141 GLU C . 53083 1 603 . 1 . 1 140 140 GLU CA C 13 56.532 0.050 . 1 . . . . . 141 GLU CA . 53083 1 604 . 1 . 1 140 140 GLU CB C 13 25.793 0.050 . 1 . . . . . 141 GLU CB . 53083 1 605 . 1 . 1 140 140 GLU N N 15 119.288 0.050 . 1 . . . . . 141 GLU N . 53083 1 606 . 1 . 1 141 141 GLU H H 1 8.863 0.005 . 1 . . . . . 142 GLU HN . 53083 1 607 . 1 . 1 141 141 GLU C C 13 175.383 0.050 . 1 . . . . . 142 GLU C . 53083 1 608 . 1 . 1 141 141 GLU CA C 13 56.276 0.050 . 1 . . . . . 142 GLU CA . 53083 1 609 . 1 . 1 141 141 GLU CB C 13 26.258 0.050 . 1 . . . . . 142 GLU CB . 53083 1 610 . 1 . 1 141 141 GLU N N 15 121.504 0.050 . 1 . . . . . 142 GLU N . 53083 1 611 . 1 . 1 142 142 ALA H H 1 8.094 0.005 . 1 . . . . . 143 ALA HN . 53083 1 612 . 1 . 1 142 142 ALA C C 13 176.222 0.050 . 1 . . . . . 143 ALA C . 53083 1 613 . 1 . 1 142 142 ALA CA C 13 52.205 0.050 . 1 . . . . . 143 ALA CA . 53083 1 614 . 1 . 1 142 142 ALA CB C 13 16.399 0.050 . 1 . . . . . 143 ALA CB . 53083 1 615 . 1 . 1 142 142 ALA N N 15 121.534 0.050 . 1 . . . . . 143 ALA N . 53083 1 616 . 1 . 1 143 143 LYS H H 1 8.012 0.005 . 1 . . . . . 144 LYS HN . 53083 1 617 . 1 . 1 143 143 LYS C C 13 176.486 0.050 . 1 . . . . . 144 LYS C . 53083 1 618 . 1 . 1 143 143 LYS CA C 13 57.316 0.050 . 1 . . . . . 144 LYS CA . 53083 1 619 . 1 . 1 143 143 LYS CB C 13 29.152 0.050 . 1 . . . . . 144 LYS CB . 53083 1 620 . 1 . 1 143 143 LYS N N 15 116.734 0.050 . 1 . . . . . 144 LYS N . 53083 1 621 . 1 . 1 144 144 LYS H H 1 7.881 0.005 . 1 . . . . . 145 LYS HN . 53083 1 622 . 1 . 1 144 144 LYS C C 13 174.940 0.050 . 1 . . . . . 145 LYS C . 53083 1 623 . 1 . 1 144 144 LYS CA C 13 56.451 0.050 . 1 . . . . . 145 LYS CA . 53083 1 624 . 1 . 1 144 144 LYS CB C 13 28.248 0.050 . 1 . . . . . 145 LYS CB . 53083 1 625 . 1 . 1 144 144 LYS N N 15 121.958 0.050 . 1 . . . . . 145 LYS N . 53083 1 626 . 1 . 1 145 145 LEU H H 1 8.094 0.005 . 1 . . . . . 146 LEU HN . 53083 1 627 . 1 . 1 145 145 LEU C C 13 175.498 0.050 . 1 . . . . . 146 LEU C . 53083 1 628 . 1 . 1 145 145 LEU CA C 13 55.358 0.050 . 1 . . . . . 146 LEU CA . 53083 1 629 . 1 . 1 145 145 LEU CB C 13 38.062 0.050 . 1 . . . . . 146 LEU CB . 53083 1 630 . 1 . 1 145 145 LEU N N 15 119.055 0.050 . 1 . . . . . 146 LEU N . 53083 1 631 . 1 . 1 146 146 LEU H H 1 7.957 0.005 . 1 . . . . . 147 LEU HN . 53083 1 632 . 1 . 1 146 146 LEU C C 13 176.391 0.050 . 1 . . . . . 147 LEU C . 53083 1 633 . 1 . 1 146 146 LEU CA C 13 55.103 0.050 . 1 . . . . . 147 LEU CA . 53083 1 634 . 1 . 1 146 146 LEU CB C 13 37.792 0.050 . 1 . . . . . 147 LEU CB . 53083 1 635 . 1 . 1 146 146 LEU N N 15 116.536 0.050 . 1 . . . . . 147 LEU N . 53083 1 636 . 1 . 1 147 147 THR H H 1 8.101 0.005 . 1 . . . . . 148 THR HN . 53083 1 637 . 1 . 1 147 147 THR C C 13 176.284 0.050 . 1 . . . . . 148 THR C . 53083 1 638 . 1 . 1 147 147 THR CA C 13 63.560 0.050 . 1 . . . . . 148 THR CA . 53083 1 639 . 1 . 1 147 147 THR CB C 13 65.471 0.050 . 1 . . . . . 148 THR CB . 53083 1 640 . 1 . 1 147 147 THR N N 15 115.264 0.050 . 1 . . . . . 148 THR N . 53083 1 641 . 1 . 1 148 148 LEU H H 1 8.381 0.005 . 1 . . . . . 149 LEU HN . 53083 1 642 . 1 . 1 148 148 LEU C C 13 175.844 0.050 . 1 . . . . . 149 LEU C . 53083 1 643 . 1 . 1 148 148 LEU CA C 13 55.025 0.050 . 1 . . . . . 149 LEU CA . 53083 1 644 . 1 . 1 148 148 LEU CB C 13 39.347 0.050 . 1 . . . . . 149 LEU CB . 53083 1 645 . 1 . 1 148 148 LEU N N 15 123.865 0.050 . 1 . . . . . 149 LEU N . 53083 1 646 . 1 . 1 149 149 MET H H 1 8.006 0.005 . 1 . . . . . 150 MET HN . 53083 1 647 . 1 . 1 149 149 MET C C 13 172.199 0.050 . 1 . . . . . 150 MET C . 53083 1 648 . 1 . 1 149 149 MET CA C 13 55.079 0.050 . 1 . . . . . 150 MET CA . 53083 1 649 . 1 . 1 149 149 MET CB C 13 31.802 0.050 . 1 . . . . . 150 MET CB . 53083 1 650 . 1 . 1 149 149 MET N N 15 115.568 0.050 . 1 . . . . . 150 MET N . 53083 1 651 . 1 . 1 150 150 GLY H H 1 7.850 0.005 . 1 . . . . . 151 GLY HN . 53083 1 652 . 1 . 1 150 150 GLY C C 13 171.825 0.050 . 1 . . . . . 151 GLY C . 53083 1 653 . 1 . 1 150 150 GLY CA C 13 42.306 0.050 . 1 . . . . . 151 GLY CA . 53083 1 654 . 1 . 1 150 150 GLY N N 15 106.649 0.050 . 1 . . . . . 151 GLY N . 53083 1 655 . 1 . 1 151 151 ILE H H 1 8.100 0.005 . 1 . . . . . 152 ILE HN . 53083 1 656 . 1 . 1 151 151 ILE C C 13 170.813 0.050 . 1 . . . . . 152 ILE C . 53083 1 657 . 1 . 1 151 151 ILE CA C 13 55.382 0.050 . 1 . . . . . 152 ILE CA . 53083 1 658 . 1 . 1 151 151 ILE CB C 13 36.341 0.050 . 1 . . . . . 152 ILE CB . 53083 1 659 . 1 . 1 151 151 ILE N N 15 124.135 0.050 . 1 . . . . . 152 ILE N . 53083 1 660 . 1 . 1 152 152 PRO C C 13 172.928 0.050 . 1 . . . . . 153 PRO C . 53083 1 661 . 1 . 1 152 152 PRO CA C 13 60.292 0.050 . 1 . . . . . 153 PRO CA . 53083 1 662 . 1 . 1 152 152 PRO CB C 13 29.056 0.050 . 1 . . . . . 153 PRO CB . 53083 1 663 . 1 . 1 153 153 ILE H H 1 7.795 0.005 . 1 . . . . . 154 ILE HN . 53083 1 664 . 1 . 1 153 153 ILE C C 13 173.567 0.050 . 1 . . . . . 154 ILE C . 53083 1 665 . 1 . 1 153 153 ILE CA C 13 54.788 0.050 . 1 . . . . . 154 ILE CA . 53083 1 666 . 1 . 1 153 153 ILE CB C 13 39.423 0.050 . 1 . . . . . 154 ILE CB . 53083 1 667 . 1 . 1 153 153 ILE N N 15 114.442 0.050 . 1 . . . . . 154 ILE N . 53083 1 668 . 1 . 1 154 154 ILE H H 1 8.893 0.005 . 1 . . . . . 155 ILE HN . 53083 1 669 . 1 . 1 154 154 ILE C C 13 172.155 0.050 . 1 . . . . . 155 ILE C . 53083 1 670 . 1 . 1 154 154 ILE CA C 13 56.160 0.050 . 1 . . . . . 155 ILE CA . 53083 1 671 . 1 . 1 154 154 ILE CB C 13 38.252 0.050 . 1 . . . . . 155 ILE CB . 53083 1 672 . 1 . 1 154 154 ILE N N 15 122.167 0.050 . 1 . . . . . 155 ILE N . 53083 1 673 . 1 . 1 155 155 GLU H H 1 9.001 0.005 . 1 . . . . . 156 GLU HN . 53083 1 674 . 1 . 1 155 155 GLU C C 13 171.793 0.050 . 1 . . . . . 156 GLU C . 53083 1 675 . 1 . 1 155 155 GLU CA C 13 52.350 0.050 . 1 . . . . . 156 GLU CA . 53083 1 676 . 1 . 1 155 155 GLU CB C 13 25.475 0.050 . 1 . . . . . 156 GLU CB . 53083 1 677 . 1 . 1 155 155 GLU N N 15 129.128 0.050 . 1 . . . . . 156 GLU N . 53083 1 678 . 1 . 1 156 156 ALA H H 1 8.682 0.005 . 1 . . . . . 157 ALA HN . 53083 1 679 . 1 . 1 156 156 ALA C C 13 173.296 0.050 . 1 . . . . . 157 ALA C . 53083 1 680 . 1 . 1 156 156 ALA CA C 13 47.777 0.050 . 1 . . . . . 157 ALA CA . 53083 1 681 . 1 . 1 156 156 ALA CB C 13 14.739 0.050 . 1 . . . . . 157 ALA CB . 53083 1 682 . 1 . 1 156 156 ALA N N 15 128.862 0.050 . 1 . . . . . 157 ALA N . 53083 1 683 . 1 . 1 157 157 PRO C C 13 175.807 0.050 . 1 . . . . . 158 PRO C . 53083 1 684 . 1 . 1 157 157 PRO CA C 13 61.346 0.050 . 1 . . . . . 158 PRO CA . 53083 1 685 . 1 . 1 157 157 PRO CB C 13 28.679 0.050 . 1 . . . . . 158 PRO CB . 53083 1 686 . 1 . 1 158 158 CYS H H 1 8.145 0.005 . 1 . . . . . 159 CYS HN . 53083 1 687 . 1 . 1 158 158 CYS C C 13 170.594 0.050 . 1 . . . . . 159 CYS C . 53083 1 688 . 1 . 1 158 158 CYS CA C 13 55.617 0.050 . 1 . . . . . 159 CYS CA . 53083 1 689 . 1 . 1 158 158 CYS CB C 13 24.297 0.050 . 1 . . . . . 159 CYS CB . 53083 1 690 . 1 . 1 158 158 CYS N N 15 119.281 0.050 . 1 . . . . . 159 CYS N . 53083 1 691 . 1 . 1 159 159 GLU H H 1 8.508 0.005 . 1 . . . . . 160 GLU HN . 53083 1 692 . 1 . 1 159 159 GLU C C 13 174.918 0.050 . 1 . . . . . 160 GLU C . 53083 1 693 . 1 . 1 159 159 GLU CA C 13 53.914 0.050 . 1 . . . . . 160 GLU CA . 53083 1 694 . 1 . 1 159 159 GLU CB C 13 25.960 0.050 . 1 . . . . . 160 GLU CB . 53083 1 695 . 1 . 1 159 159 GLU N N 15 123.652 0.050 . 1 . . . . . 160 GLU N . 53083 1 696 . 1 . 1 160 160 ALA H H 1 10.111 0.005 . 1 . . . . . 161 ALA HN . 53083 1 697 . 1 . 1 160 160 ALA C C 13 178.529 0.050 . 1 . . . . . 161 ALA C . 53083 1 698 . 1 . 1 160 160 ALA CA C 13 52.209 0.050 . 1 . . . . . 161 ALA CA . 53083 1 699 . 1 . 1 160 160 ALA CB C 13 15.271 0.050 . 1 . . . . . 161 ALA CB . 53083 1 700 . 1 . 1 160 160 ALA N N 15 127.346 0.050 . 1 . . . . . 161 ALA N . 53083 1 701 . 1 . 1 161 161 GLU H H 1 9.954 0.005 . 1 . . . . . 162 GLU HN . 53083 1 702 . 1 . 1 161 161 GLU C C 13 175.839 0.050 . 1 . . . . . 162 GLU C . 53083 1 703 . 1 . 1 161 161 GLU CA C 13 57.837 0.050 . 1 . . . . . 162 GLU CA . 53083 1 704 . 1 . 1 161 161 GLU CB C 13 25.849 0.050 . 1 . . . . . 162 GLU CB . 53083 1 705 . 1 . 1 161 161 GLU N N 15 117.309 0.050 . 1 . . . . . 162 GLU N . 53083 1 706 . 1 . 1 162 162 SER H H 1 6.804 0.005 . 1 . . . . . 163 SER HN . 53083 1 707 . 1 . 1 162 162 SER C C 13 174.186 0.050 . 1 . . . . . 163 SER C . 53083 1 708 . 1 . 1 162 162 SER CA C 13 57.205 0.050 . 1 . . . . . 163 SER CA . 53083 1 709 . 1 . 1 162 162 SER N N 15 114.241 0.050 . 1 . . . . . 163 SER N . 53083 1 710 . 1 . 1 163 163 GLN H H 1 7.030 0.005 . 1 . . . . . 164 GLN HN . 53083 1 711 . 1 . 1 163 163 GLN C C 13 176.971 0.050 . 1 . . . . . 164 GLN C . 53083 1 712 . 1 . 1 163 163 GLN CA C 13 55.455 0.050 . 1 . . . . . 164 GLN CA . 53083 1 713 . 1 . 1 163 163 GLN CB C 13 26.518 0.050 . 1 . . . . . 164 GLN CB . 53083 1 714 . 1 . 1 163 163 GLN N N 15 124.117 0.050 . 1 . . . . . 164 GLN N . 53083 1 715 . 1 . 1 164 164 CYS H H 1 9.264 0.005 . 1 . . . . . 165 CYS HN . 53083 1 716 . 1 . 1 164 164 CYS C C 13 172.934 0.050 . 1 . . . . . 165 CYS C . 53083 1 717 . 1 . 1 164 164 CYS CA C 13 62.154 0.050 . 1 . . . . . 165 CYS CA . 53083 1 718 . 1 . 1 164 164 CYS CB C 13 24.317 0.050 . 1 . . . . . 165 CYS CB . 53083 1 719 . 1 . 1 164 164 CYS N N 15 119.706 0.050 . 1 . . . . . 165 CYS N . 53083 1 720 . 1 . 1 165 165 ALA H H 1 7.618 0.005 . 1 . . . . . 166 ALA HN . 53083 1 721 . 1 . 1 165 165 ALA C C 13 179.440 0.050 . 1 . . . . . 166 ALA C . 53083 1 722 . 1 . 1 165 165 ALA CA C 13 52.496 0.050 . 1 . . . . . 166 ALA CA . 53083 1 723 . 1 . 1 165 165 ALA CB C 13 16.142 0.050 . 1 . . . . . 166 ALA CB . 53083 1 724 . 1 . 1 165 165 ALA N N 15 120.177 0.050 . 1 . . . . . 166 ALA N . 53083 1 725 . 1 . 1 166 166 PHE H H 1 8.564 0.005 . 1 . . . . . 167 PHE HN . 53083 1 726 . 1 . 1 166 166 PHE C C 13 173.714 0.050 . 1 . . . . . 167 PHE C . 53083 1 727 . 1 . 1 166 166 PHE CA C 13 59.699 0.050 . 1 . . . . . 167 PHE CA . 53083 1 728 . 1 . 1 166 166 PHE CB C 13 34.217 0.050 . 1 . . . . . 167 PHE CB . 53083 1 729 . 1 . 1 166 166 PHE N N 15 119.808 0.050 . 1 . . . . . 167 PHE N . 53083 1 730 . 1 . 1 167 167 LEU H H 1 8.106 0.005 . 1 . . . . . 168 LEU HN . 53083 1 731 . 1 . 1 167 167 LEU C C 13 177.293 0.050 . 1 . . . . . 168 LEU C . 53083 1 732 . 1 . 1 167 167 LEU CA C 13 56.159 0.050 . 1 . . . . . 168 LEU CA . 53083 1 733 . 1 . 1 167 167 LEU CB C 13 37.360 0.050 . 1 . . . . . 168 LEU CB . 53083 1 734 . 1 . 1 167 167 LEU N N 15 117.781 0.050 . 1 . . . . . 168 LEU N . 53083 1 735 . 1 . 1 168 168 THR H H 1 7.447 0.005 . 1 . . . . . 169 THR HN . 53083 1 736 . 1 . 1 168 168 THR C C 13 175.634 0.050 . 1 . . . . . 169 THR C . 53083 1 737 . 1 . 1 168 168 THR CA C 13 61.085 0.050 . 1 . . . . . 169 THR CA . 53083 1 738 . 1 . 1 168 168 THR CB C 13 66.029 0.050 . 1 . . . . . 169 THR CB . 53083 1 739 . 1 . 1 168 168 THR N N 15 108.884 0.050 . 1 . . . . . 169 THR N . 53083 1 740 . 1 . 1 169 169 LYS H H 1 7.287 0.005 . 1 . . . . . 170 LYS HN . 53083 1 741 . 1 . 1 169 169 LYS C C 13 176.114 0.050 . 1 . . . . . 170 LYS C . 53083 1 742 . 1 . 1 169 169 LYS CA C 13 57.361 0.050 . 1 . . . . . 170 LYS CA . 53083 1 743 . 1 . 1 169 169 LYS CB C 13 27.924 0.050 . 1 . . . . . 170 LYS CB . 53083 1 744 . 1 . 1 169 169 LYS N N 15 127.039 0.050 . 1 . . . . . 170 LYS N . 53083 1 745 . 1 . 1 170 170 TYR H H 1 8.305 0.005 . 1 . . . . . 171 TYR HN . 53083 1 746 . 1 . 1 170 170 TYR C C 13 172.754 0.050 . 1 . . . . . 171 TYR C . 53083 1 747 . 1 . 1 170 170 TYR CA C 13 51.269 0.050 . 1 . . . . . 171 TYR CA . 53083 1 748 . 1 . 1 170 170 TYR CB C 13 35.017 0.050 . 1 . . . . . 171 TYR CB . 53083 1 749 . 1 . 1 170 170 TYR N N 15 116.424 0.050 . 1 . . . . . 171 TYR N . 53083 1 750 . 1 . 1 171 171 ASN H H 1 8.043 0.005 . 1 . . . . . 172 ASN HN . 53083 1 751 . 1 . 1 171 171 ASN C C 13 171.803 0.050 . 1 . . . . . 172 ASN C . 53083 1 752 . 1 . 1 171 171 ASN CA C 13 51.983 0.050 . 1 . . . . . 172 ASN CA . 53083 1 753 . 1 . 1 171 171 ASN CB C 13 33.590 0.050 . 1 . . . . . 172 ASN CB . 53083 1 754 . 1 . 1 171 171 ASN N N 15 113.033 0.050 . 1 . . . . . 172 ASN N . 53083 1 755 . 1 . 1 172 172 LEU H H 1 8.199 0.005 . 1 . . . . . 173 LEU HN . 53083 1 756 . 1 . 1 172 172 LEU C C 13 172.330 0.050 . 1 . . . . . 173 LEU C . 53083 1 757 . 1 . 1 172 172 LEU CA C 13 51.798 0.050 . 1 . . . . . 173 LEU CA . 53083 1 758 . 1 . 1 172 172 LEU CB C 13 40.330 0.050 . 1 . . . . . 173 LEU CB . 53083 1 759 . 1 . 1 172 172 LEU N N 15 115.643 0.050 . 1 . . . . . 173 LEU N . 53083 1 760 . 1 . 1 173 173 ALA H H 1 7.090 0.005 . 1 . . . . . 174 ALA HN . 53083 1 761 . 1 . 1 173 173 ALA C C 13 173.013 0.050 . 1 . . . . . 174 ALA C . 53083 1 762 . 1 . 1 173 173 ALA CA C 13 47.343 0.050 . 1 . . . . . 174 ALA CA . 53083 1 763 . 1 . 1 173 173 ALA CB C 13 19.095 0.050 . 1 . . . . . 174 ALA CB . 53083 1 764 . 1 . 1 173 173 ALA N N 15 115.151 0.050 . 1 . . . . . 174 ALA N . 53083 1 765 . 1 . 1 174 174 HIS H H 1 9.410 0.005 . 1 . . . . . 175 HIS HN . 53083 1 766 . 1 . 1 174 174 HIS C C 13 171.911 0.050 . 1 . . . . . 175 HIS C . 53083 1 767 . 1 . 1 174 174 HIS CA C 13 55.502 0.050 . 1 . . . . . 175 HIS CA . 53083 1 768 . 1 . 1 174 174 HIS CB C 13 29.843 0.050 . 1 . . . . . 175 HIS CB . 53083 1 769 . 1 . 1 174 174 HIS N N 15 120.801 0.050 . 1 . . . . . 175 HIS N . 53083 1 770 . 1 . 1 175 175 ALA H H 1 7.235 0.005 . 1 . . . . . 176 ALA HN . 53083 1 771 . 1 . 1 175 175 ALA C C 13 172.828 0.050 . 1 . . . . . 176 ALA C . 53083 1 772 . 1 . 1 175 175 ALA CA C 13 47.412 0.050 . 1 . . . . . 176 ALA CA . 53083 1 773 . 1 . 1 175 175 ALA CB C 13 21.461 0.050 . 1 . . . . . 176 ALA CB . 53083 1 774 . 1 . 1 175 175 ALA N N 15 111.677 0.050 . 1 . . . . . 176 ALA N . 53083 1 775 . 1 . 1 176 176 THR H H 1 7.894 0.005 . 1 . . . . . 177 THR HN . 53083 1 776 . 1 . 1 176 176 THR C C 13 170.709 0.050 . 1 . . . . . 177 THR C . 53083 1 777 . 1 . 1 176 176 THR CA C 13 59.194 0.050 . 1 . . . . . 177 THR CA . 53083 1 778 . 1 . 1 176 176 THR CB C 13 67.341 0.050 . 1 . . . . . 177 THR CB . 53083 1 779 . 1 . 1 176 176 THR N N 15 116.620 0.050 . 1 . . . . . 177 THR N . 53083 1 780 . 1 . 1 177 177 ALA H H 1 9.187 0.005 . 1 . . . . . 178 ALA HN . 53083 1 781 . 1 . 1 177 177 ALA C C 13 172.524 0.050 . 1 . . . . . 178 ALA C . 53083 1 782 . 1 . 1 177 177 ALA CA C 13 47.536 0.050 . 1 . . . . . 178 ALA CA . 53083 1 783 . 1 . 1 177 177 ALA CB C 13 17.477 0.050 . 1 . . . . . 178 ALA CB . 53083 1 784 . 1 . 1 177 177 ALA N N 15 130.384 0.050 . 1 . . . . . 178 ALA N . 53083 1 785 . 1 . 1 178 178 THR H H 1 7.981 0.005 . 1 . . . . . 179 THR HN . 53083 1 786 . 1 . 1 178 178 THR C C 13 168.657 0.050 . 1 . . . . . 179 THR C . 53083 1 787 . 1 . 1 178 178 THR CA C 13 57.227 0.050 . 1 . . . . . 179 THR CA . 53083 1 788 . 1 . 1 178 178 THR CB C 13 64.517 0.050 . 1 . . . . . 179 THR CB . 53083 1 789 . 1 . 1 178 178 THR N N 15 119.274 0.050 . 1 . . . . . 179 THR N . 53083 1 790 . 1 . 1 179 179 GLU H H 1 7.585 0.005 . 1 . . . . . 180 GLU HN . 53083 1 791 . 1 . 1 179 179 GLU C C 13 174.457 0.050 . 1 . . . . . 180 GLU C . 53083 1 792 . 1 . 1 179 179 GLU CA C 13 53.172 0.050 . 1 . . . . . 180 GLU CA . 53083 1 793 . 1 . 1 179 179 GLU CB C 13 26.248 0.050 . 1 . . . . . 180 GLU CB . 53083 1 794 . 1 . 1 179 179 GLU N N 15 119.157 0.050 . 1 . . . . . 180 GLU N . 53083 1 795 . 1 . 1 180 180 ASP H H 1 8.150 0.005 . 1 . . . . . 181 ASP HN . 53083 1 796 . 1 . 1 180 180 ASP C C 13 173.497 0.050 . 1 . . . . . 181 ASP C . 53083 1 797 . 1 . 1 180 180 ASP CA C 13 50.958 0.050 . 1 . . . . . 181 ASP CA . 53083 1 798 . 1 . 1 180 180 ASP CB C 13 39.472 0.050 . 1 . . . . . 181 ASP CB . 53083 1 799 . 1 . 1 180 180 ASP N N 15 121.487 0.050 . 1 . . . . . 181 ASP N . 53083 1 800 . 1 . 1 181 181 ALA H H 1 8.839 0.005 . 1 . . . . . 182 ALA HN . 53083 1 801 . 1 . 1 181 181 ALA CA C 13 50.102 0.050 . 1 . . . . . 182 ALA CA . 53083 1 802 . 1 . 1 181 181 ALA CB C 13 16.125 0.050 . 1 . . . . . 182 ALA CB . 53083 1 803 . 1 . 1 181 181 ALA N N 15 122.524 0.050 . 1 . . . . . 182 ALA N . 53083 1 804 . 1 . 1 182 182 ASP C C 13 175.426 0.050 . 1 . . . . . 183 ASP C . 53083 1 805 . 1 . 1 182 182 ASP CA C 13 54.664 0.050 . 1 . . . . . 183 ASP CA . 53083 1 806 . 1 . 1 182 182 ASP CB C 13 36.120 0.050 . 1 . . . . . 183 ASP CB . 53083 1 807 . 1 . 1 183 183 ALA H H 1 8.953 0.005 . 1 . . . . . 184 ALA HN . 53083 1 808 . 1 . 1 183 183 ALA C C 13 177.526 0.050 . 1 . . . . . 184 ALA C . 53083 1 809 . 1 . 1 183 183 ALA CA C 13 52.578 0.050 . 1 . . . . . 184 ALA CA . 53083 1 810 . 1 . 1 183 183 ALA CB C 13 15.421 0.050 . 1 . . . . . 184 ALA CB . 53083 1 811 . 1 . 1 183 183 ALA N N 15 117.553 0.050 . 1 . . . . . 184 ALA N . 53083 1 812 . 1 . 1 184 184 LEU H H 1 8.402 0.005 . 1 . . . . . 185 LEU HN . 53083 1 813 . 1 . 1 184 184 LEU C C 13 175.593 0.050 . 1 . . . . . 185 LEU C . 53083 1 814 . 1 . 1 184 184 LEU CA C 13 55.523 0.050 . 1 . . . . . 185 LEU CA . 53083 1 815 . 1 . 1 184 184 LEU CB C 13 38.860 0.050 . 1 . . . . . 185 LEU CB . 53083 1 816 . 1 . 1 184 184 LEU N N 15 117.175 0.050 . 1 . . . . . 185 LEU N . 53083 1 817 . 1 . 1 185 185 VAL H H 1 7.433 0.005 . 1 . . . . . 186 VAL HN . 53083 1 818 . 1 . 1 185 185 VAL C C 13 174.336 0.050 . 1 . . . . . 186 VAL C . 53083 1 819 . 1 . 1 185 185 VAL CA C 13 61.594 0.050 . 1 . . . . . 186 VAL CA . 53083 1 820 . 1 . 1 185 185 VAL CB C 13 27.797 0.050 . 1 . . . . . 186 VAL CB . 53083 1 821 . 1 . 1 185 185 VAL N N 15 120.057 0.050 . 1 . . . . . 186 VAL N . 53083 1 822 . 1 . 1 186 186 PHE H H 1 7.239 0.005 . 1 . . . . . 187 PHE HN . 53083 1 823 . 1 . 1 186 186 PHE C C 13 172.793 0.050 . 1 . . . . . 187 PHE C . 53083 1 824 . 1 . 1 186 186 PHE CA C 13 56.718 0.050 . 1 . . . . . 187 PHE CA . 53083 1 825 . 1 . 1 186 186 PHE CB C 13 37.446 0.050 . 1 . . . . . 187 PHE CB . 53083 1 826 . 1 . 1 186 186 PHE N N 15 112.723 0.050 . 1 . . . . . 187 PHE N . 53083 1 827 . 1 . 1 187 187 GLY H H 1 7.736 0.005 . 1 . . . . . 188 GLY HN . 53083 1 828 . 1 . 1 187 187 GLY C C 13 171.786 0.050 . 1 . . . . . 188 GLY C . 53083 1 829 . 1 . 1 187 187 GLY CA C 13 42.434 0.050 . 1 . . . . . 188 GLY CA . 53083 1 830 . 1 . 1 187 187 GLY N N 15 104.823 0.050 . 1 . . . . . 188 GLY N . 53083 1 831 . 1 . 1 188 188 THR H H 1 8.041 0.005 . 1 . . . . . 189 THR HN . 53083 1 832 . 1 . 1 188 188 THR C C 13 169.928 0.050 . 1 . . . . . 189 THR C . 53083 1 833 . 1 . 1 188 188 THR CA C 13 58.718 0.050 . 1 . . . . . 189 THR CA . 53083 1 834 . 1 . 1 188 188 THR CB C 13 66.088 0.050 . 1 . . . . . 189 THR CB . 53083 1 835 . 1 . 1 188 188 THR N N 15 116.215 0.050 . 1 . . . . . 189 THR N . 53083 1 836 . 1 . 1 189 189 LYS H H 1 8.157 0.005 . 1 . . . . . 190 LYS HN . 53083 1 837 . 1 . 1 189 189 LYS C C 13 175.883 0.050 . 1 . . . . . 190 LYS C . 53083 1 838 . 1 . 1 189 189 LYS CA C 13 57.063 0.050 . 1 . . . . . 190 LYS CA . 53083 1 839 . 1 . 1 189 189 LYS CB C 13 30.145 0.050 . 1 . . . . . 190 LYS CB . 53083 1 840 . 1 . 1 189 189 LYS N N 15 124.740 0.050 . 1 . . . . . 190 LYS N . 53083 1 841 . 1 . 1 190 190 ILE H H 1 6.813 0.005 . 1 . . . . . 191 ILE HN . 53083 1 842 . 1 . 1 190 190 ILE C C 13 172.454 0.050 . 1 . . . . . 191 ILE C . 53083 1 843 . 1 . 1 190 190 ILE CA C 13 56.422 0.050 . 1 . . . . . 191 ILE CA . 53083 1 844 . 1 . 1 190 190 ILE CB C 13 38.633 0.050 . 1 . . . . . 191 ILE CB . 53083 1 845 . 1 . 1 190 190 ILE N N 15 112.945 0.050 . 1 . . . . . 191 ILE N . 53083 1 846 . 1 . 1 191 191 LEU H H 1 9.471 0.005 . 1 . . . . . 192 LEU HN . 53083 1 847 . 1 . 1 191 191 LEU C C 13 171.639 0.050 . 1 . . . . . 192 LEU C . 53083 1 848 . 1 . 1 191 191 LEU CA C 13 50.227 0.050 . 1 . . . . . 192 LEU CA . 53083 1 849 . 1 . 1 191 191 LEU CB C 13 43.093 0.050 . 1 . . . . . 192 LEU CB . 53083 1 850 . 1 . 1 191 191 LEU N N 15 133.907 0.050 . 1 . . . . . 192 LEU N . 53083 1 851 . 1 . 1 192 192 ILE H H 1 9.446 0.005 . 1 . . . . . 193 ILE HN . 53083 1 852 . 1 . 1 192 192 ILE C C 13 172.757 0.050 . 1 . . . . . 193 ILE C . 53083 1 853 . 1 . 1 192 192 ILE CA C 13 55.569 0.050 . 1 . . . . . 193 ILE CA . 53083 1 854 . 1 . 1 192 192 ILE CB C 13 36.032 0.050 . 1 . . . . . 193 ILE CB . 53083 1 855 . 1 . 1 192 192 ILE N N 15 126.309 0.050 . 1 . . . . . 193 ILE N . 53083 1 856 . 1 . 1 193 193 ARG H H 1 9.210 0.005 . 1 . . . . . 194 ARG HN . 53083 1 857 . 1 . 1 193 193 ARG C C 13 173.278 0.050 . 1 . . . . . 194 ARG C . 53083 1 858 . 1 . 1 193 193 ARG CA C 13 52.078 0.050 . 1 . . . . . 194 ARG CA . 53083 1 859 . 1 . 1 193 193 ARG CB C 13 29.453 0.050 . 1 . . . . . 194 ARG CB . 53083 1 860 . 1 . 1 193 193 ARG N N 15 127.071 0.050 . 1 . . . . . 194 ARG N . 53083 1 861 . 1 . 1 194 194 ASN H H 1 10.190 0.005 . 1 . . . . . 195 ASN HN . 53083 1 862 . 1 . 1 194 194 ASN C C 13 174.046 0.050 . 1 . . . . . 195 ASN C . 53083 1 863 . 1 . 1 194 194 ASN CA C 13 51.395 0.050 . 1 . . . . . 195 ASN CA . 53083 1 864 . 1 . 1 194 194 ASN CB C 13 33.926 0.050 . 1 . . . . . 195 ASN CB . 53083 1 865 . 1 . 1 194 194 ASN N N 15 116.442 0.050 . 1 . . . . . 195 ASN N . 53083 1 866 . 1 . 1 195 195 LEU H H 1 8.966 0.005 . 1 . . . . . 196 LEU HN . 53083 1 867 . 1 . 1 195 195 LEU C C 13 174.999 0.050 . 1 . . . . . 196 LEU C . 53083 1 868 . 1 . 1 195 195 LEU CA C 13 55.001 0.050 . 1 . . . . . 196 LEU CA . 53083 1 869 . 1 . 1 195 195 LEU CB C 13 38.852 0.050 . 1 . . . . . 196 LEU CB . 53083 1 870 . 1 . 1 195 195 LEU N N 15 121.617 0.050 . 1 . . . . . 196 LEU N . 53083 1 871 . 1 . 1 196 196 ASN H H 1 8.503 0.005 . 1 . . . . . 197 ASN HN . 53083 1 872 . 1 . 1 196 196 ASN C C 13 173.175 0.050 . 1 . . . . . 197 ASN C . 53083 1 873 . 1 . 1 196 196 ASN CA C 13 50.899 0.050 . 1 . . . . . 197 ASN CA . 53083 1 874 . 1 . 1 196 196 ASN CB C 13 35.480 0.050 . 1 . . . . . 197 ASN CB . 53083 1 875 . 1 . 1 196 196 ASN N N 15 114.101 0.050 . 1 . . . . . 197 ASN N . 53083 1 876 . 1 . 1 197 197 ALA H H 1 7.507 0.005 . 1 . . . . . 198 ALA HN . 53083 1 877 . 1 . 1 197 197 ALA C C 13 174.863 0.050 . 1 . . . . . 198 ALA C . 53083 1 878 . 1 . 1 197 197 ALA CA C 13 50.130 0.050 . 1 . . . . . 198 ALA CA . 53083 1 879 . 1 . 1 197 197 ALA CB C 13 15.661 0.050 . 1 . . . . . 198 ALA CB . 53083 1 880 . 1 . 1 197 197 ALA N N 15 122.124 0.050 . 1 . . . . . 198 ALA N . 53083 1 881 . 1 . 1 198 198 ASN H H 1 9.306 0.005 . 1 . . . . . 199 ASN HN . 53083 1 882 . 1 . 1 198 198 ASN C C 13 175.374 0.050 . 1 . . . . . 199 ASN C . 53083 1 883 . 1 . 1 198 198 ASN CA C 13 54.703 0.050 . 1 . . . . . 199 ASN CA . 53083 1 884 . 1 . 1 198 198 ASN CB C 13 35.884 0.050 . 1 . . . . . 199 ASN CB . 53083 1 885 . 1 . 1 198 198 ASN N N 15 120.107 0.050 . 1 . . . . . 199 ASN N . 53083 1 886 . 1 . 1 199 199 ALA C C 13 174.706 0.050 . 1 . . . . . 200 ALA C . 53083 1 887 . 1 . 1 199 199 ALA CA C 13 49.556 0.050 . 1 . . . . . 200 ALA CA . 53083 1 888 . 1 . 1 199 199 ALA CB C 13 15.401 0.050 . 1 . . . . . 200 ALA CB . 53083 1 889 . 1 . 1 200 200 THR H H 1 7.990 0.005 . 1 . . . . . 201 THR HN . 53083 1 890 . 1 . 1 200 200 THR C C 13 172.025 0.050 . 1 . . . . . 201 THR C . 53083 1 891 . 1 . 1 200 200 THR CA C 13 58.559 0.050 . 1 . . . . . 201 THR CA . 53083 1 892 . 1 . 1 200 200 THR CB C 13 66.915 0.050 . 1 . . . . . 201 THR CB . 53083 1 893 . 1 . 1 200 200 THR N N 15 112.291 0.050 . 1 . . . . . 201 THR N . 53083 1 894 . 1 . 1 205 205 LYS C C 13 172.774 0.050 . 1 . . . . . 206 LYS C . 53083 1 895 . 1 . 1 205 205 LYS CA C 13 60.086 0.050 . 1 . . . . . 206 LYS CA . 53083 1 896 . 1 . 1 205 205 LYS CB C 13 28.318 0.050 . 1 . . . . . 206 LYS CB . 53083 1 897 . 1 . 1 206 206 ASN H H 1 9.036 0.005 . 1 . . . . . 207 ASN HN . 53083 1 898 . 1 . 1 206 206 ASN C C 13 170.901 0.050 . 1 . . . . . 207 ASN C . 53083 1 899 . 1 . 1 206 206 ASN CA C 13 49.983 0.050 . 1 . . . . . 207 ASN CA . 53083 1 900 . 1 . 1 206 206 ASN CB C 13 34.264 0.050 . 1 . . . . . 207 ASN CB . 53083 1 901 . 1 . 1 206 206 ASN N N 15 119.840 0.050 . 1 . . . . . 207 ASN N . 53083 1 902 . 1 . 1 207 207 LYS H H 1 7.320 0.005 . 1 . . . . . 208 LYS HN . 53083 1 903 . 1 . 1 207 207 LYS C C 13 173.089 0.050 . 1 . . . . . 208 LYS C . 53083 1 904 . 1 . 1 207 207 LYS CA C 13 55.597 0.050 . 1 . . . . . 208 LYS CA . 53083 1 905 . 1 . 1 207 207 LYS CB C 13 32.874 0.050 . 1 . . . . . 208 LYS CB . 53083 1 906 . 1 . 1 207 207 LYS N N 15 116.046 0.050 . 1 . . . . . 208 LYS N . 53083 1 907 . 1 . 1 208 208 ASN H H 1 9.587 0.005 . 1 . . . . . 209 ASN HN . 53083 1 908 . 1 . 1 208 208 ASN C C 13 173.631 0.050 . 1 . . . . . 209 ASN C . 53083 1 909 . 1 . 1 208 208 ASN CA C 13 50.616 0.050 . 1 . . . . . 209 ASN CA . 53083 1 910 . 1 . 1 208 208 ASN CB C 13 38.239 0.050 . 1 . . . . . 209 ASN CB . 53083 1 911 . 1 . 1 208 208 ASN N N 15 124.047 0.050 . 1 . . . . . 209 ASN N . 53083 1 912 . 1 . 1 213 213 GLY C C 13 170.921 0.050 . 1 . . . . . 214 GLY C . 53083 1 913 . 1 . 1 213 213 GLY CA C 13 42.109 0.050 . 1 . . . . . 214 GLY CA . 53083 1 914 . 1 . 1 214 214 TYR H H 1 8.155 0.005 . 1 . . . . . 215 TYR HN . 53083 1 915 . 1 . 1 214 214 TYR C C 13 172.358 0.050 . 1 . . . . . 215 TYR C . 53083 1 916 . 1 . 1 214 214 TYR CA C 13 54.209 0.050 . 1 . . . . . 215 TYR CA . 53083 1 917 . 1 . 1 214 214 TYR CB C 13 34.783 0.050 . 1 . . . . . 215 TYR CB . 53083 1 918 . 1 . 1 214 214 TYR N N 15 120.167 0.050 . 1 . . . . . 215 TYR N . 53083 1 919 . 1 . 1 215 215 ILE H H 1 8.073 0.005 . 1 . . . . . 216 ILE HN . 53083 1 920 . 1 . 1 215 215 ILE C C 13 173.837 0.050 . 1 . . . . . 216 ILE C . 53083 1 921 . 1 . 1 215 215 ILE CA C 13 57.441 0.050 . 1 . . . . . 216 ILE CA . 53083 1 922 . 1 . 1 215 215 ILE CB C 13 35.306 0.050 . 1 . . . . . 216 ILE CB . 53083 1 923 . 1 . 1 215 215 ILE N N 15 122.817 0.050 . 1 . . . . . 216 ILE N . 53083 1 924 . 1 . 1 216 216 LEU H H 1 8.912 0.005 . 1 . . . . . 217 LEU HN . 53083 1 925 . 1 . 1 216 216 LEU C C 13 173.293 0.050 . 1 . . . . . 217 LEU C . 53083 1 926 . 1 . 1 216 216 LEU CA C 13 52.334 0.050 . 1 . . . . . 217 LEU CA . 53083 1 927 . 1 . 1 216 216 LEU CB C 13 38.597 0.050 . 1 . . . . . 217 LEU CB . 53083 1 928 . 1 . 1 216 216 LEU N N 15 131.796 0.050 . 1 . . . . . 217 LEU N . 53083 1 929 . 1 . 1 217 217 THR H H 1 7.993 0.005 . 1 . . . . . 218 THR HN . 53083 1 930 . 1 . 1 217 217 THR C C 13 169.618 0.050 . 1 . . . . . 218 THR C . 53083 1 931 . 1 . 1 217 217 THR CA C 13 58.028 0.050 . 1 . . . . . 218 THR CA . 53083 1 932 . 1 . 1 217 217 THR CB C 13 69.562 0.050 . 1 . . . . . 218 THR CB . 53083 1 933 . 1 . 1 217 217 THR N N 15 117.443 0.050 . 1 . . . . . 218 THR N . 53083 1 934 . 1 . 1 218 218 GLU H H 1 9.445 0.005 . 1 . . . . . 219 GLU HN . 53083 1 935 . 1 . 1 218 218 GLU C C 13 173.093 0.050 . 1 . . . . . 219 GLU C . 53083 1 936 . 1 . 1 218 218 GLU CA C 13 51.581 0.050 . 1 . . . . . 219 GLU CA . 53083 1 937 . 1 . 1 218 218 GLU CB C 13 30.834 0.050 . 1 . . . . . 219 GLU CB . 53083 1 938 . 1 . 1 218 218 GLU N N 15 126.443 0.050 . 1 . . . . . 219 GLU N . 53083 1 939 . 1 . 1 219 219 ILE H H 1 9.592 0.005 . 1 . . . . . 220 ILE HN . 53083 1 940 . 1 . 1 219 219 ILE C C 13 171.697 0.050 . 1 . . . . . 220 ILE C . 53083 1 941 . 1 . 1 219 219 ILE CA C 13 57.596 0.050 . 1 . . . . . 220 ILE CA . 53083 1 942 . 1 . 1 219 219 ILE CB C 13 36.507 0.050 . 1 . . . . . 220 ILE CB . 53083 1 943 . 1 . 1 219 219 ILE N N 15 127.091 0.050 . 1 . . . . . 220 ILE N . 53083 1 944 . 1 . 1 220 220 ASN H H 1 8.197 0.005 . 1 . . . . . 221 ASN HN . 53083 1 945 . 1 . 1 220 220 ASN C C 13 172.332 0.050 . 1 . . . . . 221 ASN C . 53083 1 946 . 1 . 1 220 220 ASN CA C 13 49.633 0.050 . 1 . . . . . 221 ASN CA . 53083 1 947 . 1 . 1 220 220 ASN CB C 13 37.704 0.050 . 1 . . . . . 221 ASN CB . 53083 1 948 . 1 . 1 220 220 ASN N N 15 128.141 0.050 . 1 . . . . . 221 ASN N . 53083 1 949 . 1 . 1 221 221 LEU H H 1 8.021 0.005 . 1 . . . . . 222 LEU HN . 53083 1 950 . 1 . 1 221 221 LEU C C 13 174.583 0.050 . 1 . . . . . 222 LEU C . 53083 1 951 . 1 . 1 221 221 LEU CA C 13 56.154 0.050 . 1 . . . . . 222 LEU CA . 53083 1 952 . 1 . 1 221 221 LEU CB C 13 37.685 0.050 . 1 . . . . . 222 LEU CB . 53083 1 953 . 1 . 1 221 221 LEU N N 15 128.625 0.050 . 1 . . . . . 222 LEU N . 53083 1 954 . 1 . 1 222 222 GLU H H 1 8.748 0.005 . 1 . . . . . 223 GLU HN . 53083 1 955 . 1 . 1 222 222 GLU C C 13 177.329 0.050 . 1 . . . . . 223 GLU C . 53083 1 956 . 1 . 1 222 222 GLU CA C 13 57.065 0.050 . 1 . . . . . 223 GLU CA . 53083 1 957 . 1 . 1 222 222 GLU CB C 13 25.397 0.050 . 1 . . . . . 223 GLU CB . 53083 1 958 . 1 . 1 222 222 GLU N N 15 120.506 0.050 . 1 . . . . . 223 GLU N . 53083 1 959 . 1 . 1 223 223 GLN H H 1 8.252 0.005 . 1 . . . . . 224 GLN HN . 53083 1 960 . 1 . 1 223 223 GLN C C 13 177.273 0.050 . 1 . . . . . 224 GLN C . 53083 1 961 . 1 . 1 223 223 GLN CA C 13 54.932 0.050 . 1 . . . . . 224 GLN CA . 53083 1 962 . 1 . 1 223 223 GLN CB C 13 25.123 0.050 . 1 . . . . . 224 GLN CB . 53083 1 963 . 1 . 1 223 223 GLN N N 15 116.169 0.050 . 1 . . . . . 224 GLN N . 53083 1 964 . 1 . 1 224 224 VAL H H 1 8.428 0.005 . 1 . . . . . 225 VAL HN . 53083 1 965 . 1 . 1 224 224 VAL C C 13 174.257 0.050 . 1 . . . . . 225 VAL C . 53083 1 966 . 1 . 1 224 224 VAL CA C 13 64.204 0.050 . 1 . . . . . 225 VAL CA . 53083 1 967 . 1 . 1 224 224 VAL CB C 13 27.421 0.050 . 1 . . . . . 225 VAL CB . 53083 1 968 . 1 . 1 224 224 VAL N N 15 126.807 0.050 . 1 . . . . . 225 VAL N . 53083 1 969 . 1 . 1 225 225 LEU H H 1 8.122 0.005 . 1 . . . . . 226 LEU HN . 53083 1 970 . 1 . 1 225 225 LEU C C 13 177.736 0.050 . 1 . . . . . 226 LEU C . 53083 1 971 . 1 . 1 225 225 LEU CA C 13 55.497 0.050 . 1 . . . . . 226 LEU CA . 53083 1 972 . 1 . 1 225 225 LEU CB C 13 35.708 0.050 . 1 . . . . . 226 LEU CB . 53083 1 973 . 1 . 1 225 225 LEU N N 15 118.304 0.050 . 1 . . . . . 226 LEU N . 53083 1 974 . 1 . 1 226 226 LYS H H 1 8.187 0.005 . 1 . . . . . 227 LYS HN . 53083 1 975 . 1 . 1 226 226 LYS C C 13 177.701 0.050 . 1 . . . . . 227 LYS C . 53083 1 976 . 1 . 1 226 226 LYS CA C 13 55.880 0.050 . 1 . . . . . 227 LYS CA . 53083 1 977 . 1 . 1 226 226 LYS CB C 13 29.271 0.050 . 1 . . . . . 227 LYS CB . 53083 1 978 . 1 . 1 226 226 LYS N N 15 117.578 0.050 . 1 . . . . . 227 LYS N . 53083 1 979 . 1 . 1 227 227 GLY H H 1 8.422 0.005 . 1 . . . . . 228 GLY HN . 53083 1 980 . 1 . 1 227 227 GLY C C 13 172.722 0.050 . 1 . . . . . 228 GLY C . 53083 1 981 . 1 . 1 227 227 GLY CA C 13 43.692 0.050 . 1 . . . . . 228 GLY CA . 53083 1 982 . 1 . 1 227 227 GLY N N 15 108.151 0.050 . 1 . . . . . 228 GLY N . 53083 1 983 . 1 . 1 228 228 LEU H H 1 8.265 0.005 . 1 . . . . . 229 LEU HN . 53083 1 984 . 1 . 1 228 228 LEU C C 13 175.061 0.050 . 1 . . . . . 229 LEU C . 53083 1 985 . 1 . 1 228 228 LEU CA C 13 51.389 0.050 . 1 . . . . . 229 LEU CA . 53083 1 986 . 1 . 1 228 228 LEU CB C 13 38.356 0.050 . 1 . . . . . 229 LEU CB . 53083 1 987 . 1 . 1 228 228 LEU N N 15 116.286 0.050 . 1 . . . . . 229 LEU N . 53083 1 988 . 1 . 1 229 229 ASN H H 1 8.107 0.005 . 1 . . . . . 230 ASN HN . 53083 1 989 . 1 . 1 229 229 ASN C C 13 170.617 0.050 . 1 . . . . . 230 ASN C . 53083 1 990 . 1 . 1 229 229 ASN CA C 13 50.950 0.050 . 1 . . . . . 230 ASN CA . 53083 1 991 . 1 . 1 229 229 ASN CB C 13 33.831 0.050 . 1 . . . . . 230 ASN CB . 53083 1 992 . 1 . 1 229 229 ASN N N 15 121.534 0.050 . 1 . . . . . 230 ASN N . 53083 1 993 . 1 . 1 230 230 LEU H H 1 8.028 0.005 . 1 . . . . . 231 LEU HN . 53083 1 994 . 1 . 1 230 230 LEU C C 13 175.043 0.050 . 1 . . . . . 231 LEU C . 53083 1 995 . 1 . 1 230 230 LEU CA C 13 50.029 0.050 . 1 . . . . . 231 LEU CA . 53083 1 996 . 1 . 1 230 230 LEU CB C 13 42.852 0.050 . 1 . . . . . 231 LEU CB . 53083 1 997 . 1 . 1 230 230 LEU N N 15 116.967 0.050 . 1 . . . . . 231 LEU N . 53083 1 998 . 1 . 1 231 231 THR H H 1 8.934 0.005 . 1 . . . . . 232 THR HN . 53083 1 999 . 1 . 1 231 231 THR C C 13 173.456 0.050 . 1 . . . . . 232 THR C . 53083 1 1000 . 1 . 1 231 231 THR CA C 13 57.635 0.050 . 1 . . . . . 232 THR CA . 53083 1 1001 . 1 . 1 231 231 THR CB C 13 67.885 0.050 . 1 . . . . . 232 THR CB . 53083 1 1002 . 1 . 1 231 231 THR N N 15 111.704 0.050 . 1 . . . . . 232 THR N . 53083 1 1003 . 1 . 1 232 232 MET H H 1 9.214 0.005 . 1 . . . . . 233 MET HN . 53083 1 1004 . 1 . 1 232 232 MET C C 13 175.227 0.050 . 1 . . . . . 233 MET C . 53083 1 1005 . 1 . 1 232 232 MET CA C 13 55.007 0.050 . 1 . . . . . 233 MET CA . 53083 1 1006 . 1 . 1 232 232 MET CB C 13 27.536 0.050 . 1 . . . . . 233 MET CB . 53083 1 1007 . 1 . 1 232 232 MET N N 15 121.364 0.050 . 1 . . . . . 233 MET N . 53083 1 1008 . 1 . 1 233 233 ASP H H 1 8.243 0.005 . 1 . . . . . 234 ASP HN . 53083 1 1009 . 1 . 1 233 233 ASP C C 13 176.948 0.050 . 1 . . . . . 234 ASP C . 53083 1 1010 . 1 . 1 233 233 ASP CA C 13 55.120 0.050 . 1 . . . . . 234 ASP CA . 53083 1 1011 . 1 . 1 233 233 ASP CB C 13 37.328 0.050 . 1 . . . . . 234 ASP CB . 53083 1 1012 . 1 . 1 233 233 ASP N N 15 116.439 0.050 . 1 . . . . . 234 ASP N . 53083 1 1013 . 1 . 1 234 234 GLU H H 1 7.753 0.005 . 1 . . . . . 235 GLU HN . 53083 1 1014 . 1 . 1 234 234 GLU C C 13 175.838 0.050 . 1 . . . . . 235 GLU C . 53083 1 1015 . 1 . 1 234 234 GLU CA C 13 56.101 0.050 . 1 . . . . . 235 GLU CA . 53083 1 1016 . 1 . 1 234 234 GLU CB C 13 27.738 0.050 . 1 . . . . . 235 GLU CB . 53083 1 1017 . 1 . 1 234 234 GLU N N 15 121.092 0.050 . 1 . . . . . 235 GLU N . 53083 1 1018 . 1 . 1 235 235 PHE H H 1 8.986 0.005 . 1 . . . . . 236 PHE HN . 53083 1 1019 . 1 . 1 235 235 PHE C C 13 174.810 0.050 . 1 . . . . . 236 PHE C . 53083 1 1020 . 1 . 1 235 235 PHE CA C 13 58.072 0.050 . 1 . . . . . 236 PHE CA . 53083 1 1021 . 1 . 1 235 235 PHE CB C 13 35.963 0.050 . 1 . . . . . 236 PHE CB . 53083 1 1022 . 1 . 1 235 235 PHE N N 15 120.683 0.050 . 1 . . . . . 236 PHE N . 53083 1 1023 . 1 . 1 236 236 ILE H H 1 8.789 0.005 . 1 . . . . . 237 ILE HN . 53083 1 1024 . 1 . 1 236 236 ILE C C 13 174.706 0.050 . 1 . . . . . 237 ILE C . 53083 1 1025 . 1 . 1 236 236 ILE CA C 13 63.636 0.050 . 1 . . . . . 237 ILE CA . 53083 1 1026 . 1 . 1 236 236 ILE CB C 13 34.458 0.050 . 1 . . . . . 237 ILE CB . 53083 1 1027 . 1 . 1 236 236 ILE N N 15 122.279 0.050 . 1 . . . . . 237 ILE N . 53083 1 1028 . 1 . 1 237 237 ASP H H 1 7.482 0.005 . 1 . . . . . 238 ASP HN . 53083 1 1029 . 1 . 1 237 237 ASP C C 13 175.871 0.050 . 1 . . . . . 238 ASP C . 53083 1 1030 . 1 . 1 237 237 ASP CA C 13 54.751 0.050 . 1 . . . . . 238 ASP CA . 53083 1 1031 . 1 . 1 237 237 ASP CB C 13 38.075 0.050 . 1 . . . . . 238 ASP CB . 53083 1 1032 . 1 . 1 237 237 ASP N N 15 120.534 0.050 . 1 . . . . . 238 ASP N . 53083 1 1033 . 1 . 1 238 238 PHE H H 1 8.839 0.005 . 1 . . . . . 239 PHE HN . 53083 1 1034 . 1 . 1 238 238 PHE C C 13 173.851 0.050 . 1 . . . . . 239 PHE C . 53083 1 1035 . 1 . 1 238 238 PHE CA C 13 57.476 0.050 . 1 . . . . . 239 PHE CA . 53083 1 1036 . 1 . 1 238 238 PHE CB C 13 34.969 0.050 . 1 . . . . . 239 PHE CB . 53083 1 1037 . 1 . 1 238 238 PHE N N 15 121.130 0.050 . 1 . . . . . 239 PHE N . 53083 1 1038 . 1 . 1 241 241 LEU C C 13 176.827 0.050 . 1 . . . . . 242 LEU C . 53083 1 1039 . 1 . 1 241 241 LEU CA C 13 53.487 0.050 . 1 . . . . . 242 LEU CA . 53083 1 1040 . 1 . 1 241 241 LEU CB C 13 38.848 0.050 . 1 . . . . . 242 LEU CB . 53083 1 1041 . 1 . 1 242 242 CYS H H 1 7.748 0.005 . 1 . . . . . 243 CYS HN . 53083 1 1042 . 1 . 1 242 242 CYS C C 13 172.849 0.050 . 1 . . . . . 243 CYS C . 53083 1 1043 . 1 . 1 242 242 CYS CA C 13 61.409 0.050 . 1 . . . . . 243 CYS CA . 53083 1 1044 . 1 . 1 242 242 CYS CB C 13 23.576 0.050 . 1 . . . . . 243 CYS CB . 53083 1 1045 . 1 . 1 242 242 CYS N N 15 116.686 0.050 . 1 . . . . . 243 CYS N . 53083 1 1046 . 1 . 1 243 243 GLY H H 1 7.120 0.005 . 1 . . . . . 244 GLY HN . 53083 1 1047 . 1 . 1 243 243 GLY C C 13 168.938 0.050 . 1 . . . . . 244 GLY C . 53083 1 1048 . 1 . 1 243 243 GLY CA C 13 42.593 0.050 . 1 . . . . . 244 GLY CA . 53083 1 1049 . 1 . 1 243 243 GLY N N 15 107.091 0.050 . 1 . . . . . 244 GLY N . 53083 1 1050 . 1 . 1 244 244 CYS H H 1 9.898 0.005 . 1 . . . . . 245 CYS HN . 53083 1 1051 . 1 . 1 244 244 CYS C C 13 171.403 0.050 . 1 . . . . . 245 CYS C . 53083 1 1052 . 1 . 1 244 244 CYS CA C 13 51.978 0.050 . 1 . . . . . 245 CYS CA . 53083 1 1053 . 1 . 1 244 244 CYS CB C 13 29.116 0.050 . 1 . . . . . 245 CYS CB . 53083 1 1054 . 1 . 1 244 244 CYS N N 15 127.580 0.050 . 1 . . . . . 245 CYS N . 53083 1 1055 . 1 . 1 245 245 ASP H H 1 9.155 0.005 . 1 . . . . . 246 ASP HN . 53083 1 1056 . 1 . 1 245 245 ASP C C 13 174.192 0.050 . 1 . . . . . 246 ASP C . 53083 1 1057 . 1 . 1 245 245 ASP CA C 13 53.026 0.050 . 1 . . . . . 246 ASP CA . 53083 1 1058 . 1 . 1 245 245 ASP CB C 13 37.364 0.050 . 1 . . . . . 246 ASP CB . 53083 1 1059 . 1 . 1 245 245 ASP N N 15 117.362 0.050 . 1 . . . . . 246 ASP N . 53083 1 1060 . 1 . 1 246 246 TYR H H 1 7.768 0.005 . 1 . . . . . 247 TYR HN . 53083 1 1061 . 1 . 1 246 246 TYR C C 13 172.363 0.050 . 1 . . . . . 247 TYR C . 53083 1 1062 . 1 . 1 246 246 TYR CA C 13 55.209 0.050 . 1 . . . . . 247 TYR CA . 53083 1 1063 . 1 . 1 246 246 TYR CB C 13 36.691 0.050 . 1 . . . . . 247 TYR CB . 53083 1 1064 . 1 . 1 246 246 TYR N N 15 116.184 0.050 . 1 . . . . . 247 TYR N . 53083 1 1065 . 1 . 1 247 247 CYS H H 1 7.493 0.005 . 1 . . . . . 248 CYS HN . 53083 1 1066 . 1 . 1 247 247 CYS C C 13 169.851 0.050 . 1 . . . . . 248 CYS C . 53083 1 1067 . 1 . 1 247 247 CYS CA C 13 53.734 0.050 . 1 . . . . . 248 CYS CA . 53083 1 1068 . 1 . 1 247 247 CYS CB C 13 27.017 0.050 . 1 . . . . . 248 CYS CB . 53083 1 1069 . 1 . 1 247 247 CYS N N 15 113.521 0.050 . 1 . . . . . 248 CYS N . 53083 1 1070 . 1 . 1 248 248 ASP H H 1 8.489 0.005 . 1 . . . . . 249 ASP HN . 53083 1 1071 . 1 . 1 248 248 ASP C C 13 171.651 0.050 . 1 . . . . . 249 ASP C . 53083 1 1072 . 1 . 1 248 248 ASP CA C 13 51.232 0.050 . 1 . . . . . 249 ASP CA . 53083 1 1073 . 1 . 1 248 248 ASP CB C 13 38.813 0.050 . 1 . . . . . 249 ASP CB . 53083 1 1074 . 1 . 1 248 248 ASP N N 15 122.463 0.050 . 1 . . . . . 249 ASP N . 53083 1 1075 . 1 . 1 249 249 THR H H 1 8.350 0.005 . 1 . . . . . 250 THR HN . 53083 1 1076 . 1 . 1 249 249 THR C C 13 171.406 0.050 . 1 . . . . . 250 THR C . 53083 1 1077 . 1 . 1 249 249 THR CA C 13 55.923 0.050 . 1 . . . . . 250 THR CA . 53083 1 1078 . 1 . 1 249 249 THR CB C 13 67.271 0.050 . 1 . . . . . 250 THR CB . 53083 1 1079 . 1 . 1 249 249 THR N N 15 109.385 0.050 . 1 . . . . . 250 THR N . 53083 1 1080 . 1 . 1 250 250 ILE H H 1 8.462 0.005 . 1 . . . . . 251 ILE HN . 53083 1 1081 . 1 . 1 250 250 ILE C C 13 173.758 0.050 . 1 . . . . . 251 ILE C . 53083 1 1082 . 1 . 1 250 250 ILE CA C 13 58.654 0.050 . 1 . . . . . 251 ILE CA . 53083 1 1083 . 1 . 1 250 250 ILE CB C 13 34.908 0.050 . 1 . . . . . 251 ILE CB . 53083 1 1084 . 1 . 1 250 250 ILE N N 15 122.112 0.050 . 1 . . . . . 251 ILE N . 53083 1 1085 . 1 . 1 251 251 LYS H H 1 8.446 0.005 . 1 . . . . . 252 LYS HN . 53083 1 1086 . 1 . 1 251 251 LYS C C 13 174.806 0.050 . 1 . . . . . 252 LYS C . 53083 1 1087 . 1 . 1 251 251 LYS CA C 13 54.665 0.050 . 1 . . . . . 252 LYS CA . 53083 1 1088 . 1 . 1 251 251 LYS CB C 13 28.823 0.050 . 1 . . . . . 252 LYS CB . 53083 1 1089 . 1 . 1 251 251 LYS N N 15 130.075 0.050 . 1 . . . . . 252 LYS N . 53083 1 1090 . 1 . 1 252 252 GLY H H 1 8.706 0.005 . 1 . . . . . 253 GLY HN . 53083 1 1091 . 1 . 1 252 252 GLY C C 13 172.114 0.050 . 1 . . . . . 253 GLY C . 53083 1 1092 . 1 . 1 252 252 GLY CA C 13 42.319 0.050 . 1 . . . . . 253 GLY CA . 53083 1 1093 . 1 . 1 252 252 GLY N N 15 110.603 0.050 . 1 . . . . . 253 GLY N . 53083 1 1094 . 1 . 1 253 253 ILE H H 1 7.444 0.005 . 1 . . . . . 254 ILE HN . 53083 1 1095 . 1 . 1 253 253 ILE C C 13 172.560 0.050 . 1 . . . . . 254 ILE C . 53083 1 1096 . 1 . 1 253 253 ILE CA C 13 58.322 0.050 . 1 . . . . . 254 ILE CA . 53083 1 1097 . 1 . 1 253 253 ILE CB C 13 34.939 0.050 . 1 . . . . . 254 ILE CB . 53083 1 1098 . 1 . 1 253 253 ILE N N 15 119.848 0.050 . 1 . . . . . 254 ILE N . 53083 1 1099 . 1 . 1 254 254 GLY H H 1 7.935 0.005 . 1 . . . . . 255 GLY HN . 53083 1 1100 . 1 . 1 254 254 GLY C C 13 171.385 0.050 . 1 . . . . . 255 GLY C . 53083 1 1101 . 1 . 1 254 254 GLY CA C 13 40.956 0.050 . 1 . . . . . 255 GLY CA . 53083 1 1102 . 1 . 1 254 254 GLY N N 15 114.572 0.050 . 1 . . . . . 255 GLY N . 53083 1 1103 . 1 . 1 255 255 SER H H 1 8.519 0.005 . 1 . . . . . 256 SER HN . 53083 1 1104 . 1 . 1 255 255 SER CA C 13 58.857 0.050 . 1 . . . . . 256 SER CA . 53083 1 1105 . 1 . 1 255 255 SER CB C 13 63.697 0.050 . 1 . . . . . 256 SER CB . 53083 1 1106 . 1 . 1 255 255 SER N N 15 115.536 0.050 . 1 . . . . . 256 SER N . 53083 1 1107 . 1 . 1 256 256 LYS C C 13 176.503 0.050 . 1 . . . . . 257 LYS C . 53083 1 1108 . 1 . 1 256 256 LYS CA C 13 57.284 0.050 . 1 . . . . . 257 LYS CA . 53083 1 1109 . 1 . 1 256 256 LYS CB C 13 28.319 0.050 . 1 . . . . . 257 LYS CB . 53083 1 1110 . 1 . 1 257 257 THR H H 1 8.028 0.005 . 1 . . . . . 258 THR HN . 53083 1 1111 . 1 . 1 257 257 THR C C 13 173.584 0.050 . 1 . . . . . 258 THR C . 53083 1 1112 . 1 . 1 257 257 THR CA C 13 63.231 0.050 . 1 . . . . . 258 THR CA . 53083 1 1113 . 1 . 1 257 257 THR CB C 13 65.378 0.050 . 1 . . . . . 258 THR CB . 53083 1 1114 . 1 . 1 257 257 THR N N 15 116.963 0.050 . 1 . . . . . 258 THR N . 53083 1 1115 . 1 . 1 258 258 ALA H H 1 8.762 0.005 . 1 . . . . . 259 ALA HN . 53083 1 1116 . 1 . 1 258 258 ALA C C 13 175.770 0.050 . 1 . . . . . 259 ALA C . 53083 1 1117 . 1 . 1 258 258 ALA CA C 13 52.812 0.050 . 1 . . . . . 259 ALA CA . 53083 1 1118 . 1 . 1 258 258 ALA CB C 13 15.259 0.050 . 1 . . . . . 259 ALA CB . 53083 1 1119 . 1 . 1 258 258 ALA N N 15 123.735 0.050 . 1 . . . . . 259 ALA N . 53083 1 1120 . 1 . 1 259 259 TYR H H 1 8.368 0.005 . 1 . . . . . 260 TYR HN . 53083 1 1121 . 1 . 1 259 259 TYR C C 13 173.983 0.050 . 1 . . . . . 260 TYR C . 53083 1 1122 . 1 . 1 259 259 TYR CA C 13 58.009 0.050 . 1 . . . . . 260 TYR CA . 53083 1 1123 . 1 . 1 259 259 TYR CB C 13 34.688 0.050 . 1 . . . . . 260 TYR CB . 53083 1 1124 . 1 . 1 259 259 TYR N N 15 117.985 0.050 . 1 . . . . . 260 TYR N . 53083 1 1125 . 1 . 1 260 260 ASN H H 1 8.120 0.005 . 1 . . . . . 261 ASN HN . 53083 1 1126 . 1 . 1 260 260 ASN C C 13 176.529 0.050 . 1 . . . . . 261 ASN C . 53083 1 1127 . 1 . 1 260 260 ASN CA C 13 53.227 0.050 . 1 . . . . . 261 ASN CA . 53083 1 1128 . 1 . 1 260 260 ASN CB C 13 34.652 0.050 . 1 . . . . . 261 ASN CB . 53083 1 1129 . 1 . 1 260 260 ASN N N 15 117.886 0.050 . 1 . . . . . 261 ASN N . 53083 1 1130 . 1 . 1 261 261 LEU H H 1 8.604 0.005 . 1 . . . . . 262 LEU HN . 53083 1 1131 . 1 . 1 261 261 LEU C C 13 176.487 0.050 . 1 . . . . . 262 LEU C . 53083 1 1132 . 1 . 1 261 261 LEU CA C 13 54.913 0.050 . 1 . . . . . 262 LEU CA . 53083 1 1133 . 1 . 1 261 261 LEU CB C 13 38.272 0.050 . 1 . . . . . 262 LEU CB . 53083 1 1134 . 1 . 1 261 261 LEU N N 15 121.022 0.050 . 1 . . . . . 262 LEU N . 53083 1 1135 . 1 . 1 262 262 ILE H H 1 8.247 0.005 . 1 . . . . . 263 ILE HN . 53083 1 1136 . 1 . 1 262 262 ILE C C 13 176.202 0.050 . 1 . . . . . 263 ILE C . 53083 1 1137 . 1 . 1 262 262 ILE CA C 13 57.986 0.050 . 1 . . . . . 263 ILE CA . 53083 1 1138 . 1 . 1 262 262 ILE CB C 13 31.962 0.050 . 1 . . . . . 263 ILE CB . 53083 1 1139 . 1 . 1 262 262 ILE N N 15 122.513 0.050 . 1 . . . . . 263 ILE N . 53083 1 1140 . 1 . 1 263 263 LYS H H 1 8.320 0.005 . 1 . . . . . 264 LYS HN . 53083 1 1141 . 1 . 1 263 263 LYS C C 13 175.527 0.050 . 1 . . . . . 264 LYS C . 53083 1 1142 . 1 . 1 263 263 LYS CA C 13 54.432 0.050 . 1 . . . . . 264 LYS CA . 53083 1 1143 . 1 . 1 263 263 LYS CB C 13 26.619 0.050 . 1 . . . . . 264 LYS CB . 53083 1 1144 . 1 . 1 263 263 LYS N N 15 121.135 0.050 . 1 . . . . . 264 LYS N . 53083 1 1145 . 1 . 1 264 264 GLU H H 1 7.427 0.005 . 1 . . . . . 265 GLU HN . 53083 1 1146 . 1 . 1 264 264 GLU C C 13 175.259 0.050 . 1 . . . . . 265 GLU C . 53083 1 1147 . 1 . 1 264 264 GLU CA C 13 55.373 0.050 . 1 . . . . . 265 GLU CA . 53083 1 1148 . 1 . 1 264 264 GLU CB C 13 27.122 0.050 . 1 . . . . . 265 GLU CB . 53083 1 1149 . 1 . 1 264 264 GLU N N 15 117.247 0.050 . 1 . . . . . 265 GLU N . 53083 1 1150 . 1 . 1 265 265 TYR H H 1 8.277 0.005 . 1 . . . . . 266 TYR HN . 53083 1 1151 . 1 . 1 265 265 TYR C C 13 175.343 0.050 . 1 . . . . . 266 TYR C . 53083 1 1152 . 1 . 1 265 265 TYR CA C 13 55.957 0.050 . 1 . . . . . 266 TYR CA . 53083 1 1153 . 1 . 1 265 265 TYR CB C 13 36.960 0.050 . 1 . . . . . 266 TYR CB . 53083 1 1154 . 1 . 1 265 265 TYR N N 15 114.506 0.050 . 1 . . . . . 266 TYR N . 53083 1 1155 . 1 . 1 266 266 ASN H H 1 8.563 0.005 . 1 . . . . . 267 ASN HN . 53083 1 1156 . 1 . 1 266 266 ASN C C 13 171.481 0.050 . 1 . . . . . 267 ASN C . 53083 1 1157 . 1 . 1 266 266 ASN CA C 13 56.279 0.050 . 1 . . . . . 267 ASN CA . 53083 1 1158 . 1 . 1 266 266 ASN CB C 13 35.871 0.050 . 1 . . . . . 267 ASN CB . 53083 1 1159 . 1 . 1 266 266 ASN N N 15 115.876 0.050 . 1 . . . . . 267 ASN N . 53083 1 1160 . 1 . 1 267 267 CYS H H 1 8.519 0.005 . 1 . . . . . 268 CYS HN . 53083 1 1161 . 1 . 1 267 267 CYS C C 13 172.404 0.050 . 1 . . . . . 268 CYS C . 53083 1 1162 . 1 . 1 267 267 CYS CA C 13 51.681 0.050 . 1 . . . . . 268 CYS CA . 53083 1 1163 . 1 . 1 267 267 CYS CB C 13 29.445 0.050 . 1 . . . . . 268 CYS CB . 53083 1 1164 . 1 . 1 267 267 CYS N N 15 112.770 0.050 . 1 . . . . . 268 CYS N . 53083 1 1165 . 1 . 1 268 268 ILE H H 1 8.322 0.005 . 1 . . . . . 269 ILE HN . 53083 1 1166 . 1 . 1 268 268 ILE C C 13 173.353 0.050 . 1 . . . . . 269 ILE C . 53083 1 1167 . 1 . 1 268 268 ILE CA C 13 63.115 0.050 . 1 . . . . . 269 ILE CA . 53083 1 1168 . 1 . 1 268 268 ILE CB C 13 34.483 0.050 . 1 . . . . . 269 ILE CB . 53083 1 1169 . 1 . 1 268 268 ILE N N 15 121.194 0.050 . 1 . . . . . 269 ILE N . 53083 1 1170 . 1 . 1 269 269 GLU H H 1 10.473 0.005 . 1 . . . . . 270 GLU HN . 53083 1 1171 . 1 . 1 269 269 GLU C C 13 176.884 0.050 . 1 . . . . . 270 GLU C . 53083 1 1172 . 1 . 1 269 269 GLU CA C 13 59.575 0.050 . 1 . . . . . 270 GLU CA . 53083 1 1173 . 1 . 1 269 269 GLU CB C 13 25.210 0.050 . 1 . . . . . 270 GLU CB . 53083 1 1174 . 1 . 1 269 269 GLU N N 15 119.931 0.050 . 1 . . . . . 270 GLU N . 53083 1 1175 . 1 . 1 270 270 LYS H H 1 7.290 0.005 . 1 . . . . . 271 LYS HN . 53083 1 1176 . 1 . 1 270 270 LYS C C 13 176.553 0.050 . 1 . . . . . 271 LYS C . 53083 1 1177 . 1 . 1 270 270 LYS CA C 13 54.906 0.050 . 1 . . . . . 271 LYS CA . 53083 1 1178 . 1 . 1 270 270 LYS CB C 13 28.989 0.050 . 1 . . . . . 271 LYS CB . 53083 1 1179 . 1 . 1 270 270 LYS N N 15 117.490 0.050 . 1 . . . . . 271 LYS N . 53083 1 1180 . 1 . 1 271 271 ILE H H 1 7.751 0.005 . 1 . . . . . 272 ILE HN . 53083 1 1181 . 1 . 1 271 271 ILE C C 13 175.509 0.050 . 1 . . . . . 272 ILE C . 53083 1 1182 . 1 . 1 271 271 ILE CA C 13 63.123 0.050 . 1 . . . . . 272 ILE CA . 53083 1 1183 . 1 . 1 271 271 ILE CB C 13 34.288 0.050 . 1 . . . . . 272 ILE CB . 53083 1 1184 . 1 . 1 271 271 ILE N N 15 122.538 0.050 . 1 . . . . . 272 ILE N . 53083 1 1185 . 1 . 1 272 272 ILE H H 1 8.390 0.005 . 1 . . . . . 273 ILE HN . 53083 1 1186 . 1 . 1 272 272 ILE C C 13 174.970 0.050 . 1 . . . . . 273 ILE C . 53083 1 1187 . 1 . 1 272 272 ILE CA C 13 62.343 0.050 . 1 . . . . . 273 ILE CA . 53083 1 1188 . 1 . 1 272 272 ILE CB C 13 34.057 0.050 . 1 . . . . . 273 ILE CB . 53083 1 1189 . 1 . 1 272 272 ILE N N 15 116.971 0.050 . 1 . . . . . 273 ILE N . 53083 1 1190 . 1 . 1 273 273 GLU H H 1 7.112 0.005 . 1 . . . . . 274 GLU HN . 53083 1 1191 . 1 . 1 273 273 GLU C C 13 174.264 0.050 . 1 . . . . . 274 GLU C . 53083 1 1192 . 1 . 1 273 273 GLU CA C 13 55.233 0.050 . 1 . . . . . 274 GLU CA . 53083 1 1193 . 1 . 1 273 273 GLU CB C 13 27.148 0.050 . 1 . . . . . 274 GLU CB . 53083 1 1194 . 1 . 1 273 273 GLU N N 15 116.749 0.050 . 1 . . . . . 274 GLU N . 53083 1 1195 . 1 . 1 274 274 ASN H H 1 7.204 0.005 . 1 . . . . . 275 ASN HN . 53083 1 1196 . 1 . 1 274 274 ASN C C 13 172.231 0.050 . 1 . . . . . 275 ASN C . 53083 1 1197 . 1 . 1 274 274 ASN CA C 13 51.310 0.050 . 1 . . . . . 275 ASN CA . 53083 1 1198 . 1 . 1 274 274 ASN CB C 13 38.706 0.050 . 1 . . . . . 275 ASN CB . 53083 1 1199 . 1 . 1 274 274 ASN N N 15 114.787 0.050 . 1 . . . . . 275 ASN N . 53083 1 1200 . 1 . 1 275 275 ILE H H 1 7.639 0.005 . 1 . . . . . 276 ILE HN . 53083 1 1201 . 1 . 1 275 275 ILE C C 13 171.875 0.050 . 1 . . . . . 276 ILE C . 53083 1 1202 . 1 . 1 275 275 ILE CA C 13 58.649 0.050 . 1 . . . . . 276 ILE CA . 53083 1 1203 . 1 . 1 275 275 ILE CB C 13 35.901 0.050 . 1 . . . . . 276 ILE CB . 53083 1 1204 . 1 . 1 275 275 ILE N N 15 119.376 0.050 . 1 . . . . . 276 ILE N . 53083 1 1205 . 1 . 1 276 276 ASP H H 1 8.420 0.005 . 1 . . . . . 277 ASP HN . 53083 1 1206 . 1 . 1 276 276 ASP C C 13 174.709 0.050 . 1 . . . . . 277 ASP C . 53083 1 1207 . 1 . 1 276 276 ASP CA C 13 50.678 0.050 . 1 . . . . . 277 ASP CA . 53083 1 1208 . 1 . 1 276 276 ASP CB C 13 37.320 0.050 . 1 . . . . . 277 ASP CB . 53083 1 1209 . 1 . 1 276 276 ASP N N 15 123.055 0.050 . 1 . . . . . 277 ASP N . 53083 1 1210 . 1 . 1 277 277 GLN H H 1 8.922 0.005 . 1 . . . . . 278 GLN HN . 53083 1 1211 . 1 . 1 277 277 GLN C C 13 174.269 0.050 . 1 . . . . . 278 GLN C . 53083 1 1212 . 1 . 1 277 277 GLN CA C 13 54.590 0.050 . 1 . . . . . 278 GLN CA . 53083 1 1213 . 1 . 1 277 277 GLN CB C 13 24.696 0.050 . 1 . . . . . 278 GLN CB . 53083 1 1214 . 1 . 1 277 277 GLN N N 15 127.641 0.050 . 1 . . . . . 278 GLN N . 53083 1 1215 . 1 . 1 278 278 ASN H H 1 8.701 0.005 . 1 . . . . . 279 ASN HN . 53083 1 1216 . 1 . 1 278 278 ASN C C 13 173.374 0.050 . 1 . . . . . 279 ASN C . 53083 1 1217 . 1 . 1 278 278 ASN CA C 13 51.878 0.050 . 1 . . . . . 279 ASN CA . 53083 1 1218 . 1 . 1 278 278 ASN CB C 13 35.498 0.050 . 1 . . . . . 279 ASN CB . 53083 1 1219 . 1 . 1 278 278 ASN N N 15 116.697 0.050 . 1 . . . . . 279 ASN N . 53083 1 1220 . 1 . 1 279 279 LYS H H 1 7.421 0.005 . 1 . . . . . 280 LYS HN . 53083 1 1221 . 1 . 1 279 279 LYS C C 13 173.121 0.050 . 1 . . . . . 280 LYS C . 53083 1 1222 . 1 . 1 279 279 LYS CA C 13 54.236 0.050 . 1 . . . . . 280 LYS CA . 53083 1 1223 . 1 . 1 279 279 LYS CB C 13 30.875 0.050 . 1 . . . . . 280 LYS CB . 53083 1 1224 . 1 . 1 279 279 LYS N N 15 119.675 0.050 . 1 . . . . . 280 LYS N . 53083 1 1225 . 1 . 1 280 280 TYR H H 1 7.939 0.005 . 1 . . . . . 281 TYR HN . 53083 1 1226 . 1 . 1 280 280 TYR C C 13 171.214 0.050 . 1 . . . . . 281 TYR C . 53083 1 1227 . 1 . 1 280 280 TYR CA C 13 52.535 0.050 . 1 . . . . . 281 TYR CA . 53083 1 1228 . 1 . 1 280 280 TYR CB C 13 36.516 0.050 . 1 . . . . . 281 TYR CB . 53083 1 1229 . 1 . 1 280 280 TYR N N 15 119.488 0.050 . 1 . . . . . 281 TYR N . 53083 1 1230 . 1 . 1 281 281 GLN H H 1 7.826 0.005 . 1 . . . . . 282 GLN HN . 53083 1 1231 . 1 . 1 281 281 GLN C C 13 172.827 0.050 . 1 . . . . . 282 GLN C . 53083 1 1232 . 1 . 1 281 281 GLN CA C 13 52.408 0.050 . 1 . . . . . 282 GLN CA . 53083 1 1233 . 1 . 1 281 281 GLN CB C 13 26.217 0.050 . 1 . . . . . 282 GLN CB . 53083 1 1234 . 1 . 1 281 281 GLN N N 15 119.080 0.050 . 1 . . . . . 282 GLN N . 53083 1 1235 . 1 . 1 282 282 VAL H H 1 8.912 0.005 . 1 . . . . . 283 VAL HN . 53083 1 1236 . 1 . 1 282 282 VAL C C 13 171.839 0.050 . 1 . . . . . 283 VAL C . 53083 1 1237 . 1 . 1 282 282 VAL CA C 13 57.104 0.050 . 1 . . . . . 283 VAL CA . 53083 1 1238 . 1 . 1 282 282 VAL CB C 13 28.968 0.050 . 1 . . . . . 283 VAL CB . 53083 1 1239 . 1 . 1 282 282 VAL N N 15 130.208 0.050 . 1 . . . . . 283 VAL N . 53083 1 1240 . 1 . 1 286 286 PHE C C 13 173.436 0.050 . 1 . . . . . 287 PHE C . 53083 1 1241 . 1 . 1 287 287 ARG H H 1 8.671 0.005 . 1 . . . . . 288 ARG HN . 53083 1 1242 . 1 . 1 287 287 ARG C C 13 174.365 0.050 . 1 . . . . . 288 ARG C . 53083 1 1243 . 1 . 1 287 287 ARG CA C 13 53.069 0.050 . 1 . . . . . 288 ARG CA . 53083 1 1244 . 1 . 1 287 287 ARG CB C 13 24.412 0.050 . 1 . . . . . 288 ARG CB . 53083 1 1245 . 1 . 1 287 287 ARG N N 15 130.156 0.050 . 1 . . . . . 288 ARG N . 53083 1 1246 . 1 . 1 288 288 PHE H H 1 7.279 0.005 . 1 . . . . . 289 PHE HN . 53083 1 1247 . 1 . 1 288 288 PHE C C 13 174.565 0.050 . 1 . . . . . 289 PHE C . 53083 1 1248 . 1 . 1 288 288 PHE CA C 13 56.518 0.050 . 1 . . . . . 289 PHE CA . 53083 1 1249 . 1 . 1 288 288 PHE CB C 13 34.920 0.050 . 1 . . . . . 289 PHE CB . 53083 1 1250 . 1 . 1 288 288 PHE N N 15 118.546 0.050 . 1 . . . . . 289 PHE N . 53083 1 1251 . 1 . 1 289 289 GLN H H 1 8.163 0.005 . 1 . . . . . 290 GLN HN . 53083 1 1252 . 1 . 1 289 289 GLN C C 13 176.722 0.050 . 1 . . . . . 290 GLN C . 53083 1 1253 . 1 . 1 289 289 GLN CA C 13 56.641 0.050 . 1 . . . . . 290 GLN CA . 53083 1 1254 . 1 . 1 289 289 GLN CB C 13 23.596 0.050 . 1 . . . . . 290 GLN CB . 53083 1 1255 . 1 . 1 289 289 GLN N N 15 123.929 0.050 . 1 . . . . . 290 GLN N . 53083 1 1256 . 1 . 1 290 290 GLU H H 1 8.325 0.005 . 1 . . . . . 291 GLU HN . 53083 1 1257 . 1 . 1 290 290 GLU C C 13 176.611 0.050 . 1 . . . . . 291 GLU C . 53083 1 1258 . 1 . 1 290 290 GLU CA C 13 56.435 0.050 . 1 . . . . . 291 GLU CA . 53083 1 1259 . 1 . 1 290 290 GLU CB C 13 25.208 0.050 . 1 . . . . . 291 GLU CB . 53083 1 1260 . 1 . 1 290 290 GLU N N 15 121.398 0.050 . 1 . . . . . 291 GLU N . 53083 1 1261 . 1 . 1 291 291 ALA H H 1 7.644 0.005 . 1 . . . . . 292 ALA HN . 53083 1 1262 . 1 . 1 291 291 ALA C C 13 175.392 0.050 . 1 . . . . . 292 ALA C . 53083 1 1263 . 1 . 1 291 291 ALA CA C 13 52.157 0.050 . 1 . . . . . 292 ALA CA . 53083 1 1264 . 1 . 1 291 291 ALA CB C 13 15.617 0.050 . 1 . . . . . 292 ALA CB . 53083 1 1265 . 1 . 1 291 291 ALA N N 15 123.072 0.050 . 1 . . . . . 292 ALA N . 53083 1 1266 . 1 . 1 292 292 ARG H H 1 8.311 0.005 . 1 . . . . . 293 ARG HN . 53083 1 1267 . 1 . 1 292 292 ARG C C 13 175.746 0.050 . 1 . . . . . 293 ARG C . 53083 1 1268 . 1 . 1 292 292 ARG CA C 13 57.650 0.050 . 1 . . . . . 293 ARG CA . 53083 1 1269 . 1 . 1 292 292 ARG CB C 13 27.983 0.050 . 1 . . . . . 293 ARG CB . 53083 1 1270 . 1 . 1 292 292 ARG N N 15 117.031 0.050 . 1 . . . . . 293 ARG N . 53083 1 1271 . 1 . 1 293 293 LYS H H 1 7.437 0.005 . 1 . . . . . 294 LYS HN . 53083 1 1272 . 1 . 1 293 293 LYS C C 13 176.045 0.050 . 1 . . . . . 294 LYS C . 53083 1 1273 . 1 . 1 293 293 LYS CA C 13 56.678 0.050 . 1 . . . . . 294 LYS CA . 53083 1 1274 . 1 . 1 293 293 LYS CB C 13 28.534 0.050 . 1 . . . . . 294 LYS CB . 53083 1 1275 . 1 . 1 293 293 LYS N N 15 117.118 0.050 . 1 . . . . . 294 LYS N . 53083 1 1276 . 1 . 1 294 294 SER H H 1 7.721 0.005 . 1 . . . . . 295 SER HN . 53083 1 1277 . 1 . 1 294 294 SER C C 13 176.217 0.050 . 1 . . . . . 295 SER C . 53083 1 1278 . 1 . 1 294 294 SER CA C 13 56.688 0.050 . 1 . . . . . 295 SER CA . 53083 1 1279 . 1 . 1 294 294 SER N N 15 115.862 0.050 . 1 . . . . . 295 SER N . 53083 1 1280 . 1 . 1 298 298 PRO C C 13 172.625 0.050 . 1 . . . . . 299 PRO C . 53083 1 1281 . 1 . 1 298 298 PRO CA C 13 59.228 0.050 . 1 . . . . . 299 PRO CA . 53083 1 1282 . 1 . 1 299 299 ASN H H 1 7.386 0.005 . 1 . . . . . 300 ASN HN . 53083 1 1283 . 1 . 1 299 299 ASN C C 13 175.778 0.050 . 1 . . . . . 300 ASN C . 53083 1 1284 . 1 . 1 299 299 ASN CA C 13 57.117 0.050 . 1 . . . . . 300 ASN CA . 53083 1 1285 . 1 . 1 299 299 ASN CB C 13 36.364 0.050 . 1 . . . . . 300 ASN CB . 53083 1 1286 . 1 . 1 299 299 ASN N N 15 116.904 0.050 . 1 . . . . . 300 ASN N . 53083 1 1287 . 1 . 1 300 300 VAL H H 1 8.620 0.005 . 1 . . . . . 301 VAL HN . 53083 1 1288 . 1 . 1 300 300 VAL C C 13 173.813 0.050 . 1 . . . . . 301 VAL C . 53083 1 1289 . 1 . 1 300 300 VAL CA C 13 61.014 0.050 . 1 . . . . . 301 VAL CA . 53083 1 1290 . 1 . 1 300 300 VAL CB C 13 35.939 0.050 . 1 . . . . . 301 VAL CB . 53083 1 1291 . 1 . 1 300 300 VAL N N 15 119.715 0.050 . 1 . . . . . 301 VAL N . 53083 1 1292 . 1 . 1 301 301 LEU H H 1 8.605 0.005 . 1 . . . . . 302 LEU HN . 53083 1 1293 . 1 . 1 301 301 LEU C C 13 168.959 0.050 . 1 . . . . . 302 LEU C . 53083 1 1294 . 1 . 1 301 301 LEU CA C 13 48.110 0.050 . 1 . . . . . 302 LEU CA . 53083 1 1295 . 1 . 1 301 301 LEU CB C 13 37.080 0.050 . 1 . . . . . 302 LEU CB . 53083 1 1296 . 1 . 1 301 301 LEU N N 15 118.090 0.050 . 1 . . . . . 302 LEU N . 53083 1 1297 . 1 . 1 302 302 PRO C C 13 173.873 0.050 . 1 . . . . . 303 PRO C . 53083 1 1298 . 1 . 1 302 302 PRO CA C 13 59.149 0.050 . 1 . . . . . 303 PRO CA . 53083 1 1299 . 1 . 1 302 302 PRO CB C 13 28.946 0.050 . 1 . . . . . 303 PRO CB . 53083 1 1300 . 1 . 1 303 303 LYS H H 1 8.220 0.005 . 1 . . . . . 304 LYS HN . 53083 1 1301 . 1 . 1 303 303 LYS C C 13 175.940 0.050 . 1 . . . . . 304 LYS C . 53083 1 1302 . 1 . 1 303 303 LYS CA C 13 57.491 0.050 . 1 . . . . . 304 LYS CA . 53083 1 1303 . 1 . 1 303 303 LYS CB C 13 28.803 0.050 . 1 . . . . . 304 LYS CB . 53083 1 1304 . 1 . 1 303 303 LYS N N 15 123.462 0.050 . 1 . . . . . 304 LYS N . 53083 1 1305 . 1 . 1 304 304 GLU H H 1 9.186 0.005 . 1 . . . . . 305 GLU HN . 53083 1 1306 . 1 . 1 304 304 GLU C C 13 174.128 0.050 . 1 . . . . . 305 GLU C . 53083 1 1307 . 1 . 1 304 304 GLU CA C 13 55.806 0.050 . 1 . . . . . 305 GLU CA . 53083 1 1308 . 1 . 1 304 304 GLU CB C 13 24.997 0.050 . 1 . . . . . 305 GLU CB . 53083 1 1309 . 1 . 1 304 304 GLU N N 15 115.251 0.050 . 1 . . . . . 305 GLU N . 53083 1 1310 . 1 . 1 305 305 ASP H H 1 7.563 0.005 . 1 . . . . . 306 ASP HN . 53083 1 1311 . 1 . 1 305 305 ASP C C 13 172.999 0.050 . 1 . . . . . 306 ASP C . 53083 1 1312 . 1 . 1 305 305 ASP CA C 13 51.368 0.050 . 1 . . . . . 306 ASP CA . 53083 1 1313 . 1 . 1 305 305 ASP CB C 13 38.800 0.050 . 1 . . . . . 306 ASP CB . 53083 1 1314 . 1 . 1 305 305 ASP N N 15 118.650 0.050 . 1 . . . . . 306 ASP N . 53083 1 1315 . 1 . 1 306 306 ILE H H 1 7.366 0.005 . 1 . . . . . 307 ILE HN . 53083 1 1316 . 1 . 1 306 306 ILE C C 13 172.165 0.050 . 1 . . . . . 307 ILE C . 53083 1 1317 . 1 . 1 306 306 ILE CA C 13 57.918 0.050 . 1 . . . . . 307 ILE CA . 53083 1 1318 . 1 . 1 306 306 ILE CB C 13 34.076 0.050 . 1 . . . . . 307 ILE CB . 53083 1 1319 . 1 . 1 306 306 ILE N N 15 121.410 0.050 . 1 . . . . . 307 ILE N . 53083 1 1320 . 1 . 1 307 307 LYS H H 1 8.639 0.005 . 1 . . . . . 308 LYS HN . 53083 1 1321 . 1 . 1 307 307 LYS C C 13 172.370 0.050 . 1 . . . . . 308 LYS C . 53083 1 1322 . 1 . 1 307 307 LYS CA C 13 52.236 0.050 . 1 . . . . . 308 LYS CA . 53083 1 1323 . 1 . 1 307 307 LYS CB C 13 29.938 0.050 . 1 . . . . . 308 LYS CB . 53083 1 1324 . 1 . 1 307 307 LYS N N 15 131.189 0.050 . 1 . . . . . 308 LYS N . 53083 1 1325 . 1 . 1 308 308 ILE H H 1 8.566 0.005 . 1 . . . . . 309 ILE HN . 53083 1 1326 . 1 . 1 308 308 ILE C C 13 171.125 0.050 . 1 . . . . . 309 ILE C . 53083 1 1327 . 1 . 1 308 308 ILE CA C 13 57.166 0.050 . 1 . . . . . 309 ILE CA . 53083 1 1328 . 1 . 1 308 308 ILE CB C 13 36.194 0.050 . 1 . . . . . 309 ILE CB . 53083 1 1329 . 1 . 1 308 308 ILE N N 15 124.574 0.050 . 1 . . . . . 309 ILE N . 53083 1 1330 . 1 . 1 309 309 ASP H H 1 7.827 0.005 . 1 . . . . . 310 ASP HN . 53083 1 1331 . 1 . 1 309 309 ASP C C 13 171.090 0.050 . 1 . . . . . 310 ASP C . 53083 1 1332 . 1 . 1 309 309 ASP CA C 13 50.286 0.050 . 1 . . . . . 310 ASP CA . 53083 1 1333 . 1 . 1 309 309 ASP CB C 13 40.512 0.050 . 1 . . . . . 310 ASP CB . 53083 1 1334 . 1 . 1 309 309 ASP N N 15 124.905 0.050 . 1 . . . . . 310 ASP N . 53083 1 1335 . 1 . 1 310 310 TRP H H 1 8.814 0.005 . 1 . . . . . 311 TRP HN . 53083 1 1336 . 1 . 1 310 310 TRP C C 13 173.291 0.050 . 1 . . . . . 311 TRP C . 53083 1 1337 . 1 . 1 310 310 TRP CA C 13 55.595 0.050 . 1 . . . . . 311 TRP CA . 53083 1 1338 . 1 . 1 310 310 TRP CB C 13 25.826 0.050 . 1 . . . . . 311 TRP CB . 53083 1 1339 . 1 . 1 310 310 TRP N N 15 124.326 0.050 . 1 . . . . . 311 TRP N . 53083 1 1340 . 1 . 1 311 311 ASN H H 1 8.723 0.005 . 1 . . . . . 312 ASN HN . 53083 1 1341 . 1 . 1 311 311 ASN C C 13 172.137 0.050 . 1 . . . . . 312 ASN C . 53083 1 1342 . 1 . 1 311 311 ASN CA C 13 49.124 0.050 . 1 . . . . . 312 ASN CA . 53083 1 1343 . 1 . 1 311 311 ASN CB C 13 38.919 0.050 . 1 . . . . . 312 ASN CB . 53083 1 1344 . 1 . 1 311 311 ASN N N 15 123.162 0.050 . 1 . . . . . 312 ASN N . 53083 1 1345 . 1 . 1 312 312 GLU H H 1 8.678 0.005 . 1 . . . . . 313 GLU HN . 53083 1 1346 . 1 . 1 312 312 GLU C C 13 172.486 0.050 . 1 . . . . . 313 GLU C . 53083 1 1347 . 1 . 1 312 312 GLU CA C 13 51.730 0.050 . 1 . . . . . 313 GLU CA . 53083 1 1348 . 1 . 1 312 312 GLU CB C 13 25.619 0.050 . 1 . . . . . 313 GLU CB . 53083 1 1349 . 1 . 1 312 312 GLU N N 15 119.574 0.050 . 1 . . . . . 313 GLU N . 53083 1 1350 . 1 . 1 313 313 PRO C C 13 173.597 0.050 . 1 . . . . . 314 PRO C . 53083 1 1351 . 1 . 1 313 313 PRO CA C 13 59.529 0.050 . 1 . . . . . 314 PRO CA . 53083 1 1352 . 1 . 1 313 313 PRO CB C 13 28.863 0.050 . 1 . . . . . 314 PRO CB . 53083 1 1353 . 1 . 1 314 314 GLN H H 1 8.830 0.005 . 1 . . . . . 315 GLN HN . 53083 1 1354 . 1 . 1 314 314 GLN C C 13 173.166 0.050 . 1 . . . . . 315 GLN C . 53083 1 1355 . 1 . 1 314 314 GLN CA C 13 51.300 0.050 . 1 . . . . . 315 GLN CA . 53083 1 1356 . 1 . 1 314 314 GLN CB C 13 24.372 0.050 . 1 . . . . . 315 GLN CB . 53083 1 1357 . 1 . 1 314 314 GLN N N 15 124.654 0.050 . 1 . . . . . 315 GLN N . 53083 1 1358 . 1 . 1 315 315 ILE H H 1 7.732 0.005 . 1 . . . . . 316 ILE HN . 53083 1 1359 . 1 . 1 315 315 ILE C C 13 174.861 0.050 . 1 . . . . . 316 ILE C . 53083 1 1360 . 1 . 1 315 315 ILE CA C 13 62.773 0.050 . 1 . . . . . 316 ILE CA . 53083 1 1361 . 1 . 1 315 315 ILE CB C 13 33.527 0.050 . 1 . . . . . 316 ILE CB . 53083 1 1362 . 1 . 1 315 315 ILE N N 15 120.618 0.050 . 1 . . . . . 316 ILE N . 53083 1 1363 . 1 . 1 316 316 GLU H H 1 8.794 0.005 . 1 . . . . . 317 GLU HN . 53083 1 1364 . 1 . 1 316 316 GLU C C 13 177.228 0.050 . 1 . . . . . 317 GLU C . 53083 1 1365 . 1 . 1 316 316 GLU CA C 13 56.858 0.050 . 1 . . . . . 317 GLU CA . 53083 1 1366 . 1 . 1 316 316 GLU CB C 13 24.990 0.050 . 1 . . . . . 317 GLU CB . 53083 1 1367 . 1 . 1 316 316 GLU N N 15 119.767 0.050 . 1 . . . . . 317 GLU N . 53083 1 1368 . 1 . 1 317 317 GLU H H 1 8.820 0.005 . 1 . . . . . 318 GLU HN . 53083 1 1369 . 1 . 1 317 317 GLU C C 13 177.006 0.050 . 1 . . . . . 318 GLU C . 53083 1 1370 . 1 . 1 317 317 GLU CA C 13 56.884 0.050 . 1 . . . . . 318 GLU CA . 53083 1 1371 . 1 . 1 317 317 GLU CB C 13 25.895 0.050 . 1 . . . . . 318 GLU CB . 53083 1 1372 . 1 . 1 317 317 GLU N N 15 121.130 0.050 . 1 . . . . . 318 GLU N . 53083 1 1373 . 1 . 1 318 318 LEU H H 1 8.924 0.005 . 1 . . . . . 319 LEU HN . 53083 1 1374 . 1 . 1 318 318 LEU C C 13 175.344 0.050 . 1 . . . . . 319 LEU C . 53083 1 1375 . 1 . 1 318 318 LEU CA C 13 55.052 0.050 . 1 . . . . . 319 LEU CA . 53083 1 1376 . 1 . 1 318 318 LEU CB C 13 38.377 0.050 . 1 . . . . . 319 LEU CB . 53083 1 1377 . 1 . 1 318 318 LEU N N 15 123.094 0.050 . 1 . . . . . 319 LEU N . 53083 1 1378 . 1 . 1 319 319 LYS H H 1 8.476 0.005 . 1 . . . . . 320 LYS HN . 53083 1 1379 . 1 . 1 319 319 LYS C C 13 175.188 0.050 . 1 . . . . . 320 LYS C . 53083 1 1380 . 1 . 1 319 319 LYS CA C 13 58.041 0.050 . 1 . . . . . 320 LYS CA . 53083 1 1381 . 1 . 1 319 319 LYS CB C 13 28.820 0.050 . 1 . . . . . 320 LYS CB . 53083 1 1382 . 1 . 1 319 319 LYS N N 15 118.583 0.050 . 1 . . . . . 320 LYS N . 53083 1 1383 . 1 . 1 320 320 HIS H H 1 8.006 0.005 . 1 . . . . . 321 HIS HN . 53083 1 1384 . 1 . 1 320 320 HIS C C 13 174.548 0.050 . 1 . . . . . 321 HIS C . 53083 1 1385 . 1 . 1 320 320 HIS CA C 13 57.477 0.050 . 1 . . . . . 321 HIS CA . 53083 1 1386 . 1 . 1 320 320 HIS CB C 13 27.398 0.050 . 1 . . . . . 321 HIS CB . 53083 1 1387 . 1 . 1 320 320 HIS N N 15 117.735 0.050 . 1 . . . . . 321 HIS N . 53083 1 1388 . 1 . 1 321 321 PHE H H 1 8.429 0.005 . 1 . . . . . 322 PHE HN . 53083 1 1389 . 1 . 1 321 321 PHE C C 13 174.128 0.050 . 1 . . . . . 322 PHE C . 53083 1 1390 . 1 . 1 321 321 PHE CA C 13 57.060 0.050 . 1 . . . . . 322 PHE CA . 53083 1 1391 . 1 . 1 321 321 PHE CB C 13 37.011 0.050 . 1 . . . . . 322 PHE CB . 53083 1 1392 . 1 . 1 321 321 PHE N N 15 120.217 0.050 . 1 . . . . . 322 PHE N . 53083 1 1393 . 1 . 1 322 322 LEU H H 1 8.282 0.005 . 1 . . . . . 323 LEU HN . 53083 1 1394 . 1 . 1 322 322 LEU C C 13 175.847 0.050 . 1 . . . . . 323 LEU C . 53083 1 1395 . 1 . 1 322 322 LEU CA C 13 54.566 0.050 . 1 . . . . . 323 LEU CA . 53083 1 1396 . 1 . 1 322 322 LEU CB C 13 39.405 0.050 . 1 . . . . . 323 LEU CB . 53083 1 1397 . 1 . 1 322 322 LEU N N 15 115.191 0.050 . 1 . . . . . 323 LEU N . 53083 1 1398 . 1 . 1 323 323 ILE H H 1 8.667 0.005 . 1 . . . . . 324 ILE HN . 53083 1 1399 . 1 . 1 323 323 ILE C C 13 175.702 0.050 . 1 . . . . . 324 ILE C . 53083 1 1400 . 1 . 1 323 323 ILE CA C 13 61.568 0.050 . 1 . . . . . 324 ILE CA . 53083 1 1401 . 1 . 1 323 323 ILE CB C 13 35.321 0.050 . 1 . . . . . 324 ILE CB . 53083 1 1402 . 1 . 1 323 323 ILE N N 15 117.538 0.050 . 1 . . . . . 324 ILE N . 53083 1 1403 . 1 . 1 324 324 LYS H H 1 8.341 0.005 . 1 . . . . . 325 LYS HN . 53083 1 1404 . 1 . 1 324 324 LYS C C 13 175.915 0.050 . 1 . . . . . 325 LYS C . 53083 1 1405 . 1 . 1 324 324 LYS CA C 13 54.678 0.050 . 1 . . . . . 325 LYS CA . 53083 1 1406 . 1 . 1 324 324 LYS CB C 13 27.416 0.050 . 1 . . . . . 325 LYS CB . 53083 1 1407 . 1 . 1 324 324 LYS N N 15 118.565 0.050 . 1 . . . . . 325 LYS N . 53083 1 1408 . 1 . 1 325 325 ASP H H 1 7.565 0.005 . 1 . . . . . 326 ASP HN . 53083 1 1409 . 1 . 1 325 325 ASP C C 13 175.702 0.050 . 1 . . . . . 326 ASP C . 53083 1 1410 . 1 . 1 325 325 ASP CA C 13 54.022 0.050 . 1 . . . . . 326 ASP CA . 53083 1 1411 . 1 . 1 325 325 ASP CB C 13 36.518 0.050 . 1 . . . . . 326 ASP CB . 53083 1 1412 . 1 . 1 325 325 ASP N N 15 117.424 0.050 . 1 . . . . . 326 ASP N . 53083 1 1413 . 1 . 1 326 326 TYR H H 1 6.645 0.005 . 1 . . . . . 327 TYR HN . 53083 1 1414 . 1 . 1 326 326 TYR C C 13 172.055 0.050 . 1 . . . . . 327 TYR C . 53083 1 1415 . 1 . 1 326 326 TYR CA C 13 56.477 0.050 . 1 . . . . . 327 TYR CA . 53083 1 1416 . 1 . 1 326 326 TYR CB C 13 35.807 0.050 . 1 . . . . . 327 TYR CB . 53083 1 1417 . 1 . 1 326 326 TYR N N 15 113.700 0.050 . 1 . . . . . 327 TYR N . 53083 1 1418 . 1 . 1 327 327 ASN H H 1 7.028 0.005 . 1 . . . . . 328 ASN HN . 53083 1 1419 . 1 . 1 327 327 ASN C C 13 172.698 0.050 . 1 . . . . . 328 ASN C . 53083 1 1420 . 1 . 1 327 327 ASN CA C 13 51.624 0.050 . 1 . . . . . 328 ASN CA . 53083 1 1421 . 1 . 1 327 327 ASN CB C 13 34.570 0.050 . 1 . . . . . 328 ASN CB . 53083 1 1422 . 1 . 1 327 327 ASN N N 15 114.308 0.050 . 1 . . . . . 328 ASN N . 53083 1 1423 . 1 . 1 328 328 PHE H H 1 8.622 0.005 . 1 . . . . . 329 PHE HN . 53083 1 1424 . 1 . 1 328 328 PHE C C 13 173.445 0.050 . 1 . . . . . 329 PHE C . 53083 1 1425 . 1 . 1 328 328 PHE CA C 13 54.553 0.050 . 1 . . . . . 329 PHE CA . 53083 1 1426 . 1 . 1 328 328 PHE CB C 13 35.922 0.050 . 1 . . . . . 329 PHE CB . 53083 1 1427 . 1 . 1 328 328 PHE N N 15 118.714 0.050 . 1 . . . . . 329 PHE N . 53083 1 1428 . 1 . 1 329 329 ASN H H 1 8.634 0.005 . 1 . . . . . 330 ASN HN . 53083 1 1429 . 1 . 1 329 329 ASN C C 13 173.468 0.050 . 1 . . . . . 330 ASN C . 53083 1 1430 . 1 . 1 329 329 ASN CA C 13 51.092 0.050 . 1 . . . . . 330 ASN CA . 53083 1 1431 . 1 . 1 329 329 ASN CB C 13 37.375 0.050 . 1 . . . . . 330 ASN CB . 53083 1 1432 . 1 . 1 329 329 ASN N N 15 119.451 0.050 . 1 . . . . . 330 ASN N . 53083 1 1433 . 1 . 1 330 330 GLU H H 1 9.199 0.005 . 1 . . . . . 331 GLU HN . 53083 1 1434 . 1 . 1 330 330 GLU C C 13 175.404 0.050 . 1 . . . . . 331 GLU C . 53083 1 1435 . 1 . 1 330 330 GLU CA C 13 57.564 0.050 . 1 . . . . . 331 GLU CA . 53083 1 1436 . 1 . 1 330 330 GLU CB C 13 26.173 0.050 . 1 . . . . . 331 GLU CB . 53083 1 1437 . 1 . 1 330 330 GLU N N 15 126.360 0.050 . 1 . . . . . 331 GLU N . 53083 1 1438 . 1 . 1 331 331 LEU H H 1 8.085 0.005 . 1 . . . . . 332 LEU HN . 53083 1 1439 . 1 . 1 331 331 LEU C C 13 176.860 0.050 . 1 . . . . . 332 LEU C . 53083 1 1440 . 1 . 1 331 331 LEU CA C 13 55.250 0.050 . 1 . . . . . 332 LEU CA . 53083 1 1441 . 1 . 1 331 331 LEU CB C 13 37.564 0.050 . 1 . . . . . 332 LEU CB . 53083 1 1442 . 1 . 1 331 331 LEU N N 15 122.197 0.050 . 1 . . . . . 332 LEU N . 53083 1 1443 . 1 . 1 332 332 ARG H H 1 7.982 0.005 . 1 . . . . . 333 ARG HN . 53083 1 1444 . 1 . 1 332 332 ARG C C 13 177.024 0.050 . 1 . . . . . 333 ARG C . 53083 1 1445 . 1 . 1 332 332 ARG CA C 13 55.860 0.050 . 1 . . . . . 333 ARG CA . 53083 1 1446 . 1 . 1 332 332 ARG CB C 13 26.532 0.050 . 1 . . . . . 333 ARG CB . 53083 1 1447 . 1 . 1 332 332 ARG N N 15 119.940 0.050 . 1 . . . . . 333 ARG N . 53083 1 1448 . 1 . 1 333 333 VAL H H 1 8.375 0.005 . 1 . . . . . 334 VAL HN . 53083 1 1449 . 1 . 1 333 333 VAL C C 13 174.673 0.050 . 1 . . . . . 334 VAL C . 53083 1 1450 . 1 . 1 333 333 VAL CA C 13 64.754 0.050 . 1 . . . . . 334 VAL CA . 53083 1 1451 . 1 . 1 333 333 VAL CB C 13 28.224 0.050 . 1 . . . . . 334 VAL CB . 53083 1 1452 . 1 . 1 333 333 VAL N N 15 119.395 0.050 . 1 . . . . . 334 VAL N . 53083 1 1453 . 1 . 1 334 334 THR H H 1 8.731 0.005 . 1 . . . . . 335 THR HN . 53083 1 1454 . 1 . 1 334 334 THR C C 13 173.392 0.050 . 1 . . . . . 335 THR C . 53083 1 1455 . 1 . 1 334 334 THR CA C 13 64.410 0.050 . 1 . . . . . 335 THR CA . 53083 1 1456 . 1 . 1 334 334 THR CB C 13 65.564 0.050 . 1 . . . . . 335 THR CB . 53083 1 1457 . 1 . 1 334 334 THR N N 15 118.083 0.050 . 1 . . . . . 335 THR N . 53083 1 1458 . 1 . 1 335 335 ASN H H 1 8.089 0.005 . 1 . . . . . 336 ASN HN . 53083 1 1459 . 1 . 1 335 335 ASN C C 13 175.771 0.050 . 1 . . . . . 336 ASN C . 53083 1 1460 . 1 . 1 335 335 ASN CA C 13 53.653 0.050 . 1 . . . . . 336 ASN CA . 53083 1 1461 . 1 . 1 335 335 ASN CB C 13 34.962 0.050 . 1 . . . . . 336 ASN CB . 53083 1 1462 . 1 . 1 335 335 ASN N N 15 120.007 0.050 . 1 . . . . . 336 ASN N . 53083 1 1463 . 1 . 1 336 336 TYR H H 1 8.192 0.005 . 1 . . . . . 337 TYR HN . 53083 1 1464 . 1 . 1 336 336 TYR C C 13 175.519 0.050 . 1 . . . . . 337 TYR C . 53083 1 1465 . 1 . 1 336 336 TYR CA C 13 58.851 0.050 . 1 . . . . . 337 TYR CA . 53083 1 1466 . 1 . 1 336 336 TYR CB C 13 34.717 0.050 . 1 . . . . . 337 TYR CB . 53083 1 1467 . 1 . 1 336 336 TYR N N 15 120.405 0.050 . 1 . . . . . 337 TYR N . 53083 1 1468 . 1 . 1 337 337 ILE H H 1 8.864 0.005 . 1 . . . . . 338 ILE HN . 53083 1 1469 . 1 . 1 337 337 ILE C C 13 175.037 0.050 . 1 . . . . . 338 ILE C . 53083 1 1470 . 1 . 1 337 337 ILE CA C 13 62.497 0.050 . 1 . . . . . 338 ILE CA . 53083 1 1471 . 1 . 1 337 337 ILE CB C 13 33.361 0.050 . 1 . . . . . 338 ILE CB . 53083 1 1472 . 1 . 1 337 337 ILE N N 15 120.010 0.050 . 1 . . . . . 338 ILE N . 53083 1 1473 . 1 . 1 338 338 ASN H H 1 8.542 0.005 . 1 . . . . . 339 ASN HN . 53083 1 1474 . 1 . 1 338 338 ASN C C 13 176.457 0.050 . 1 . . . . . 339 ASN C . 53083 1 1475 . 1 . 1 338 338 ASN CA C 13 53.379 0.050 . 1 . . . . . 339 ASN CA . 53083 1 1476 . 1 . 1 338 338 ASN CB C 13 34.364 0.050 . 1 . . . . . 339 ASN CB . 53083 1 1477 . 1 . 1 338 338 ASN N N 15 118.754 0.050 . 1 . . . . . 339 ASN N . 53083 1 1478 . 1 . 1 339 339 ARG H H 1 7.997 0.005 . 1 . . . . . 340 ARG HN . 53083 1 1479 . 1 . 1 339 339 ARG C C 13 176.947 0.050 . 1 . . . . . 340 ARG C . 53083 1 1480 . 1 . 1 339 339 ARG CA C 13 56.478 0.050 . 1 . . . . . 340 ARG CA . 53083 1 1481 . 1 . 1 339 339 ARG CB C 13 27.992 0.050 . 1 . . . . . 340 ARG CB . 53083 1 1482 . 1 . 1 339 339 ARG N N 15 120.431 0.050 . 1 . . . . . 340 ARG N . 53083 1 1483 . 1 . 1 340 340 LEU H H 1 8.659 0.005 . 1 . . . . . 341 LEU HN . 53083 1 1484 . 1 . 1 340 340 LEU C C 13 175.508 0.050 . 1 . . . . . 341 LEU C . 53083 1 1485 . 1 . 1 340 340 LEU CA C 13 55.381 0.050 . 1 . . . . . 341 LEU CA . 53083 1 1486 . 1 . 1 340 340 LEU CB C 13 38.471 0.050 . 1 . . . . . 341 LEU CB . 53083 1 1487 . 1 . 1 340 340 LEU N N 15 123.772 0.050 . 1 . . . . . 341 LEU N . 53083 1 1488 . 1 . 1 341 341 LEU H H 1 8.618 0.005 . 1 . . . . . 342 LEU HN . 53083 1 1489 . 1 . 1 341 341 LEU C C 13 177.988 0.050 . 1 . . . . . 342 LEU C . 53083 1 1490 . 1 . 1 341 341 LEU CA C 13 54.870 0.050 . 1 . . . . . 342 LEU CA . 53083 1 1491 . 1 . 1 341 341 LEU CB C 13 38.139 0.050 . 1 . . . . . 342 LEU CB . 53083 1 1492 . 1 . 1 341 341 LEU N N 15 118.092 0.050 . 1 . . . . . 342 LEU N . 53083 1 1493 . 1 . 1 342 342 LYS H H 1 7.821 0.005 . 1 . . . . . 343 LYS HN . 53083 1 1494 . 1 . 1 342 342 LYS C C 13 176.281 0.050 . 1 . . . . . 343 LYS C . 53083 1 1495 . 1 . 1 342 342 LYS CA C 13 55.906 0.050 . 1 . . . . . 343 LYS CA . 53083 1 1496 . 1 . 1 342 342 LYS CB C 13 28.962 0.050 . 1 . . . . . 343 LYS CB . 53083 1 1497 . 1 . 1 342 342 LYS N N 15 119.119 0.050 . 1 . . . . . 343 LYS N . 53083 1 1498 . 1 . 1 343 343 ALA H H 1 8.204 0.005 . 1 . . . . . 344 ALA HN . 53083 1 1499 . 1 . 1 343 343 ALA C C 13 176.237 0.050 . 1 . . . . . 344 ALA C . 53083 1 1500 . 1 . 1 343 343 ALA CA C 13 51.057 0.050 . 1 . . . . . 344 ALA CA . 53083 1 1501 . 1 . 1 343 343 ALA CB C 13 15.112 0.050 . 1 . . . . . 344 ALA CB . 53083 1 1502 . 1 . 1 343 343 ALA N N 15 121.887 0.050 . 1 . . . . . 344 ALA N . 53083 1 1503 . 1 . 1 344 344 ARG H H 1 7.753 0.005 . 1 . . . . . 345 ARG HN . 53083 1 1504 . 1 . 1 344 344 ARG C C 13 174.231 0.050 . 1 . . . . . 345 ARG C . 53083 1 1505 . 1 . 1 344 344 ARG CA C 13 53.547 0.050 . 1 . . . . . 345 ARG CA . 53083 1 1506 . 1 . 1 344 344 ARG CB C 13 26.298 0.050 . 1 . . . . . 345 ARG CB . 53083 1 1507 . 1 . 1 344 344 ARG N N 15 116.186 0.050 . 1 . . . . . 345 ARG N . 53083 1 1508 . 1 . 1 345 345 LYS H H 1 7.710 0.005 . 1 . . . . . 346 LYS HN . 53083 1 1509 . 1 . 1 345 345 LYS C C 13 174.419 0.050 . 1 . . . . . 346 LYS C . 53083 1 1510 . 1 . 1 345 345 LYS CA C 13 53.733 0.050 . 1 . . . . . 346 LYS CA . 53083 1 1511 . 1 . 1 345 345 LYS CB C 13 28.855 0.050 . 1 . . . . . 346 LYS CB . 53083 1 1512 . 1 . 1 345 345 LYS N N 15 119.999 0.050 . 1 . . . . . 346 LYS N . 53083 1 1513 . 1 . 1 346 346 VAL H H 1 7.923 0.005 . 1 . . . . . 347 VAL HN . 53083 1 1514 . 1 . 1 346 346 VAL C C 13 174.044 0.050 . 1 . . . . . 347 VAL C . 53083 1 1515 . 1 . 1 346 346 VAL CA C 13 60.269 0.050 . 1 . . . . . 347 VAL CA . 53083 1 1516 . 1 . 1 346 346 VAL CB C 13 28.843 0.050 . 1 . . . . . 347 VAL CB . 53083 1 1517 . 1 . 1 346 346 VAL N N 15 120.438 0.050 . 1 . . . . . 347 VAL N . 53083 1 1518 . 1 . 1 347 347 THR H H 1 8.061 0.005 . 1 . . . . . 348 THR HN . 53083 1 1519 . 1 . 1 347 347 THR C C 13 171.349 0.050 . 1 . . . . . 348 THR C . 53083 1 1520 . 1 . 1 347 347 THR CA C 13 58.541 0.050 . 1 . . . . . 348 THR CA . 53083 1 1521 . 1 . 1 347 347 THR CB C 13 66.901 0.050 . 1 . . . . . 348 THR CB . 53083 1 1522 . 1 . 1 347 347 THR N N 15 116.464 0.050 . 1 . . . . . 348 THR N . 53083 1 1523 . 1 . 1 348 348 THR H H 1 7.775 0.005 . 1 . . . . . 349 THR HN . 53083 1 1524 . 1 . 1 348 348 THR C C 13 176.721 0.050 . 1 . . . . . 349 THR C . 53083 1 1525 . 1 . 1 348 348 THR CA C 13 60.511 0.050 . 1 . . . . . 349 THR CA . 53083 1 1526 . 1 . 1 348 348 THR CB C 13 67.551 0.050 . 1 . . . . . 349 THR CB . 53083 1 1527 . 1 . 1 348 348 THR N N 15 121.759 0.050 . 1 . . . . . 349 THR N . 53083 1 stop_ save_