data_50188 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50188 _Entry.Title ; Structures of the free and bound forms of the intrinsically disordered plant viral genome-linked protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-02 _Entry.Accession_date 2020-02-02 _Entry.Last_release_date 2020-02-07 _Entry.Original_release_date 2020-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 ; provpg.csdep --------------------Single Chain Pro-VPg Chemical Shift Assignments vpg_3nov2019.csdep ------------VPg Chemical Shift Assignments inbound state bmrb_pro_rdc_all_KD.txt---------Residual Dipolar Coupling List for Pro ; _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 Karuna Dixit . . . 0000-0003-3583-2512 50188 2 Megha Karanth . N. . 0000-0002-5114-5643 50188 3 Smita Nair . . . . 50188 4 Khushboo Kumari . . . . 50188 5 Kalyan Chakraborti . S. . . 50188 6 H. Savitri . S. . . 50188 7 Siddhartha Sarma . P. . 0000-0001-7619-8904 50188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 50188 assigned_chemical_shifts 1 50188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 50188 '15N chemical shifts' 217 50188 '1H chemical shifts' 322 50188 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-08-12 . original BMRB . 50188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50193 'VPg in bound state' 50188 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50188 _Citation.ID 1 _Citation.Name 'Structures of the free and bound forms of the intrinsically disordered plant viral genome-linked protein' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33269926 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 59 _Citation.Journal_issue 49 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4663 _Citation.Page_last 4680 _Citation.Year 2020 _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 Karuna Dixit . . . . 50188 1 2 Megha Karanth . N. . . 50188 1 3 Smita Nair . . . . 50188 1 4 Khushboo Kumari . . . . 50188 1 5 Kalyan Chakraborti . S. . . 50188 1 6 H. Savitri . S. . . 50188 1 7 Siddhartha Sarma . P. . . 50188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50188 _Assembly.ID 1 _Assembly.Name 'Single Chain Pro-VPg' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ProVPg 1 $entity_1 . . yes native no no . . . 50188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50188 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGMASSLKLNV GDASNESAVLGSFYSPVKAG DEPASLVAIKSGPTTIGFGC RTKIDGEDCLLTAHHVWCNS MRPTGLAKAGKQVSVEDWEI SMSSSDKMLDFAIVRVPTHV WSKLGVKSTPLVCPSSKDVI TCYGGSSSDCLMSGVGSSST SEFTWKLTHTCPTAAGWAGT PLYSSRGVVGMHVGFEEIGK LNRGVNMFYVANYLLRSNET LPPELSIIEIPFDDVETRSY EFIEVEIKGRGKAKLGKREF AWIPESGKYWADEDEDELPP PPKLVGGKLVWENAQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 107-402 _Entity.Polymer_author_seq_details ; Karuna Dixit, N. Megha Karanth, Smita Nair, Khushboo Kumari, Kalyan S. Chakraborti, H.S. Savithri, and Siddhartha P Sarma. ; _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 296 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 107 MET . 50188 1 2 108 ARG . 50188 1 3 109 GLY . 50188 1 4 110 SER . 50188 1 5 111 HIS . 50188 1 6 112 HIS . 50188 1 7 113 HIS . 50188 1 8 114 HIS . 50188 1 9 115 HIS . 50188 1 10 116 HIS . 50188 1 11 117 GLY . 50188 1 12 118 MET . 50188 1 13 119 ALA . 50188 1 14 120 SER . 50188 1 15 121 SER . 50188 1 16 122 LEU . 50188 1 17 123 LYS . 50188 1 18 124 LEU . 50188 1 19 125 ASN . 50188 1 20 126 VAL . 50188 1 21 127 GLY . 50188 1 22 128 ASP . 50188 1 23 129 ALA . 50188 1 24 130 SER . 50188 1 25 131 ASN . 50188 1 26 132 GLU . 50188 1 27 133 SER . 50188 1 28 134 ALA . 50188 1 29 135 VAL . 50188 1 30 136 LEU . 50188 1 31 137 GLY . 50188 1 32 138 SER . 50188 1 33 139 PHE . 50188 1 34 140 TYR . 50188 1 35 141 SER . 50188 1 36 142 PRO . 50188 1 37 143 VAL . 50188 1 38 144 LYS . 50188 1 39 145 ALA . 50188 1 40 146 GLY . 50188 1 41 147 ASP . 50188 1 42 148 GLU . 50188 1 43 149 PRO . 50188 1 44 150 ALA . 50188 1 45 151 SER . 50188 1 46 152 LEU . 50188 1 47 153 VAL . 50188 1 48 154 ALA . 50188 1 49 155 ILE . 50188 1 50 156 LYS . 50188 1 51 157 SER . 50188 1 52 158 GLY . 50188 1 53 159 PRO . 50188 1 54 160 THR . 50188 1 55 161 THR . 50188 1 56 162 ILE . 50188 1 57 163 GLY . 50188 1 58 164 PHE . 50188 1 59 165 GLY . 50188 1 60 166 CYS . 50188 1 61 167 ARG . 50188 1 62 168 THR . 50188 1 63 169 LYS . 50188 1 64 170 ILE . 50188 1 65 171 ASP . 50188 1 66 172 GLY . 50188 1 67 173 GLU . 50188 1 68 174 ASP . 50188 1 69 175 CYS . 50188 1 70 176 LEU . 50188 1 71 177 LEU . 50188 1 72 178 THR . 50188 1 73 179 ALA . 50188 1 74 180 HIS . 50188 1 75 181 HIS . 50188 1 76 182 VAL . 50188 1 77 183 TRP . 50188 1 78 184 CYS . 50188 1 79 185 ASN . 50188 1 80 186 SER . 50188 1 81 187 MET . 50188 1 82 188 ARG . 50188 1 83 189 PRO . 50188 1 84 190 THR . 50188 1 85 191 GLY . 50188 1 86 192 LEU . 50188 1 87 193 ALA . 50188 1 88 194 LYS . 50188 1 89 195 ALA . 50188 1 90 196 GLY . 50188 1 91 197 LYS . 50188 1 92 198 GLN . 50188 1 93 199 VAL . 50188 1 94 200 SER . 50188 1 95 201 VAL . 50188 1 96 202 GLU . 50188 1 97 203 ASP . 50188 1 98 204 TRP . 50188 1 99 205 GLU . 50188 1 100 206 ILE . 50188 1 101 207 SER . 50188 1 102 208 MET . 50188 1 103 209 SER . 50188 1 104 210 SER . 50188 1 105 211 SER . 50188 1 106 212 ASP . 50188 1 107 213 LYS . 50188 1 108 214 MET . 50188 1 109 215 LEU . 50188 1 110 216 ASP . 50188 1 111 217 PHE . 50188 1 112 218 ALA . 50188 1 113 219 ILE . 50188 1 114 220 VAL . 50188 1 115 221 ARG . 50188 1 116 222 VAL . 50188 1 117 223 PRO . 50188 1 118 224 THR . 50188 1 119 225 HIS . 50188 1 120 226 VAL . 50188 1 121 227 TRP . 50188 1 122 228 SER . 50188 1 123 229 LYS . 50188 1 124 230 LEU . 50188 1 125 231 GLY . 50188 1 126 232 VAL . 50188 1 127 233 LYS . 50188 1 128 234 SER . 50188 1 129 235 THR . 50188 1 130 236 PRO . 50188 1 131 237 LEU . 50188 1 132 238 VAL . 50188 1 133 239 CYS . 50188 1 134 240 PRO . 50188 1 135 241 SER . 50188 1 136 242 SER . 50188 1 137 243 LYS . 50188 1 138 244 ASP . 50188 1 139 245 VAL . 50188 1 140 246 ILE . 50188 1 141 247 THR . 50188 1 142 248 CYS . 50188 1 143 249 TYR . 50188 1 144 250 GLY . 50188 1 145 251 GLY . 50188 1 146 252 SER . 50188 1 147 253 SER . 50188 1 148 254 SER . 50188 1 149 255 ASP . 50188 1 150 256 CYS . 50188 1 151 257 LEU . 50188 1 152 258 MET . 50188 1 153 259 SER . 50188 1 154 260 GLY . 50188 1 155 261 VAL . 50188 1 156 262 GLY . 50188 1 157 263 SER . 50188 1 158 264 SER . 50188 1 159 265 SER . 50188 1 160 266 THR . 50188 1 161 267 SER . 50188 1 162 268 GLU . 50188 1 163 269 PHE . 50188 1 164 270 THR . 50188 1 165 271 TRP . 50188 1 166 272 LYS . 50188 1 167 273 LEU . 50188 1 168 274 THR . 50188 1 169 275 HIS . 50188 1 170 276 THR . 50188 1 171 277 CYS . 50188 1 172 278 PRO . 50188 1 173 279 THR . 50188 1 174 280 ALA . 50188 1 175 281 ALA . 50188 1 176 282 GLY . 50188 1 177 283 TRP . 50188 1 178 284 ALA . 50188 1 179 285 GLY . 50188 1 180 286 THR . 50188 1 181 287 PRO . 50188 1 182 288 LEU . 50188 1 183 289 TYR . 50188 1 184 290 SER . 50188 1 185 291 SER . 50188 1 186 292 ARG . 50188 1 187 293 GLY . 50188 1 188 294 VAL . 50188 1 189 295 VAL . 50188 1 190 296 GLY . 50188 1 191 297 MET . 50188 1 192 298 HIS . 50188 1 193 299 VAL . 50188 1 194 300 GLY . 50188 1 195 301 PHE . 50188 1 196 302 GLU . 50188 1 197 303 GLU . 50188 1 198 304 ILE . 50188 1 199 305 GLY . 50188 1 200 306 LYS . 50188 1 201 307 LEU . 50188 1 202 308 ASN . 50188 1 203 309 ARG . 50188 1 204 310 GLY . 50188 1 205 311 VAL . 50188 1 206 312 ASN . 50188 1 207 313 MET . 50188 1 208 314 PHE . 50188 1 209 315 TYR . 50188 1 210 316 VAL . 50188 1 211 317 ALA . 50188 1 212 318 ASN . 50188 1 213 319 TYR . 50188 1 214 320 LEU . 50188 1 215 321 LEU . 50188 1 216 322 ARG . 50188 1 217 323 SER . 50188 1 218 324 ASN . 50188 1 219 325 GLU . 50188 1 220 326 THR . 50188 1 221 327 LEU . 50188 1 222 328 PRO . 50188 1 223 329 PRO . 50188 1 224 330 GLU . 50188 1 225 331 LEU . 50188 1 226 332 SER . 50188 1 227 333 ILE . 50188 1 228 334 ILE . 50188 1 229 335 GLU . 50188 1 230 336 ILE . 50188 1 231 337 PRO . 50188 1 232 338 PHE . 50188 1 233 339 ASP . 50188 1 234 340 ASP . 50188 1 235 341 VAL . 50188 1 236 342 GLU . 50188 1 237 343 THR . 50188 1 238 344 ARG . 50188 1 239 345 SER . 50188 1 240 346 TYR . 50188 1 241 347 GLU . 50188 1 242 348 PHE . 50188 1 243 349 ILE . 50188 1 244 350 GLU . 50188 1 245 351 VAL . 50188 1 246 352 GLU . 50188 1 247 353 ILE . 50188 1 248 354 LYS . 50188 1 249 355 GLY . 50188 1 250 356 ARG . 50188 1 251 357 GLY . 50188 1 252 358 LYS . 50188 1 253 359 ALA . 50188 1 254 360 LYS . 50188 1 255 361 LEU . 50188 1 256 362 GLY . 50188 1 257 363 LYS . 50188 1 258 364 ARG . 50188 1 259 365 GLU . 50188 1 260 366 PHE . 50188 1 261 367 ALA . 50188 1 262 368 TRP . 50188 1 263 369 ILE . 50188 1 264 370 PRO . 50188 1 265 371 GLU . 50188 1 266 372 SER . 50188 1 267 373 GLY . 50188 1 268 374 LYS . 50188 1 269 375 TYR . 50188 1 270 376 TRP . 50188 1 271 377 ALA . 50188 1 272 378 ASP . 50188 1 273 379 GLU . 50188 1 274 380 ASP . 50188 1 275 381 GLU . 50188 1 276 382 ASP . 50188 1 277 383 GLU . 50188 1 278 384 LEU . 50188 1 279 385 PRO . 50188 1 280 386 PRO . 50188 1 281 387 PRO . 50188 1 282 388 PRO . 50188 1 283 389 LYS . 50188 1 284 390 LEU . 50188 1 285 391 VAL . 50188 1 286 392 GLY . 50188 1 287 393 GLY . 50188 1 288 394 LYS . 50188 1 289 395 LEU . 50188 1 290 396 VAL . 50188 1 291 397 TRP . 50188 1 292 398 GLU . 50188 1 293 399 ASN . 50188 1 294 400 ALA . 50188 1 295 401 GLN . 50188 1 296 402 GLU . 50188 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50188 1 . ARG 2 2 50188 1 . GLY 3 3 50188 1 . SER 4 4 50188 1 . HIS 5 5 50188 1 . HIS 6 6 50188 1 . HIS 7 7 50188 1 . HIS 8 8 50188 1 . HIS 9 9 50188 1 . HIS 10 10 50188 1 . GLY 11 11 50188 1 . MET 12 12 50188 1 . ALA 13 13 50188 1 . SER 14 14 50188 1 . SER 15 15 50188 1 . LEU 16 16 50188 1 . LYS 17 17 50188 1 . LEU 18 18 50188 1 . ASN 19 19 50188 1 . VAL 20 20 50188 1 . GLY 21 21 50188 1 . ASP 22 22 50188 1 . ALA 23 23 50188 1 . SER 24 24 50188 1 . ASN 25 25 50188 1 . GLU 26 26 50188 1 . SER 27 27 50188 1 . ALA 28 28 50188 1 . VAL 29 29 50188 1 . LEU 30 30 50188 1 . GLY 31 31 50188 1 . SER 32 32 50188 1 . PHE 33 33 50188 1 . TYR 34 34 50188 1 . SER 35 35 50188 1 . PRO 36 36 50188 1 . VAL 37 37 50188 1 . LYS 38 38 50188 1 . ALA 39 39 50188 1 . GLY 40 40 50188 1 . ASP 41 41 50188 1 . GLU 42 42 50188 1 . PRO 43 43 50188 1 . ALA 44 44 50188 1 . SER 45 45 50188 1 . LEU 46 46 50188 1 . VAL 47 47 50188 1 . ALA 48 48 50188 1 . ILE 49 49 50188 1 . LYS 50 50 50188 1 . SER 51 51 50188 1 . GLY 52 52 50188 1 . PRO 53 53 50188 1 . THR 54 54 50188 1 . THR 55 55 50188 1 . ILE 56 56 50188 1 . GLY 57 57 50188 1 . PHE 58 58 50188 1 . GLY 59 59 50188 1 . CYS 60 60 50188 1 . ARG 61 61 50188 1 . THR 62 62 50188 1 . LYS 63 63 50188 1 . ILE 64 64 50188 1 . ASP 65 65 50188 1 . GLY 66 66 50188 1 . GLU 67 67 50188 1 . ASP 68 68 50188 1 . CYS 69 69 50188 1 . LEU 70 70 50188 1 . LEU 71 71 50188 1 . THR 72 72 50188 1 . ALA 73 73 50188 1 . HIS 74 74 50188 1 . HIS 75 75 50188 1 . VAL 76 76 50188 1 . TRP 77 77 50188 1 . CYS 78 78 50188 1 . ASN 79 79 50188 1 . SER 80 80 50188 1 . MET 81 81 50188 1 . ARG 82 82 50188 1 . PRO 83 83 50188 1 . THR 84 84 50188 1 . GLY 85 85 50188 1 . LEU 86 86 50188 1 . ALA 87 87 50188 1 . LYS 88 88 50188 1 . ALA 89 89 50188 1 . GLY 90 90 50188 1 . LYS 91 91 50188 1 . GLN 92 92 50188 1 . VAL 93 93 50188 1 . SER 94 94 50188 1 . VAL 95 95 50188 1 . GLU 96 96 50188 1 . ASP 97 97 50188 1 . TRP 98 98 50188 1 . GLU 99 99 50188 1 . ILE 100 100 50188 1 . SER 101 101 50188 1 . MET 102 102 50188 1 . SER 103 103 50188 1 . SER 104 104 50188 1 . SER 105 105 50188 1 . ASP 106 106 50188 1 . LYS 107 107 50188 1 . MET 108 108 50188 1 . LEU 109 109 50188 1 . ASP 110 110 50188 1 . PHE 111 111 50188 1 . ALA 112 112 50188 1 . ILE 113 113 50188 1 . VAL 114 114 50188 1 . ARG 115 115 50188 1 . VAL 116 116 50188 1 . PRO 117 117 50188 1 . THR 118 118 50188 1 . HIS 119 119 50188 1 . VAL 120 120 50188 1 . TRP 121 121 50188 1 . SER 122 122 50188 1 . LYS 123 123 50188 1 . LEU 124 124 50188 1 . GLY 125 125 50188 1 . VAL 126 126 50188 1 . LYS 127 127 50188 1 . SER 128 128 50188 1 . THR 129 129 50188 1 . PRO 130 130 50188 1 . LEU 131 131 50188 1 . VAL 132 132 50188 1 . CYS 133 133 50188 1 . PRO 134 134 50188 1 . SER 135 135 50188 1 . SER 136 136 50188 1 . LYS 137 137 50188 1 . ASP 138 138 50188 1 . VAL 139 139 50188 1 . ILE 140 140 50188 1 . THR 141 141 50188 1 . CYS 142 142 50188 1 . TYR 143 143 50188 1 . GLY 144 144 50188 1 . GLY 145 145 50188 1 . SER 146 146 50188 1 . SER 147 147 50188 1 . SER 148 148 50188 1 . ASP 149 149 50188 1 . CYS 150 150 50188 1 . LEU 151 151 50188 1 . MET 152 152 50188 1 . SER 153 153 50188 1 . GLY 154 154 50188 1 . VAL 155 155 50188 1 . GLY 156 156 50188 1 . SER 157 157 50188 1 . SER 158 158 50188 1 . SER 159 159 50188 1 . THR 160 160 50188 1 . SER 161 161 50188 1 . GLU 162 162 50188 1 . PHE 163 163 50188 1 . THR 164 164 50188 1 . TRP 165 165 50188 1 . LYS 166 166 50188 1 . LEU 167 167 50188 1 . THR 168 168 50188 1 . HIS 169 169 50188 1 . THR 170 170 50188 1 . CYS 171 171 50188 1 . PRO 172 172 50188 1 . THR 173 173 50188 1 . ALA 174 174 50188 1 . ALA 175 175 50188 1 . GLY 176 176 50188 1 . TRP 177 177 50188 1 . ALA 178 178 50188 1 . GLY 179 179 50188 1 . THR 180 180 50188 1 . PRO 181 181 50188 1 . LEU 182 182 50188 1 . TYR 183 183 50188 1 . SER 184 184 50188 1 . SER 185 185 50188 1 . ARG 186 186 50188 1 . GLY 187 187 50188 1 . VAL 188 188 50188 1 . VAL 189 189 50188 1 . GLY 190 190 50188 1 . MET 191 191 50188 1 . HIS 192 192 50188 1 . VAL 193 193 50188 1 . GLY 194 194 50188 1 . PHE 195 195 50188 1 . GLU 196 196 50188 1 . GLU 197 197 50188 1 . ILE 198 198 50188 1 . GLY 199 199 50188 1 . LYS 200 200 50188 1 . LEU 201 201 50188 1 . ASN 202 202 50188 1 . ARG 203 203 50188 1 . GLY 204 204 50188 1 . VAL 205 205 50188 1 . ASN 206 206 50188 1 . MET 207 207 50188 1 . PHE 208 208 50188 1 . TYR 209 209 50188 1 . VAL 210 210 50188 1 . ALA 211 211 50188 1 . ASN 212 212 50188 1 . TYR 213 213 50188 1 . LEU 214 214 50188 1 . LEU 215 215 50188 1 . ARG 216 216 50188 1 . SER 217 217 50188 1 . ASN 218 218 50188 1 . GLU 219 219 50188 1 . THR 220 220 50188 1 . LEU 221 221 50188 1 . PRO 222 222 50188 1 . PRO 223 223 50188 1 . GLU 224 224 50188 1 . LEU 225 225 50188 1 . SER 226 226 50188 1 . ILE 227 227 50188 1 . ILE 228 228 50188 1 . GLU 229 229 50188 1 . ILE 230 230 50188 1 . PRO 231 231 50188 1 . PHE 232 232 50188 1 . ASP 233 233 50188 1 . ASP 234 234 50188 1 . VAL 235 235 50188 1 . GLU 236 236 50188 1 . THR 237 237 50188 1 . ARG 238 238 50188 1 . SER 239 239 50188 1 . TYR 240 240 50188 1 . GLU 241 241 50188 1 . PHE 242 242 50188 1 . ILE 243 243 50188 1 . GLU 244 244 50188 1 . VAL 245 245 50188 1 . GLU 246 246 50188 1 . ILE 247 247 50188 1 . LYS 248 248 50188 1 . GLY 249 249 50188 1 . ARG 250 250 50188 1 . GLY 251 251 50188 1 . LYS 252 252 50188 1 . ALA 253 253 50188 1 . LYS 254 254 50188 1 . LEU 255 255 50188 1 . GLY 256 256 50188 1 . LYS 257 257 50188 1 . ARG 258 258 50188 1 . GLU 259 259 50188 1 . PHE 260 260 50188 1 . ALA 261 261 50188 1 . TRP 262 262 50188 1 . ILE 263 263 50188 1 . PRO 264 264 50188 1 . GLU 265 265 50188 1 . SER 266 266 50188 1 . GLY 267 267 50188 1 . LYS 268 268 50188 1 . TYR 269 269 50188 1 . TRP 270 270 50188 1 . ALA 271 271 50188 1 . ASP 272 272 50188 1 . GLU 273 273 50188 1 . ASP 274 274 50188 1 . GLU 275 275 50188 1 . ASP 276 276 50188 1 . GLU 277 277 50188 1 . LEU 278 278 50188 1 . PRO 279 279 50188 1 . PRO 280 280 50188 1 . PRO 281 281 50188 1 . PRO 282 282 50188 1 . LYS 283 283 50188 1 . LEU 284 284 50188 1 . VAL 285 285 50188 1 . GLY 286 286 50188 1 . GLY 287 287 50188 1 . LYS 288 288 50188 1 . LEU 289 289 50188 1 . VAL 290 290 50188 1 . TRP 291 291 50188 1 . GLU 292 292 50188 1 . ASN 293 293 50188 1 . ALA 294 294 50188 1 . GLN 295 295 50188 1 . GLU 296 296 50188 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50188 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . 50188 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 50188 _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(DE3)pLysS . . plasmid . . pRSET . . . 50188 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50188 _Sample.ID 1 _Sample.Name provpg _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-2H, 15N, 13C-provpg selectively labeled ILV' _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 entity_1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.3 0.25 0.35 mM 0.02 . . . 50188 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 50188 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50188 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50188 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50188 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 50188 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM potassium phosphate buffer, pH 7.0, containing 50 mM NaCl, 1 mM EDTA, and 0.01% sodium azide.' _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' 0.065 . M 50188 1 pH 7 . pH 50188 1 pressure 1 . atm 50188 1 temperature 298 . K 50188 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50188 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50188 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50188 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50188 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50188 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50188 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50188 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50188 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50188 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 50188 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600 MHz' _NMR_spectrometer.Details 'HCN probe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50188 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 700 MHz' _NMR_spectrometer.Details 'cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50188 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50188 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 50188 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 50188 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50188 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132911 . . . . . 50188 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 50188 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ProVPg _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50188 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 10 10 HIS CA C 13 59.539 0.000 . 1 . . . . . 116 HIS CA . 50188 1 2 . 1 . 1 10 10 HIS CB C 13 34.359 0.000 . 1 . . . . . 116 HIS CB . 50188 1 3 . 1 . 1 11 11 GLY H H 1 8.438 0.006 . 1 . . . . . 117 GLY H . 50188 1 4 . 1 . 1 11 11 GLY CA C 13 44.931 0.000 . 1 . . . . . 117 GLY CA . 50188 1 5 . 1 . 1 11 11 GLY N N 15 109.377 0.025 . 1 . . . . . 117 GLY N . 50188 1 6 . 1 . 1 12 12 MET CA C 13 53.952 0.000 . 1 . . . . . 118 MET CA . 50188 1 7 . 1 . 1 13 13 ALA H H 1 8.212 0.007 . 1 . . . . . 119 ALA H . 50188 1 8 . 1 . 1 13 13 ALA CA C 13 52.286 0.040 . 1 . . . . . 119 ALA CA . 50188 1 9 . 1 . 1 13 13 ALA N N 15 124.970 0.042 . 1 . . . . . 119 ALA N . 50188 1 10 . 1 . 1 14 14 SER H H 1 8.210 0.010 . 1 . . . . . 120 SER H . 50188 1 11 . 1 . 1 14 14 SER CA C 13 58.395 0.000 . 1 . . . . . 120 SER CA . 50188 1 12 . 1 . 1 14 14 SER N N 15 115.191 0.041 . 1 . . . . . 120 SER N . 50188 1 13 . 1 . 1 19 19 ASN CA C 13 52.704 0.012 . 1 . . . . . 125 ASN CA . 50188 1 14 . 1 . 1 19 19 ASN CB C 13 38.272 0.021 . 1 . . . . . 125 ASN CB . 50188 1 15 . 1 . 1 20 20 VAL H H 1 7.991 0.007 . 1 . . . . . 126 VAL H . 50188 1 16 . 1 . 1 20 20 VAL HG11 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG11 . 50188 1 17 . 1 . 1 20 20 VAL HG12 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG12 . 50188 1 18 . 1 . 1 20 20 VAL HG13 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG13 . 50188 1 19 . 1 . 1 20 20 VAL HG21 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG21 . 50188 1 20 . 1 . 1 20 20 VAL HG22 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG22 . 50188 1 21 . 1 . 1 20 20 VAL HG23 H 1 0.761 0.000 . 1 . . . . . 126 VAL HG23 . 50188 1 22 . 1 . 1 20 20 VAL CA C 13 62.029 0.021 . 1 . . . . . 126 VAL CA . 50188 1 23 . 1 . 1 20 20 VAL CB C 13 31.727 0.000 . 1 . . . . . 126 VAL CB . 50188 1 24 . 1 . 1 20 20 VAL N N 15 120.200 0.069 . 1 . . . . . 126 VAL N . 50188 1 25 . 1 . 1 21 21 GLY H H 1 8.312 0.004 . 1 . . . . . 127 GLY H . 50188 1 26 . 1 . 1 21 21 GLY CA C 13 44.839 0.016 . 1 . . . . . 127 GLY CA . 50188 1 27 . 1 . 1 21 21 GLY N N 15 112.237 0.047 . 1 . . . . . 127 GLY N . 50188 1 28 . 1 . 1 22 22 ASP H H 1 7.916 0.006 . 1 . . . . . 128 ASP H . 50188 1 29 . 1 . 1 22 22 ASP CA C 13 55.287 0.000 . 1 . . . . . 128 ASP CA . 50188 1 30 . 1 . 1 22 22 ASP CB C 13 41.582 0.000 . 1 . . . . . 128 ASP CB . 50188 1 31 . 1 . 1 22 22 ASP N N 15 126.187 0.044 . 1 . . . . . 128 ASP N . 50188 1 32 . 1 . 1 23 23 ALA CA C 13 52.028 0.000 . 1 . . . . . 129 ALA CA . 50188 1 33 . 1 . 1 23 23 ALA CB C 13 18.405 0.006 . 1 . . . . . 129 ALA CB . 50188 1 34 . 1 . 1 24 24 SER H H 1 7.781 0.007 . 1 . . . . . 130 SER H . 50188 1 35 . 1 . 1 24 24 SER CA C 13 59.450 0.000 . 1 . . . . . 130 SER CA . 50188 1 36 . 1 . 1 24 24 SER CB C 13 64.234 0.000 . 1 . . . . . 130 SER CB . 50188 1 37 . 1 . 1 24 24 SER N N 15 121.346 0.017 . 1 . . . . . 130 SER N . 50188 1 38 . 1 . 1 26 26 GLU CA C 13 56.730 0.000 . 1 . . . . . 132 GLU CA . 50188 1 39 . 1 . 1 27 27 SER H H 1 8.142 0.010 . 1 . . . . . 133 SER H . 50188 1 40 . 1 . 1 27 27 SER CA C 13 58.267 0.046 . 1 . . . . . 133 SER CA . 50188 1 41 . 1 . 1 27 27 SER CB C 13 63.341 0.000 . 1 . . . . . 133 SER CB . 50188 1 42 . 1 . 1 27 27 SER N N 15 116.422 0.025 . 1 . . . . . 133 SER N . 50188 1 43 . 1 . 1 28 28 ALA H H 1 8.058 0.003 . 1 . . . . . 134 ALA H . 50188 1 44 . 1 . 1 28 28 ALA CA C 13 52.218 0.007 . 1 . . . . . 134 ALA CA . 50188 1 45 . 1 . 1 28 28 ALA CB C 13 18.353 0.014 . 1 . . . . . 134 ALA CB . 50188 1 46 . 1 . 1 28 28 ALA N N 15 126.118 0.043 . 1 . . . . . 134 ALA N . 50188 1 47 . 1 . 1 29 29 VAL H H 1 7.831 0.007 . 1 . . . . . 135 VAL H . 50188 1 48 . 1 . 1 29 29 VAL HG11 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG11 . 50188 1 49 . 1 . 1 29 29 VAL HG12 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG12 . 50188 1 50 . 1 . 1 29 29 VAL HG13 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG13 . 50188 1 51 . 1 . 1 29 29 VAL HG21 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG21 . 50188 1 52 . 1 . 1 29 29 VAL HG22 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG22 . 50188 1 53 . 1 . 1 29 29 VAL HG23 H 1 0.761 0.000 . 1 . . . . . 135 VAL HG23 . 50188 1 54 . 1 . 1 29 29 VAL CA C 13 61.866 0.003 . 1 . . . . . 135 VAL CA . 50188 1 55 . 1 . 1 29 29 VAL CB C 13 31.761 0.051 . 1 . . . . . 135 VAL CB . 50188 1 56 . 1 . 1 29 29 VAL N N 15 118.747 0.035 . 1 . . . . . 135 VAL N . 50188 1 57 . 1 . 1 30 30 LEU H H 1 8.077 0.006 . 1 . . . . . 136 LEU H . 50188 1 58 . 1 . 1 30 30 LEU HD11 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD11 . 50188 1 59 . 1 . 1 30 30 LEU HD12 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD12 . 50188 1 60 . 1 . 1 30 30 LEU HD13 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD13 . 50188 1 61 . 1 . 1 30 30 LEU HD21 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD21 . 50188 1 62 . 1 . 1 30 30 LEU HD22 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD22 . 50188 1 63 . 1 . 1 30 30 LEU HD23 H 1 0.803 0.000 . 1 . . . . . 136 LEU HD23 . 50188 1 64 . 1 . 1 30 30 LEU CA C 13 55.038 0.065 . 1 . . . . . 136 LEU CA . 50188 1 65 . 1 . 1 30 30 LEU CB C 13 41.260 0.041 . 1 . . . . . 136 LEU CB . 50188 1 66 . 1 . 1 30 30 LEU N N 15 125.212 0.102 . 1 . . . . . 136 LEU N . 50188 1 67 . 1 . 1 31 31 GLY H H 1 8.179 0.016 . 1 . . . . . 137 GLY H . 50188 1 68 . 1 . 1 31 31 GLY CA C 13 44.892 0.021 . 1 . . . . . 137 GLY CA . 50188 1 69 . 1 . 1 31 31 GLY N N 15 109.644 0.151 . 1 . . . . . 137 GLY N . 50188 1 70 . 1 . 1 32 32 SER H H 1 7.917 0.013 . 1 . . . . . 138 SER H . 50188 1 71 . 1 . 1 32 32 SER CA C 13 57.568 0.038 . 1 . . . . . 138 SER CA . 50188 1 72 . 1 . 1 32 32 SER CB C 13 63.003 0.000 . 1 . . . . . 138 SER CB . 50188 1 73 . 1 . 1 32 32 SER N N 15 115.308 0.036 . 1 . . . . . 138 SER N . 50188 1 74 . 1 . 1 33 33 PHE H H 1 7.774 0.009 . 1 . . . . . 139 PHE H . 50188 1 75 . 1 . 1 33 33 PHE CA C 13 56.849 0.016 . 1 . . . . . 139 PHE CA . 50188 1 76 . 1 . 1 33 33 PHE CB C 13 38.908 0.069 . 1 . . . . . 139 PHE CB . 50188 1 77 . 1 . 1 33 33 PHE N N 15 121.103 0.060 . 1 . . . . . 139 PHE N . 50188 1 78 . 1 . 1 34 34 TYR H H 1 7.726 0.026 . 1 . . . . . 140 TYR H . 50188 1 79 . 1 . 1 34 34 TYR CA C 13 55.651 0.139 . 1 . . . . . 140 TYR CA . 50188 1 80 . 1 . 1 34 34 TYR CB C 13 40.511 0.166 . 1 . . . . . 140 TYR CB . 50188 1 81 . 1 . 1 34 34 TYR N N 15 119.947 0.084 . 1 . . . . . 140 TYR N . 50188 1 82 . 1 . 1 35 35 SER H H 1 8.883 0.007 . 1 . . . . . 141 SER H . 50188 1 83 . 1 . 1 35 35 SER CA C 13 55.473 0.000 . 1 . . . . . 141 SER CA . 50188 1 84 . 1 . 1 35 35 SER CB C 13 63.755 0.000 . 1 . . . . . 141 SER CB . 50188 1 85 . 1 . 1 35 35 SER N N 15 117.370 0.050 . 1 . . . . . 141 SER N . 50188 1 86 . 1 . 1 36 36 PRO CA C 13 63.164 0.010 . 1 . . . . . 142 PRO CA . 50188 1 87 . 1 . 1 36 36 PRO CB C 13 31.612 0.052 . 1 . . . . . 142 PRO CB . 50188 1 88 . 1 . 1 37 37 VAL H H 1 8.142 0.012 . 1 . . . . . 143 VAL H . 50188 1 89 . 1 . 1 37 37 VAL HG11 H 1 0.796 0.000 . 1 . . . . . 143 VAL HG11 . 50188 1 90 . 1 . 1 37 37 VAL HG12 H 1 0.796 0.000 . 1 . . . . . 143 VAL HG12 . 50188 1 91 . 1 . 1 37 37 VAL HG13 H 1 0.796 0.000 . 1 . . . . . 143 VAL HG13 . 50188 1 92 . 1 . 1 37 37 VAL CA C 13 60.429 0.008 . 1 . . . . . 143 VAL CA . 50188 1 93 . 1 . 1 37 37 VAL CB C 13 32.939 0.062 . 1 . . . . . 143 VAL CB . 50188 1 94 . 1 . 1 37 37 VAL N N 15 124.745 0.053 . 1 . . . . . 143 VAL N . 50188 1 95 . 1 . 1 38 38 LYS H H 1 8.930 0.007 . 1 . . . . . 144 LYS H . 50188 1 96 . 1 . 1 38 38 LYS CA C 13 55.954 0.003 . 1 . . . . . 144 LYS CA . 50188 1 97 . 1 . 1 38 38 LYS CB C 13 31.521 0.011 . 1 . . . . . 144 LYS CB . 50188 1 98 . 1 . 1 38 38 LYS N N 15 130.342 0.091 . 1 . . . . . 144 LYS N . 50188 1 99 . 1 . 1 39 39 ALA H H 1 8.383 0.007 . 1 . . . . . 145 ALA H . 50188 1 100 . 1 . 1 39 39 ALA CA C 13 53.637 0.007 . 1 . . . . . 145 ALA CA . 50188 1 101 . 1 . 1 39 39 ALA CB C 13 17.011 0.016 . 1 . . . . . 145 ALA CB . 50188 1 102 . 1 . 1 39 39 ALA N N 15 126.423 0.067 . 1 . . . . . 145 ALA N . 50188 1 103 . 1 . 1 40 40 GLY H H 1 9.204 0.021 . 1 . . . . . 146 GLY H . 50188 1 104 . 1 . 1 40 40 GLY CA C 13 44.811 0.020 . 1 . . . . . 146 GLY CA . 50188 1 105 . 1 . 1 40 40 GLY N N 15 114.780 0.024 . 1 . . . . . 146 GLY N . 50188 1 106 . 1 . 1 41 41 ASP H H 1 8.318 0.030 . 1 . . . . . 147 ASP H . 50188 1 107 . 1 . 1 41 41 ASP CA C 13 53.750 0.021 . 1 . . . . . 147 ASP CA . 50188 1 108 . 1 . 1 41 41 ASP CB C 13 40.296 0.042 . 1 . . . . . 147 ASP CB . 50188 1 109 . 1 . 1 41 41 ASP N N 15 120.019 0.070 . 1 . . . . . 147 ASP N . 50188 1 110 . 1 . 1 42 42 GLU H H 1 9.135 0.027 . 1 . . . . . 148 GLU H . 50188 1 111 . 1 . 1 42 42 GLU CA C 13 53.796 0.046 . 1 . . . . . 148 GLU CA . 50188 1 112 . 1 . 1 42 42 GLU CB C 13 25.294 0.000 . 1 . . . . . 148 GLU CB . 50188 1 113 . 1 . 1 42 42 GLU N N 15 125.264 0.064 . 1 . . . . . 148 GLU N . 50188 1 114 . 1 . 1 44 44 ALA CA C 13 53.850 0.003 . 1 . . . . . 150 ALA CA . 50188 1 115 . 1 . 1 44 44 ALA CB C 13 17.841 0.000 . 1 . . . . . 150 ALA CB . 50188 1 116 . 1 . 1 45 45 SER H H 1 7.159 0.014 . 1 . . . . . 151 SER H . 50188 1 117 . 1 . 1 45 45 SER CA C 13 57.379 0.016 . 1 . . . . . 151 SER CA . 50188 1 118 . 1 . 1 45 45 SER CB C 13 65.298 0.006 . 1 . . . . . 151 SER CB . 50188 1 119 . 1 . 1 45 45 SER N N 15 107.551 0.025 . 1 . . . . . 151 SER N . 50188 1 120 . 1 . 1 46 46 LEU H H 1 6.677 0.019 . 1 . . . . . 152 LEU H . 50188 1 121 . 1 . 1 46 46 LEU HD11 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD11 . 50188 1 122 . 1 . 1 46 46 LEU HD12 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD12 . 50188 1 123 . 1 . 1 46 46 LEU HD13 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD13 . 50188 1 124 . 1 . 1 46 46 LEU HD21 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD21 . 50188 1 125 . 1 . 1 46 46 LEU HD22 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD22 . 50188 1 126 . 1 . 1 46 46 LEU HD23 H 1 0.868 0.000 . 1 . . . . . 152 LEU HD23 . 50188 1 127 . 1 . 1 46 46 LEU CA C 13 55.308 0.010 . 1 . . . . . 152 LEU CA . 50188 1 128 . 1 . 1 46 46 LEU CB C 13 43.239 0.016 . 1 . . . . . 152 LEU CB . 50188 1 129 . 1 . 1 46 46 LEU N N 15 122.489 0.064 . 1 . . . . . 152 LEU N . 50188 1 130 . 1 . 1 47 47 VAL H H 1 8.694 0.005 . 1 . . . . . 153 VAL H . 50188 1 131 . 1 . 1 47 47 VAL CA C 13 59.786 0.026 . 1 . . . . . 153 VAL CA . 50188 1 132 . 1 . 1 47 47 VAL CB C 13 34.986 0.016 . 1 . . . . . 153 VAL CB . 50188 1 133 . 1 . 1 47 47 VAL N N 15 122.041 0.025 . 1 . . . . . 153 VAL N . 50188 1 134 . 1 . 1 48 48 ALA H H 1 8.750 0.014 . 1 . . . . . 154 ALA H . 50188 1 135 . 1 . 1 48 48 ALA CA C 13 50.214 0.008 . 1 . . . . . 154 ALA CA . 50188 1 136 . 1 . 1 48 48 ALA CB C 13 20.112 0.062 . 1 . . . . . 154 ALA CB . 50188 1 137 . 1 . 1 48 48 ALA N N 15 125.299 0.029 . 1 . . . . . 154 ALA N . 50188 1 138 . 1 . 1 49 49 ILE H H 1 8.474 0.005 . 1 . . . . . 155 ILE H . 50188 1 139 . 1 . 1 49 49 ILE CA C 13 60.612 0.002 . 1 . . . . . 155 ILE CA . 50188 1 140 . 1 . 1 49 49 ILE CB C 13 37.746 0.012 . 1 . . . . . 155 ILE CB . 50188 1 141 . 1 . 1 49 49 ILE N N 15 121.770 0.026 . 1 . . . . . 155 ILE N . 50188 1 142 . 1 . 1 50 50 LYS H H 1 8.658 0.004 . 1 . . . . . 156 LYS H . 50188 1 143 . 1 . 1 50 50 LYS CA C 13 53.057 6.920 . 1 . . . . . 156 LYS CA . 50188 1 144 . 1 . 1 50 50 LYS CB C 13 33.183 0.047 . 1 . . . . . 156 LYS CB . 50188 1 145 . 1 . 1 50 50 LYS N N 15 124.998 0.017 . 1 . . . . . 156 LYS N . 50188 1 146 . 1 . 1 51 51 SER H H 1 8.718 0.022 . 1 . . . . . 157 SER H . 50188 1 147 . 1 . 1 51 51 SER CA C 13 56.566 0.011 . 1 . . . . . 157 SER CA . 50188 1 148 . 1 . 1 51 51 SER CB C 13 63.118 0.036 . 1 . . . . . 157 SER CB . 50188 1 149 . 1 . 1 51 51 SER N N 15 116.457 0.071 . 1 . . . . . 157 SER N . 50188 1 150 . 1 . 1 52 52 GLY H H 1 9.291 0.014 . 1 . . . . . 158 GLY H . 50188 1 151 . 1 . 1 52 52 GLY CA C 13 44.227 0.000 . 1 . . . . . 158 GLY CA . 50188 1 152 . 1 . 1 52 52 GLY N N 15 121.228 0.042 . 1 . . . . . 158 GLY N . 50188 1 153 . 1 . 1 53 53 PRO CA C 13 63.089 0.000 . 1 . . . . . 159 PRO CA . 50188 1 154 . 1 . 1 53 53 PRO CB C 13 31.619 0.000 . 1 . . . . . 159 PRO CB . 50188 1 155 . 1 . 1 54 54 THR H H 1 7.547 0.016 . 1 . . . . . 160 THR H . 50188 1 156 . 1 . 1 54 54 THR CA C 13 62.462 0.022 . 1 . . . . . 160 THR CA . 50188 1 157 . 1 . 1 54 54 THR CB C 13 69.761 0.077 . 1 . . . . . 160 THR CB . 50188 1 158 . 1 . 1 54 54 THR N N 15 119.727 0.022 . 1 . . . . . 160 THR N . 50188 1 159 . 1 . 1 55 55 THR H H 1 9.210 0.007 . 1 . . . . . 161 THR H . 50188 1 160 . 1 . 1 55 55 THR CA C 13 63.667 0.022 . 1 . . . . . 161 THR CA . 50188 1 161 . 1 . 1 55 55 THR CB C 13 68.175 0.000 . 1 . . . . . 161 THR CB . 50188 1 162 . 1 . 1 55 55 THR N N 15 126.738 0.071 . 1 . . . . . 161 THR N . 50188 1 163 . 1 . 1 56 56 ILE H H 1 8.632 0.011 . 1 . . . . . 162 ILE H . 50188 1 164 . 1 . 1 56 56 ILE CA C 13 61.050 0.002 . 1 . . . . . 162 ILE CA . 50188 1 165 . 1 . 1 56 56 ILE CB C 13 38.325 0.000 . 1 . . . . . 162 ILE CB . 50188 1 166 . 1 . 1 56 56 ILE N N 15 122.190 0.053 . 1 . . . . . 162 ILE N . 50188 1 167 . 1 . 1 57 57 GLY H H 1 7.461 0.005 . 1 . . . . . 163 GLY H . 50188 1 168 . 1 . 1 57 57 GLY CA C 13 45.169 0.021 . 1 . . . . . 163 GLY CA . 50188 1 169 . 1 . 1 57 57 GLY N N 15 108.984 0.056 . 1 . . . . . 163 GLY N . 50188 1 170 . 1 . 1 58 58 PHE H H 1 8.585 0.017 . 1 . . . . . 164 PHE H . 50188 1 171 . 1 . 1 58 58 PHE CA C 13 56.379 0.037 . 1 . . . . . 164 PHE CA . 50188 1 172 . 1 . 1 58 58 PHE CB C 13 44.841 0.074 . 1 . . . . . 164 PHE CB . 50188 1 173 . 1 . 1 58 58 PHE N N 15 116.865 0.057 . 1 . . . . . 164 PHE N . 50188 1 174 . 1 . 1 59 59 GLY H H 1 8.971 0.014 . 1 . . . . . 165 GLY H . 50188 1 175 . 1 . 1 59 59 GLY CA C 13 45.303 0.031 . 1 . . . . . 165 GLY CA . 50188 1 176 . 1 . 1 59 59 GLY N N 15 106.298 0.052 . 1 . . . . . 165 GLY N . 50188 1 177 . 1 . 1 60 60 CYS H H 1 8.447 0.024 . 1 . . . . . 166 CYS H . 50188 1 178 . 1 . 1 60 60 CYS CA C 13 54.473 0.008 . 1 . . . . . 166 CYS CA . 50188 1 179 . 1 . 1 60 60 CYS CB C 13 31.623 0.028 . 1 . . . . . 166 CYS CB . 50188 1 180 . 1 . 1 60 60 CYS N N 15 112.898 0.054 . 1 . . . . . 166 CYS N . 50188 1 181 . 1 . 1 61 61 ARG H H 1 7.313 0.009 . 1 . . . . . 167 ARG H . 50188 1 182 . 1 . 1 61 61 ARG CA C 13 54.065 0.075 . 1 . . . . . 167 ARG CA . 50188 1 183 . 1 . 1 61 61 ARG CB C 13 29.878 0.016 . 1 . . . . . 167 ARG CB . 50188 1 184 . 1 . 1 61 61 ARG N N 15 122.355 0.032 . 1 . . . . . 167 ARG N . 50188 1 185 . 1 . 1 62 62 THR H H 1 8.533 0.006 . 1 . . . . . 168 THR H . 50188 1 186 . 1 . 1 62 62 THR CA C 13 58.883 0.011 . 1 . . . . . 168 THR CA . 50188 1 187 . 1 . 1 62 62 THR CB C 13 68.645 0.028 . 1 . . . . . 168 THR CB . 50188 1 188 . 1 . 1 62 62 THR N N 15 123.138 0.044 . 1 . . . . . 168 THR N . 50188 1 189 . 1 . 1 63 63 LYS H H 1 8.242 0.006 . 1 . . . . . 169 LYS H . 50188 1 190 . 1 . 1 63 63 LYS CA C 13 54.059 9.616 . 1 . . . . . 169 LYS CA . 50188 1 191 . 1 . 1 63 63 LYS CB C 13 34.493 0.000 . 1 . . . . . 169 LYS CB . 50188 1 192 . 1 . 1 63 63 LYS N N 15 121.239 0.072 . 1 . . . . . 169 LYS N . 50188 1 193 . 1 . 1 64 64 ILE H H 1 8.301 0.013 . 1 . . . . . 170 ILE H . 50188 1 194 . 1 . 1 64 64 ILE CA C 13 59.312 0.032 . 1 . . . . . 170 ILE CA . 50188 1 195 . 1 . 1 64 64 ILE CB C 13 38.939 0.025 . 1 . . . . . 170 ILE CB . 50188 1 196 . 1 . 1 64 64 ILE N N 15 124.176 0.058 . 1 . . . . . 170 ILE N . 50188 1 197 . 1 . 1 65 65 ASP H H 1 9.516 0.007 . 1 . . . . . 171 ASP H . 50188 1 198 . 1 . 1 65 65 ASP CA C 13 54.397 0.006 . 1 . . . . . 171 ASP CA . 50188 1 199 . 1 . 1 65 65 ASP CB C 13 39.931 0.066 . 1 . . . . . 171 ASP CB . 50188 1 200 . 1 . 1 65 65 ASP N N 15 132.988 0.040 . 1 . . . . . 171 ASP N . 50188 1 201 . 1 . 1 66 66 GLY H H 1 8.321 0.015 . 1 . . . . . 172 GLY H . 50188 1 202 . 1 . 1 66 66 GLY CA C 13 44.957 0.007 . 1 . . . . . 172 GLY CA . 50188 1 203 . 1 . 1 66 66 GLY N N 15 102.776 0.038 . 1 . . . . . 172 GLY N . 50188 1 204 . 1 . 1 67 67 GLU H H 1 7.716 0.011 . 1 . . . . . 173 GLU H . 50188 1 205 . 1 . 1 67 67 GLU CA C 13 54.421 0.001 . 1 . . . . . 173 GLU CA . 50188 1 206 . 1 . 1 67 67 GLU CB C 13 30.959 0.021 . 1 . . . . . 173 GLU CB . 50188 1 207 . 1 . 1 67 67 GLU N N 15 120.954 0.053 . 1 . . . . . 173 GLU N . 50188 1 208 . 1 . 1 68 68 ASP H H 1 8.451 0.010 . 1 . . . . . 174 ASP H . 50188 1 209 . 1 . 1 68 68 ASP CA C 13 54.272 0.040 . 1 . . . . . 174 ASP CA . 50188 1 210 . 1 . 1 68 68 ASP CB C 13 42.448 0.009 . 1 . . . . . 174 ASP CB . 50188 1 211 . 1 . 1 68 68 ASP N N 15 125.743 0.063 . 1 . . . . . 174 ASP N . 50188 1 212 . 1 . 1 69 69 CYS H H 1 8.973 0.007 . 1 . . . . . 175 CYS H . 50188 1 213 . 1 . 1 69 69 CYS CA C 13 56.698 0.009 . 1 . . . . . 175 CYS CA . 50188 1 214 . 1 . 1 69 69 CYS CB C 13 31.966 0.009 . 1 . . . . . 175 CYS CB . 50188 1 215 . 1 . 1 69 69 CYS N N 15 122.229 0.053 . 1 . . . . . 175 CYS N . 50188 1 216 . 1 . 1 70 70 LEU H H 1 8.723 0.008 . 1 . . . . . 176 LEU H . 50188 1 217 . 1 . 1 70 70 LEU CA C 13 53.650 0.004 . 1 . . . . . 176 LEU CA . 50188 1 218 . 1 . 1 70 70 LEU CB C 13 43.146 0.056 . 1 . . . . . 176 LEU CB . 50188 1 219 . 1 . 1 70 70 LEU N N 15 119.302 0.068 . 1 . . . . . 176 LEU N . 50188 1 220 . 1 . 1 71 71 LEU H H 1 9.037 0.022 . 1 . . . . . 177 LEU H . 50188 1 221 . 1 . 1 71 71 LEU CA C 13 53.121 0.032 . 1 . . . . . 177 LEU CA . 50188 1 222 . 1 . 1 71 71 LEU CB C 13 43.200 0.064 . 1 . . . . . 177 LEU CB . 50188 1 223 . 1 . 1 71 71 LEU N N 15 128.160 0.047 . 1 . . . . . 177 LEU N . 50188 1 224 . 1 . 1 72 72 THR H H 1 8.308 0.008 . 1 . . . . . 178 THR H . 50188 1 225 . 1 . 1 72 72 THR CA C 13 59.922 0.004 . 1 . . . . . 178 THR CA . 50188 1 226 . 1 . 1 72 72 THR CB C 13 68.217 0.027 . 1 . . . . . 178 THR CB . 50188 1 227 . 1 . 1 72 72 THR N N 15 122.310 0.072 . 1 . . . . . 178 THR N . 50188 1 228 . 1 . 1 73 73 ALA H H 1 8.441 0.007 . 1 . . . . . 179 ALA H . 50188 1 229 . 1 . 1 73 73 ALA CA C 13 50.047 0.039 . 1 . . . . . 179 ALA CA . 50188 1 230 . 1 . 1 73 73 ALA CB C 13 17.748 0.032 . 1 . . . . . 179 ALA CB . 50188 1 231 . 1 . 1 73 73 ALA N N 15 124.499 0.077 . 1 . . . . . 179 ALA N . 50188 1 232 . 1 . 1 74 74 HIS H H 1 7.543 0.020 . 1 . . . . . 180 HIS H . 50188 1 233 . 1 . 1 74 74 HIS CA C 13 61.918 0.076 . 1 . . . . . 180 HIS CA . 50188 1 234 . 1 . 1 74 74 HIS CB C 13 29.066 0.000 . 1 . . . . . 180 HIS CB . 50188 1 235 . 1 . 1 74 74 HIS N N 15 127.119 0.319 . 1 . . . . . 180 HIS N . 50188 1 236 . 1 . 1 75 75 HIS H H 1 9.608 0.047 . 1 . . . . . 181 HIS H . 50188 1 237 . 1 . 1 75 75 HIS CA C 13 58.230 0.057 . 1 . . . . . 181 HIS CA . 50188 1 238 . 1 . 1 75 75 HIS CB C 13 26.292 0.082 . 1 . . . . . 181 HIS CB . 50188 1 239 . 1 . 1 75 75 HIS N N 15 114.024 0.470 . 1 . . . . . 181 HIS N . 50188 1 240 . 1 . 1 76 76 VAL H H 1 6.368 0.025 . 1 . . . . . 182 VAL H . 50188 1 241 . 1 . 1 76 76 VAL HG11 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG11 . 50188 1 242 . 1 . 1 76 76 VAL HG12 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG12 . 50188 1 243 . 1 . 1 76 76 VAL HG13 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG13 . 50188 1 244 . 1 . 1 76 76 VAL HG21 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG21 . 50188 1 245 . 1 . 1 76 76 VAL HG22 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG22 . 50188 1 246 . 1 . 1 76 76 VAL HG23 H 1 0.669 0.008 . 1 . . . . . 182 VAL HG23 . 50188 1 247 . 1 . 1 76 76 VAL CA C 13 64.202 0.127 . 1 . . . . . 182 VAL CA . 50188 1 248 . 1 . 1 76 76 VAL CB C 13 31.474 0.000 . 1 . . . . . 182 VAL CB . 50188 1 249 . 1 . 1 76 76 VAL N N 15 119.000 0.154 . 1 . . . . . 182 VAL N . 50188 1 250 . 1 . 1 77 77 TRP H H 1 7.622 0.010 . 1 . . . . . 183 TRP H . 50188 1 251 . 1 . 1 77 77 TRP CA C 13 59.122 0.010 . 1 . . . . . 183 TRP CA . 50188 1 252 . 1 . 1 77 77 TRP CB C 13 29.555 0.000 . 1 . . . . . 183 TRP CB . 50188 1 253 . 1 . 1 77 77 TRP N N 15 117.524 0.085 . 1 . . . . . 183 TRP N . 50188 1 254 . 1 . 1 78 78 CYS H H 1 8.185 0.014 . 1 . . . . . 184 CYS H . 50188 1 255 . 1 . 1 78 78 CYS CA C 13 56.387 0.004 . 1 . . . . . 184 CYS CA . 50188 1 256 . 1 . 1 78 78 CYS CB C 13 26.519 0.020 . 1 . . . . . 184 CYS CB . 50188 1 257 . 1 . 1 78 78 CYS N N 15 111.536 0.037 . 1 . . . . . 184 CYS N . 50188 1 258 . 1 . 1 79 79 ASN H H 1 6.788 0.014 . 1 . . . . . 185 ASN H . 50188 1 259 . 1 . 1 79 79 ASN CA C 13 52.928 0.000 . 1 . . . . . 185 ASN CA . 50188 1 260 . 1 . 1 79 79 ASN CB C 13 39.490 0.000 . 1 . . . . . 185 ASN CB . 50188 1 261 . 1 . 1 79 79 ASN N N 15 121.376 0.035 . 1 . . . . . 185 ASN N . 50188 1 262 . 1 . 1 80 80 SER CA C 13 60.688 0.000 . 1 . . . . . 186 SER CA . 50188 1 263 . 1 . 1 80 80 SER CB C 13 62.190 0.000 . 1 . . . . . 186 SER CB . 50188 1 264 . 1 . 1 81 81 MET H H 1 8.313 0.010 . 1 . . . . . 187 MET H . 50188 1 265 . 1 . 1 81 81 MET CA C 13 54.297 0.059 . 1 . . . . . 187 MET CA . 50188 1 266 . 1 . 1 81 81 MET CB C 13 29.664 0.000 . 1 . . . . . 187 MET CB . 50188 1 267 . 1 . 1 81 81 MET N N 15 122.751 0.080 . 1 . . . . . 187 MET N . 50188 1 268 . 1 . 1 82 82 ARG H H 1 7.359 0.008 . 1 . . . . . 188 ARG H . 50188 1 269 . 1 . 1 82 82 ARG CA C 13 53.920 0.000 . 1 . . . . . 188 ARG CA . 50188 1 270 . 1 . 1 82 82 ARG CB C 13 28.251 0.000 . 1 . . . . . 188 ARG CB . 50188 1 271 . 1 . 1 82 82 ARG N N 15 121.884 0.035 . 1 . . . . . 188 ARG N . 50188 1 272 . 1 . 1 83 83 PRO CA C 13 62.670 0.000 . 1 . . . . . 189 PRO CA . 50188 1 273 . 1 . 1 83 83 PRO CB C 13 30.908 0.000 . 1 . . . . . 189 PRO CB . 50188 1 274 . 1 . 1 84 84 THR H H 1 9.616 0.014 . 1 . . . . . 190 THR H . 50188 1 275 . 1 . 1 84 84 THR CA C 13 61.411 0.008 . 1 . . . . . 190 THR CA . 50188 1 276 . 1 . 1 84 84 THR CB C 13 70.211 0.000 . 1 . . . . . 190 THR CB . 50188 1 277 . 1 . 1 84 84 THR N N 15 112.583 0.025 . 1 . . . . . 190 THR N . 50188 1 278 . 1 . 1 85 85 GLY H H 1 7.851 0.015 . 1 . . . . . 191 GLY H . 50188 1 279 . 1 . 1 85 85 GLY CA C 13 45.437 0.008 . 1 . . . . . 191 GLY CA . 50188 1 280 . 1 . 1 85 85 GLY N N 15 113.649 0.099 . 1 . . . . . 191 GLY N . 50188 1 281 . 1 . 1 86 86 LEU H H 1 8.535 0.000 . 1 . . . . . 192 LEU H . 50188 1 282 . 1 . 1 86 86 LEU CA C 13 52.639 0.022 . 1 . . . . . 192 LEU CA . 50188 1 283 . 1 . 1 86 86 LEU CB C 13 44.558 0.000 . 1 . . . . . 192 LEU CB . 50188 1 284 . 1 . 1 86 86 LEU N N 15 120.146 0.044 . 1 . . . . . 192 LEU N . 50188 1 285 . 1 . 1 87 87 ALA H H 1 9.143 0.006 . 1 . . . . . 193 ALA H . 50188 1 286 . 1 . 1 87 87 ALA CA C 13 50.234 0.008 . 1 . . . . . 193 ALA CA . 50188 1 287 . 1 . 1 87 87 ALA CB C 13 23.062 0.014 . 1 . . . . . 193 ALA CB . 50188 1 288 . 1 . 1 87 87 ALA N N 15 123.877 0.045 . 1 . . . . . 193 ALA N . 50188 1 289 . 1 . 1 88 88 LYS H H 1 8.484 0.021 . 1 . . . . . 194 LYS H . 50188 1 290 . 1 . 1 88 88 LYS CA C 13 56.882 0.013 . 1 . . . . . 194 LYS CA . 50188 1 291 . 1 . 1 88 88 LYS CB C 13 36.322 0.028 . 1 . . . . . 194 LYS CB . 50188 1 292 . 1 . 1 88 88 LYS N N 15 120.870 0.071 . 1 . . . . . 194 LYS N . 50188 1 293 . 1 . 1 89 89 ALA H H 1 9.985 0.017 . 1 . . . . . 195 ALA H . 50188 1 294 . 1 . 1 89 89 ALA CA C 13 52.828 0.004 . 1 . . . . . 195 ALA CA . 50188 1 295 . 1 . 1 89 89 ALA CB C 13 16.834 0.081 . 1 . . . . . 195 ALA CB . 50188 1 296 . 1 . 1 89 89 ALA N N 15 132.482 0.056 . 1 . . . . . 195 ALA N . 50188 1 297 . 1 . 1 90 90 GLY H H 1 8.500 0.013 . 1 . . . . . 196 GLY H . 50188 1 298 . 1 . 1 90 90 GLY CA C 13 45.013 0.015 . 1 . . . . . 196 GLY CA . 50188 1 299 . 1 . 1 90 90 GLY N N 15 106.367 0.082 . 1 . . . . . 196 GLY N . 50188 1 300 . 1 . 1 91 91 LYS H H 1 8.045 0.011 . 1 . . . . . 197 LYS H . 50188 1 301 . 1 . 1 91 91 LYS CA C 13 54.643 0.001 . 1 . . . . . 197 LYS CA . 50188 1 302 . 1 . 1 91 91 LYS CB C 13 33.754 0.017 . 1 . . . . . 197 LYS CB . 50188 1 303 . 1 . 1 91 91 LYS N N 15 122.416 0.080 . 1 . . . . . 197 LYS N . 50188 1 304 . 1 . 1 92 92 GLN H H 1 8.322 0.007 . 1 . . . . . 198 GLN H . 50188 1 305 . 1 . 1 92 92 GLN CA C 13 54.340 0.043 . 1 . . . . . 198 GLN CA . 50188 1 306 . 1 . 1 92 92 GLN CB C 13 31.621 0.033 . 1 . . . . . 198 GLN CB . 50188 1 307 . 1 . 1 92 92 GLN N N 15 119.200 0.082 . 1 . . . . . 198 GLN N . 50188 1 308 . 1 . 1 93 93 VAL H H 1 8.698 0.014 . 1 . . . . . 199 VAL H . 50188 1 309 . 1 . 1 93 93 VAL HG11 H 1 0.651 0.000 . 2 . . . . . 199 VAL HG11 . 50188 1 310 . 1 . 1 93 93 VAL HG12 H 1 0.651 0.000 . 2 . . . . . 199 VAL HG12 . 50188 1 311 . 1 . 1 93 93 VAL HG13 H 1 0.651 0.000 . 2 . . . . . 199 VAL HG13 . 50188 1 312 . 1 . 1 93 93 VAL HG21 H 1 0.862 0.000 . 2 . . . . . 199 VAL HG21 . 50188 1 313 . 1 . 1 93 93 VAL HG22 H 1 0.862 0.000 . 2 . . . . . 199 VAL HG22 . 50188 1 314 . 1 . 1 93 93 VAL HG23 H 1 0.862 0.000 . 2 . . . . . 199 VAL HG23 . 50188 1 315 . 1 . 1 93 93 VAL CA C 13 59.561 0.008 . 1 . . . . . 199 VAL CA . 50188 1 316 . 1 . 1 93 93 VAL CB C 13 34.504 0.004 . 1 . . . . . 199 VAL CB . 50188 1 317 . 1 . 1 93 93 VAL N N 15 120.077 0.076 . 1 . . . . . 199 VAL N . 50188 1 318 . 1 . 1 94 94 SER H H 1 8.526 0.006 . 1 . . . . . 200 SER H . 50188 1 319 . 1 . 1 94 94 SER CA C 13 58.658 0.026 . 1 . . . . . 200 SER CA . 50188 1 320 . 1 . 1 94 94 SER CB C 13 62.878 0.010 . 1 . . . . . 200 SER CB . 50188 1 321 . 1 . 1 94 94 SER N N 15 120.516 0.067 . 1 . . . . . 200 SER N . 50188 1 322 . 1 . 1 95 95 VAL H H 1 7.076 0.014 . 1 . . . . . 201 VAL H . 50188 1 323 . 1 . 1 95 95 VAL HG11 H 1 0.260 0.000 . 2 . . . . . 201 VAL HG11 . 50188 1 324 . 1 . 1 95 95 VAL HG12 H 1 0.260 0.000 . 2 . . . . . 201 VAL HG12 . 50188 1 325 . 1 . 1 95 95 VAL HG13 H 1 0.260 0.000 . 2 . . . . . 201 VAL HG13 . 50188 1 326 . 1 . 1 95 95 VAL HG21 H 1 0.463 0.000 . 2 . . . . . 201 VAL HG21 . 50188 1 327 . 1 . 1 95 95 VAL HG22 H 1 0.463 0.000 . 2 . . . . . 201 VAL HG22 . 50188 1 328 . 1 . 1 95 95 VAL HG23 H 1 0.463 0.000 . 2 . . . . . 201 VAL HG23 . 50188 1 329 . 1 . 1 95 95 VAL CA C 13 61.827 0.000 . 1 . . . . . 201 VAL CA . 50188 1 330 . 1 . 1 95 95 VAL N N 15 123.269 0.117 . 1 . . . . . 201 VAL N . 50188 1 331 . 1 . 1 96 96 GLU CA C 13 59.164 0.002 . 1 . . . . . 202 GLU CA . 50188 1 332 . 1 . 1 96 96 GLU CB C 13 28.275 0.005 . 1 . . . . . 202 GLU CB . 50188 1 333 . 1 . 1 97 97 ASP H H 1 7.633 0.011 . 1 . . . . . 203 ASP H . 50188 1 334 . 1 . 1 97 97 ASP CA C 13 57.417 0.000 . 1 . . . . . 203 ASP CA . 50188 1 335 . 1 . 1 97 97 ASP CB C 13 37.882 0.000 . 1 . . . . . 203 ASP CB . 50188 1 336 . 1 . 1 97 97 ASP N N 15 115.076 0.058 . 1 . . . . . 203 ASP N . 50188 1 337 . 1 . 1 98 98 TRP CA C 13 58.809 0.000 . 1 . . . . . 204 TRP CA . 50188 1 338 . 1 . 1 99 99 GLU H H 1 8.144 0.005 . 1 . . . . . 205 GLU H . 50188 1 339 . 1 . 1 99 99 GLU CA C 13 57.357 0.009 . 1 . . . . . 205 GLU CA . 50188 1 340 . 1 . 1 99 99 GLU CB C 13 28.393 0.018 . 1 . . . . . 205 GLU CB . 50188 1 341 . 1 . 1 99 99 GLU N N 15 110.449 0.033 . 1 . . . . . 205 GLU N . 50188 1 342 . 1 . 1 100 100 ILE H H 1 7.394 0.006 . 1 . . . . . 206 ILE H . 50188 1 343 . 1 . 1 100 100 ILE CA C 13 53.385 0.007 . 1 . . . . . 206 ILE CA . 50188 1 344 . 1 . 1 100 100 ILE CB C 13 42.601 0.010 . 1 . . . . . 206 ILE CB . 50188 1 345 . 1 . 1 100 100 ILE N N 15 122.914 0.050 . 1 . . . . . 206 ILE N . 50188 1 346 . 1 . 1 101 101 SER H H 1 8.402 0.006 . 1 . . . . . 207 SER H . 50188 1 347 . 1 . 1 101 101 SER CA C 13 60.135 0.018 . 1 . . . . . 207 SER CA . 50188 1 348 . 1 . 1 101 101 SER CB C 13 62.743 0.028 . 1 . . . . . 207 SER CB . 50188 1 349 . 1 . 1 101 101 SER N N 15 116.804 0.014 . 1 . . . . . 207 SER N . 50188 1 350 . 1 . 1 102 102 MET H H 1 7.191 0.016 . 1 . . . . . 208 MET H . 50188 1 351 . 1 . 1 102 102 MET CA C 13 54.043 0.010 . 1 . . . . . 208 MET CA . 50188 1 352 . 1 . 1 102 102 MET CB C 13 38.965 0.018 . 1 . . . . . 208 MET CB . 50188 1 353 . 1 . 1 102 102 MET N N 15 116.211 0.028 . 1 . . . . . 208 MET N . 50188 1 354 . 1 . 1 103 103 SER H H 1 7.802 0.013 . 1 . . . . . 209 SER H . 50188 1 355 . 1 . 1 103 103 SER CA C 13 57.660 0.004 . 1 . . . . . 209 SER CA . 50188 1 356 . 1 . 1 103 103 SER CB C 13 64.514 0.024 . 1 . . . . . 209 SER CB . 50188 1 357 . 1 . 1 103 103 SER N N 15 111.674 0.043 . 1 . . . . . 209 SER N . 50188 1 358 . 1 . 1 104 104 SER H H 1 7.838 0.022 . 1 . . . . . 210 SER H . 50188 1 359 . 1 . 1 104 104 SER CA C 13 57.522 0.043 . 1 . . . . . 210 SER CA . 50188 1 360 . 1 . 1 104 104 SER CB C 13 65.471 0.108 . 1 . . . . . 210 SER CB . 50188 1 361 . 1 . 1 104 104 SER N N 15 111.429 0.048 . 1 . . . . . 210 SER N . 50188 1 362 . 1 . 1 105 105 SER H H 1 8.496 0.001 . 1 . . . . . 211 SER H . 50188 1 363 . 1 . 1 105 105 SER CA C 13 56.429 0.027 . 1 . . . . . 211 SER CA . 50188 1 364 . 1 . 1 105 105 SER CB C 13 62.907 0.000 . 1 . . . . . 211 SER CB . 50188 1 365 . 1 . 1 105 105 SER N N 15 120.326 0.100 . 1 . . . . . 211 SER N . 50188 1 366 . 1 . 1 106 106 ASP H H 1 8.027 0.012 . 1 . . . . . 212 ASP H . 50188 1 367 . 1 . 1 106 106 ASP CA C 13 55.514 0.007 . 1 . . . . . 212 ASP CA . 50188 1 368 . 1 . 1 106 106 ASP CB C 13 41.535 0.056 . 1 . . . . . 212 ASP CB . 50188 1 369 . 1 . 1 106 106 ASP N N 15 125.248 0.035 . 1 . . . . . 212 ASP N . 50188 1 370 . 1 . 1 107 107 LYS H H 1 8.905 0.007 . 1 . . . . . 213 LYS H . 50188 1 371 . 1 . 1 107 107 LYS CA C 13 59.490 0.009 . 1 . . . . . 213 LYS CA . 50188 1 372 . 1 . 1 107 107 LYS CB C 13 31.519 0.002 . 1 . . . . . 213 LYS CB . 50188 1 373 . 1 . 1 107 107 LYS N N 15 126.192 0.041 . 1 . . . . . 213 LYS N . 50188 1 374 . 1 . 1 108 108 MET H H 1 8.503 0.011 . 1 . . . . . 214 MET H . 50188 1 375 . 1 . 1 108 108 MET CA C 13 56.571 0.017 . 1 . . . . . 214 MET CA . 50188 1 376 . 1 . 1 108 108 MET CB C 13 32.460 0.055 . 1 . . . . . 214 MET CB . 50188 1 377 . 1 . 1 108 108 MET N N 15 114.588 0.059 . 1 . . . . . 214 MET N . 50188 1 378 . 1 . 1 109 109 LEU H H 1 7.129 0.019 . 1 . . . . . 215 LEU H . 50188 1 379 . 1 . 1 109 109 LEU HD11 H 1 1.111 0.000 . 2 . . . . . 215 LEU HD11 . 50188 1 380 . 1 . 1 109 109 LEU HD12 H 1 1.111 0.000 . 2 . . . . . 215 LEU HD12 . 50188 1 381 . 1 . 1 109 109 LEU HD13 H 1 1.111 0.000 . 2 . . . . . 215 LEU HD13 . 50188 1 382 . 1 . 1 109 109 LEU HD21 H 1 0.595 0.000 . 2 . . . . . 215 LEU HD21 . 50188 1 383 . 1 . 1 109 109 LEU HD22 H 1 0.595 0.000 . 2 . . . . . 215 LEU HD22 . 50188 1 384 . 1 . 1 109 109 LEU HD23 H 1 0.595 0.000 . 2 . . . . . 215 LEU HD23 . 50188 1 385 . 1 . 1 109 109 LEU CA C 13 55.254 0.010 . 1 . . . . . 215 LEU CA . 50188 1 386 . 1 . 1 109 109 LEU CB C 13 42.024 0.009 . 1 . . . . . 215 LEU CB . 50188 1 387 . 1 . 1 109 109 LEU N N 15 114.680 0.041 . 1 . . . . . 215 LEU N . 50188 1 388 . 1 . 1 110 110 ASP H H 1 7.720 0.017 . 1 . . . . . 216 ASP H . 50188 1 389 . 1 . 1 110 110 ASP CA C 13 53.813 0.049 . 1 . . . . . 216 ASP CA . 50188 1 390 . 1 . 1 110 110 ASP CB C 13 39.374 0.066 . 1 . . . . . 216 ASP CB . 50188 1 391 . 1 . 1 110 110 ASP N N 15 113.063 0.036 . 1 . . . . . 216 ASP N . 50188 1 392 . 1 . 1 111 111 PHE H H 1 7.655 0.027 . 1 . . . . . 217 PHE H . 50188 1 393 . 1 . 1 111 111 PHE CA C 13 54.876 0.016 . 1 . . . . . 217 PHE CA . 50188 1 394 . 1 . 1 111 111 PHE CB C 13 42.478 0.057 . 1 . . . . . 217 PHE CB . 50188 1 395 . 1 . 1 111 111 PHE N N 15 110.122 0.044 . 1 . . . . . 217 PHE N . 50188 1 396 . 1 . 1 112 112 ALA H H 1 8.821 0.004 . 1 . . . . . 218 ALA H . 50188 1 397 . 1 . 1 112 112 ALA CA C 13 51.626 0.017 . 1 . . . . . 218 ALA CA . 50188 1 398 . 1 . 1 112 112 ALA CB C 13 20.690 0.044 . 1 . . . . . 218 ALA CB . 50188 1 399 . 1 . 1 112 112 ALA N N 15 123.790 0.025 . 1 . . . . . 218 ALA N . 50188 1 400 . 1 . 1 113 113 ILE H H 1 8.073 0.017 . 1 . . . . . 219 ILE H . 50188 1 401 . 1 . 1 113 113 ILE CA C 13 58.138 0.020 . 1 . . . . . 219 ILE CA . 50188 1 402 . 1 . 1 113 113 ILE N N 15 121.632 0.051 . 1 . . . . . 219 ILE N . 50188 1 403 . 1 . 1 117 117 PRO CA C 13 62.185 0.000 . 1 . . . . . 223 PRO CA . 50188 1 404 . 1 . 1 117 117 PRO CB C 13 31.734 0.000 . 1 . . . . . 223 PRO CB . 50188 1 405 . 1 . 1 118 118 THR H H 1 8.340 0.006 . 1 . . . . . 224 THR H . 50188 1 406 . 1 . 1 118 118 THR CA C 13 65.971 0.000 . 1 . . . . . 224 THR CA . 50188 1 407 . 1 . 1 118 118 THR CB C 13 68.169 0.000 . 1 . . . . . 224 THR CB . 50188 1 408 . 1 . 1 118 118 THR N N 15 117.667 0.046 . 1 . . . . . 224 THR N . 50188 1 409 . 1 . 1 119 119 HIS CA C 13 58.157 0.013 . 1 . . . . . 225 HIS CA . 50188 1 410 . 1 . 1 119 119 HIS CB C 13 29.076 0.289 . 1 . . . . . 225 HIS CB . 50188 1 411 . 1 . 1 120 120 VAL H H 1 6.746 0.019 . 1 . . . . . 226 VAL H . 50188 1 412 . 1 . 1 120 120 VAL CA C 13 65.454 0.005 . 1 . . . . . 226 VAL CA . 50188 1 413 . 1 . 1 120 120 VAL CB C 13 29.473 0.000 . 1 . . . . . 226 VAL CB . 50188 1 414 . 1 . 1 120 120 VAL N N 15 123.366 0.038 . 1 . . . . . 226 VAL N . 50188 1 415 . 1 . 1 121 121 TRP H H 1 6.504 0.018 . 1 . . . . . 227 TRP H . 50188 1 416 . 1 . 1 121 121 TRP CA C 13 58.123 0.006 . 1 . . . . . 227 TRP CA . 50188 1 417 . 1 . 1 121 121 TRP CB C 13 30.001 0.033 . 1 . . . . . 227 TRP CB . 50188 1 418 . 1 . 1 121 121 TRP N N 15 116.619 0.038 . 1 . . . . . 227 TRP N . 50188 1 419 . 1 . 1 122 122 SER H H 1 8.063 0.011 . 1 . . . . . 228 SER H . 50188 1 420 . 1 . 1 122 122 SER CA C 13 60.742 0.008 . 1 . . . . . 228 SER CA . 50188 1 421 . 1 . 1 122 122 SER CB C 13 62.034 0.010 . 1 . . . . . 228 SER CB . 50188 1 422 . 1 . 1 122 122 SER N N 15 112.978 0.052 . 1 . . . . . 228 SER N . 50188 1 423 . 1 . 1 123 123 LYS H H 1 7.649 0.017 . 1 . . . . . 229 LYS H . 50188 1 424 . 1 . 1 123 123 LYS CA C 13 58.610 0.009 . 1 . . . . . 229 LYS CA . 50188 1 425 . 1 . 1 123 123 LYS CB C 13 31.701 0.018 . 1 . . . . . 229 LYS CB . 50188 1 426 . 1 . 1 123 123 LYS N N 15 122.553 0.106 . 1 . . . . . 229 LYS N . 50188 1 427 . 1 . 1 124 124 LEU H H 1 7.463 0.016 . 1 . . . . . 230 LEU H . 50188 1 428 . 1 . 1 124 124 LEU CA C 13 54.672 0.006 . 1 . . . . . 230 LEU CA . 50188 1 429 . 1 . 1 124 124 LEU CB C 13 44.174 0.014 . 1 . . . . . 230 LEU CB . 50188 1 430 . 1 . 1 124 124 LEU N N 15 114.956 0.039 . 1 . . . . . 230 LEU N . 50188 1 431 . 1 . 1 125 125 GLY H H 1 7.796 0.019 . 1 . . . . . 231 GLY H . 50188 1 432 . 1 . 1 125 125 GLY CA C 13 45.902 0.014 . 1 . . . . . 231 GLY CA . 50188 1 433 . 1 . 1 125 125 GLY N N 15 108.820 0.043 . 1 . . . . . 231 GLY N . 50188 1 434 . 1 . 1 126 126 VAL H H 1 7.572 0.014 . 1 . . . . . 232 VAL H . 50188 1 435 . 1 . 1 126 126 VAL HG11 H 1 0.300 0.000 . 2 . . . . . 232 VAL HG11 . 50188 1 436 . 1 . 1 126 126 VAL HG12 H 1 0.300 0.000 . 2 . . . . . 232 VAL HG12 . 50188 1 437 . 1 . 1 126 126 VAL HG13 H 1 0.300 0.000 . 2 . . . . . 232 VAL HG13 . 50188 1 438 . 1 . 1 126 126 VAL HG21 H 1 0.839 0.000 . 2 . . . . . 232 VAL HG21 . 50188 1 439 . 1 . 1 126 126 VAL HG22 H 1 0.839 0.000 . 2 . . . . . 232 VAL HG22 . 50188 1 440 . 1 . 1 126 126 VAL HG23 H 1 0.839 0.000 . 2 . . . . . 232 VAL HG23 . 50188 1 441 . 1 . 1 126 126 VAL CA C 13 60.675 0.005 . 1 . . . . . 232 VAL CA . 50188 1 442 . 1 . 1 126 126 VAL CB C 13 32.260 0.035 . 1 . . . . . 232 VAL CB . 50188 1 443 . 1 . 1 126 126 VAL N N 15 119.688 0.039 . 1 . . . . . 232 VAL N . 50188 1 444 . 1 . 1 127 127 LYS H H 1 7.109 0.004 . 1 . . . . . 233 LYS H . 50188 1 445 . 1 . 1 127 127 LYS CA C 13 53.668 0.008 . 1 . . . . . 233 LYS CA . 50188 1 446 . 1 . 1 127 127 LYS CB C 13 33.379 0.022 . 1 . . . . . 233 LYS CB . 50188 1 447 . 1 . 1 127 127 LYS N N 15 128.796 0.034 . 1 . . . . . 233 LYS N . 50188 1 448 . 1 . 1 128 128 SER H H 1 7.981 0.000 . 1 . . . . . 234 SER H . 50188 1 449 . 1 . 1 128 128 SER CA C 13 57.042 0.018 . 1 . . . . . 234 SER CA . 50188 1 450 . 1 . 1 128 128 SER CB C 13 63.087 0.028 . 1 . . . . . 234 SER CB . 50188 1 451 . 1 . 1 128 128 SER N N 15 113.880 0.034 . 1 . . . . . 234 SER N . 50188 1 452 . 1 . 1 129 129 THR H H 1 8.279 0.007 . 1 . . . . . 235 THR H . 50188 1 453 . 1 . 1 129 129 THR CA C 13 57.970 0.000 . 1 . . . . . 235 THR CA . 50188 1 454 . 1 . 1 129 129 THR CB C 13 72.095 0.000 . 1 . . . . . 235 THR CB . 50188 1 455 . 1 . 1 129 129 THR N N 15 123.101 0.012 . 1 . . . . . 235 THR N . 50188 1 456 . 1 . 1 130 130 PRO CA C 13 61.936 0.002 . 1 . . . . . 236 PRO CA . 50188 1 457 . 1 . 1 130 130 PRO CB C 13 31.449 0.015 . 1 . . . . . 236 PRO CB . 50188 1 458 . 1 . 1 131 131 LEU H H 1 8.492 0.006 . 1 . . . . . 237 LEU H . 50188 1 459 . 1 . 1 131 131 LEU CA C 13 54.192 0.009 . 1 . . . . . 237 LEU CA . 50188 1 460 . 1 . 1 131 131 LEU CB C 13 41.178 0.018 . 1 . . . . . 237 LEU CB . 50188 1 461 . 1 . 1 131 131 LEU N N 15 121.759 0.062 . 1 . . . . . 237 LEU N . 50188 1 462 . 1 . 1 132 132 VAL H H 1 8.483 0.007 . 1 . . . . . 238 VAL H . 50188 1 463 . 1 . 1 132 132 VAL CA C 13 58.782 0.010 . 1 . . . . . 238 VAL CA . 50188 1 464 . 1 . 1 132 132 VAL CB C 13 33.487 0.021 . 1 . . . . . 238 VAL CB . 50188 1 465 . 1 . 1 132 132 VAL N N 15 118.901 0.043 . 1 . . . . . 238 VAL N . 50188 1 466 . 1 . 1 133 133 CYS H H 1 7.441 0.006 . 1 . . . . . 239 CYS H . 50188 1 467 . 1 . 1 133 133 CYS CA C 13 56.389 0.000 . 1 . . . . . 239 CYS CA . 50188 1 468 . 1 . 1 133 133 CYS N N 15 120.961 0.066 . 1 . . . . . 239 CYS N . 50188 1 469 . 1 . 1 134 134 PRO CA C 13 63.115 0.010 . 1 . . . . . 240 PRO CA . 50188 1 470 . 1 . 1 134 134 PRO CB C 13 31.541 0.000 . 1 . . . . . 240 PRO CB . 50188 1 471 . 1 . 1 135 135 SER H H 1 9.443 0.011 . 1 . . . . . 241 SER H . 50188 1 472 . 1 . 1 135 135 SER CA C 13 56.289 0.000 . 1 . . . . . 241 SER CA . 50188 1 473 . 1 . 1 135 135 SER CB C 13 64.749 0.000 . 1 . . . . . 241 SER CB . 50188 1 474 . 1 . 1 135 135 SER N N 15 119.915 0.051 . 1 . . . . . 241 SER N . 50188 1 475 . 1 . 1 138 138 ASP CA C 13 53.962 0.002 . 1 . . . . . 244 ASP CA . 50188 1 476 . 1 . 1 138 138 ASP CB C 13 42.800 0.019 . 1 . . . . . 244 ASP CB . 50188 1 477 . 1 . 1 139 139 VAL H H 1 8.454 0.008 . 1 . . . . . 245 VAL H . 50188 1 478 . 1 . 1 139 139 VAL CA C 13 63.350 0.009 . 1 . . . . . 245 VAL CA . 50188 1 479 . 1 . 1 139 139 VAL CB C 13 30.580 0.026 . 1 . . . . . 245 VAL CB . 50188 1 480 . 1 . 1 139 139 VAL N N 15 124.531 0.075 . 1 . . . . . 245 VAL N . 50188 1 481 . 1 . 1 140 140 ILE H H 1 8.351 0.017 . 1 . . . . . 246 ILE H . 50188 1 482 . 1 . 1 140 140 ILE CA C 13 57.459 0.009 . 1 . . . . . 246 ILE CA . 50188 1 483 . 1 . 1 140 140 ILE CB C 13 41.105 0.041 . 1 . . . . . 246 ILE CB . 50188 1 484 . 1 . 1 140 140 ILE N N 15 124.782 0.094 . 1 . . . . . 246 ILE N . 50188 1 485 . 1 . 1 141 141 THR H H 1 8.748 0.011 . 1 . . . . . 247 THR H . 50188 1 486 . 1 . 1 141 141 THR CA C 13 60.976 0.007 . 1 . . . . . 247 THR CA . 50188 1 487 . 1 . 1 141 141 THR CB C 13 70.758 0.039 . 1 . . . . . 247 THR CB . 50188 1 488 . 1 . 1 141 141 THR N N 15 118.114 0.032 . 1 . . . . . 247 THR N . 50188 1 489 . 1 . 1 142 142 CYS H H 1 8.374 0.018 . 1 . . . . . 248 CYS H . 50188 1 490 . 1 . 1 142 142 CYS CA C 13 57.025 0.006 . 1 . . . . . 248 CYS CA . 50188 1 491 . 1 . 1 142 142 CYS CB C 13 31.074 0.041 . 1 . . . . . 248 CYS CB . 50188 1 492 . 1 . 1 142 142 CYS N N 15 121.530 0.072 . 1 . . . . . 248 CYS N . 50188 1 493 . 1 . 1 143 143 TYR H H 1 9.800 0.006 . 1 . . . . . 249 TYR H . 50188 1 494 . 1 . 1 143 143 TYR CA C 13 55.550 0.047 . 1 . . . . . 249 TYR CA . 50188 1 495 . 1 . 1 143 143 TYR CB C 13 41.644 0.014 . 1 . . . . . 249 TYR CB . 50188 1 496 . 1 . 1 143 143 TYR N N 15 122.009 0.148 . 1 . . . . . 249 TYR N . 50188 1 497 . 1 . 1 144 144 GLY H H 1 7.184 0.019 . 1 . . . . . 250 GLY H . 50188 1 498 . 1 . 1 144 144 GLY CA C 13 43.189 0.016 . 1 . . . . . 250 GLY CA . 50188 1 499 . 1 . 1 144 144 GLY N N 15 105.560 0.015 . 1 . . . . . 250 GLY N . 50188 1 500 . 1 . 1 145 145 GLY H H 1 5.811 0.010 . 1 . . . . . 251 GLY H . 50188 1 501 . 1 . 1 145 145 GLY CA C 13 44.246 0.000 . 1 . . . . . 251 GLY CA . 50188 1 502 . 1 . 1 145 145 GLY N N 15 103.891 0.108 . 1 . . . . . 251 GLY N . 50188 1 503 . 1 . 1 146 146 SER CA C 13 56.331 0.000 . 1 . . . . . 252 SER CA . 50188 1 504 . 1 . 1 146 146 SER CB C 13 65.367 0.000 . 1 . . . . . 252 SER CB . 50188 1 505 . 1 . 1 147 147 SER H H 1 9.112 0.006 . 1 . . . . . 253 SER H . 50188 1 506 . 1 . 1 147 147 SER CA C 13 56.542 0.011 . 1 . . . . . 253 SER CA . 50188 1 507 . 1 . 1 147 147 SER CB C 13 65.638 0.089 . 1 . . . . . 253 SER CB . 50188 1 508 . 1 . 1 147 147 SER N N 15 118.378 0.025 . 1 . . . . . 253 SER N . 50188 1 509 . 1 . 1 148 148 SER H H 1 8.839 0.003 . 1 . . . . . 254 SER H . 50188 1 510 . 1 . 1 148 148 SER CA C 13 58.769 1.653 . 1 . . . . . 254 SER CA . 50188 1 511 . 1 . 1 148 148 SER CB C 13 64.303 1.778 . 1 . . . . . 254 SER CB . 50188 1 512 . 1 . 1 148 148 SER N N 15 118.099 0.012 . 1 . . . . . 254 SER N . 50188 1 513 . 1 . 1 149 149 ASP H H 1 8.220 0.021 . 1 . . . . . 255 ASP H . 50188 1 514 . 1 . 1 149 149 ASP CA C 13 53.357 0.045 . 1 . . . . . 255 ASP CA . 50188 1 515 . 1 . 1 149 149 ASP CB C 13 39.745 0.025 . 1 . . . . . 255 ASP CB . 50188 1 516 . 1 . 1 149 149 ASP N N 15 118.865 0.080 . 1 . . . . . 255 ASP N . 50188 1 517 . 1 . 1 150 150 CYS H H 1 7.423 0.013 . 1 . . . . . 256 CYS H . 50188 1 518 . 1 . 1 150 150 CYS CA C 13 57.191 0.009 . 1 . . . . . 256 CYS CA . 50188 1 519 . 1 . 1 150 150 CYS CB C 13 27.097 0.008 . 1 . . . . . 256 CYS CB . 50188 1 520 . 1 . 1 150 150 CYS N N 15 121.731 0.075 . 1 . . . . . 256 CYS N . 50188 1 521 . 1 . 1 151 151 LEU H H 1 8.588 0.012 . 1 . . . . . 257 LEU H . 50188 1 522 . 1 . 1 151 151 LEU HD11 H 1 0.825 0.004 . 2 . . . . . 257 LEU HD11 . 50188 1 523 . 1 . 1 151 151 LEU HD12 H 1 0.825 0.004 . 2 . . . . . 257 LEU HD12 . 50188 1 524 . 1 . 1 151 151 LEU HD13 H 1 0.825 0.004 . 2 . . . . . 257 LEU HD13 . 50188 1 525 . 1 . 1 151 151 LEU HD21 H 1 0.821 0.000 . 2 . . . . . 257 LEU HD21 . 50188 1 526 . 1 . 1 151 151 LEU HD22 H 1 0.821 0.000 . 2 . . . . . 257 LEU HD22 . 50188 1 527 . 1 . 1 151 151 LEU HD23 H 1 0.821 0.000 . 2 . . . . . 257 LEU HD23 . 50188 1 528 . 1 . 1 151 151 LEU CA C 13 54.095 0.015 . 1 . . . . . 257 LEU CA . 50188 1 529 . 1 . 1 151 151 LEU CB C 13 42.955 0.082 . 1 . . . . . 257 LEU CB . 50188 1 530 . 1 . 1 151 151 LEU N N 15 123.059 0.082 . 1 . . . . . 257 LEU N . 50188 1 531 . 1 . 1 152 152 MET H H 1 8.869 0.015 . 1 . . . . . 258 MET H . 50188 1 532 . 1 . 1 152 152 MET CA C 13 52.952 0.010 . 1 . . . . . 258 MET CA . 50188 1 533 . 1 . 1 152 152 MET CB C 13 35.373 0.000 . 1 . . . . . 258 MET CB . 50188 1 534 . 1 . 1 152 152 MET N N 15 120.001 0.021 . 1 . . . . . 258 MET N . 50188 1 535 . 1 . 1 153 153 SER H H 1 9.008 0.005 . 1 . . . . . 259 SER H . 50188 1 536 . 1 . 1 153 153 SER CA C 13 55.283 0.023 . 1 . . . . . 259 SER CA . 50188 1 537 . 1 . 1 153 153 SER CB C 13 66.835 0.014 . 1 . . . . . 259 SER CB . 50188 1 538 . 1 . 1 153 153 SER N N 15 112.434 0.059 . 1 . . . . . 259 SER N . 50188 1 539 . 1 . 1 154 154 GLY H H 1 8.744 0.012 . 1 . . . . . 260 GLY H . 50188 1 540 . 1 . 1 154 154 GLY CA C 13 43.943 0.007 . 1 . . . . . 260 GLY CA . 50188 1 541 . 1 . 1 154 154 GLY N N 15 108.984 0.047 . 1 . . . . . 260 GLY N . 50188 1 542 . 1 . 1 155 155 VAL H H 1 8.163 0.009 . 1 . . . . . 261 VAL H . 50188 1 543 . 1 . 1 155 155 VAL HG11 H 1 0.804 0.009 . 1 . . . . . 261 VAL HG11 . 50188 1 544 . 1 . 1 155 155 VAL HG12 H 1 0.804 0.009 . 1 . . . . . 261 VAL HG12 . 50188 1 545 . 1 . 1 155 155 VAL HG13 H 1 0.804 0.009 . 1 . . . . . 261 VAL HG13 . 50188 1 546 . 1 . 1 155 155 VAL CA C 13 59.790 0.029 . 1 . . . . . 261 VAL CA . 50188 1 547 . 1 . 1 155 155 VAL CB C 13 33.808 0.005 . 1 . . . . . 261 VAL CB . 50188 1 548 . 1 . 1 155 155 VAL N N 15 120.557 0.126 . 1 . . . . . 261 VAL N . 50188 1 549 . 1 . 1 156 156 GLY H H 1 8.583 0.013 . 1 . . . . . 262 GLY H . 50188 1 550 . 1 . 1 156 156 GLY CA C 13 45.596 0.010 . 1 . . . . . 262 GLY CA . 50188 1 551 . 1 . 1 156 156 GLY N N 15 112.150 0.060 . 1 . . . . . 262 GLY N . 50188 1 552 . 1 . 1 157 157 SER H H 1 8.427 0.010 . 1 . . . . . 263 SER H . 50188 1 553 . 1 . 1 157 157 SER CA C 13 56.425 0.004 . 1 . . . . . 263 SER CA . 50188 1 554 . 1 . 1 157 157 SER CB C 13 65.438 0.005 . 1 . . . . . 263 SER CB . 50188 1 555 . 1 . 1 157 157 SER N N 15 118.337 0.051 . 1 . . . . . 263 SER N . 50188 1 556 . 1 . 1 158 158 SER H H 1 9.235 0.006 . 1 . . . . . 264 SER H . 50188 1 557 . 1 . 1 158 158 SER CA C 13 56.471 0.012 . 1 . . . . . 264 SER CA . 50188 1 558 . 1 . 1 158 158 SER CB C 13 66.131 0.081 . 1 . . . . . 264 SER CB . 50188 1 559 . 1 . 1 158 158 SER N N 15 117.863 0.027 . 1 . . . . . 264 SER N . 50188 1 560 . 1 . 1 159 159 SER H H 1 8.801 0.015 . 1 . . . . . 265 SER H . 50188 1 561 . 1 . 1 159 159 SER CA C 13 56.836 0.000 . 1 . . . . . 265 SER CA . 50188 1 562 . 1 . 1 159 159 SER CB C 13 65.875 0.000 . 1 . . . . . 265 SER CB . 50188 1 563 . 1 . 1 159 159 SER N N 15 117.155 0.042 . 1 . . . . . 265 SER N . 50188 1 564 . 1 . 1 161 161 SER CA C 13 58.943 0.010 . 1 . . . . . 267 SER CA . 50188 1 565 . 1 . 1 161 161 SER CB C 13 62.913 0.000 . 1 . . . . . 267 SER CB . 50188 1 566 . 1 . 1 162 162 GLU H H 1 7.030 0.005 . 1 . . . . . 268 GLU H . 50188 1 567 . 1 . 1 162 162 GLU CA C 13 54.952 0.000 . 1 . . . . . 268 GLU CA . 50188 1 568 . 1 . 1 162 162 GLU CB C 13 38.908 0.000 . 1 . . . . . 268 GLU CB . 50188 1 569 . 1 . 1 162 162 GLU N N 15 117.425 0.018 . 1 . . . . . 268 GLU N . 50188 1 570 . 1 . 1 164 164 THR CA C 13 65.147 0.000 . 1 . . . . . 270 THR CA . 50188 1 571 . 1 . 1 164 164 THR CB C 13 68.475 0.000 . 1 . . . . . 270 THR CB . 50188 1 572 . 1 . 1 165 165 TRP H H 1 6.201 0.019 . 1 . . . . . 271 TRP H . 50188 1 573 . 1 . 1 165 165 TRP CA C 13 55.419 0.000 . 1 . . . . . 271 TRP CA . 50188 1 574 . 1 . 1 165 165 TRP CB C 13 29.024 0.031 . 1 . . . . . 271 TRP CB . 50188 1 575 . 1 . 1 165 165 TRP N N 15 118.202 0.046 . 1 . . . . . 271 TRP N . 50188 1 576 . 1 . 1 166 166 LYS H H 1 8.488 0.010 . 1 . . . . . 272 LYS H . 50188 1 577 . 1 . 1 166 166 LYS CA C 13 54.813 0.329 . 1 . . . . . 272 LYS CA . 50188 1 578 . 1 . 1 166 166 LYS CB C 13 34.491 0.112 . 1 . . . . . 272 LYS CB . 50188 1 579 . 1 . 1 166 166 LYS N N 15 119.590 0.084 . 1 . . . . . 272 LYS N . 50188 1 580 . 1 . 1 167 167 LEU H H 1 7.796 0.022 . 1 . . . . . 273 LEU H . 50188 1 581 . 1 . 1 167 167 LEU HD11 H 1 0.663 0.000 . 2 . . . . . 273 LEU HD11 . 50188 1 582 . 1 . 1 167 167 LEU HD12 H 1 0.663 0.000 . 2 . . . . . 273 LEU HD12 . 50188 1 583 . 1 . 1 167 167 LEU HD13 H 1 0.663 0.000 . 2 . . . . . 273 LEU HD13 . 50188 1 584 . 1 . 1 167 167 LEU HD21 H 1 1.138 0.000 . 2 . . . . . 273 LEU HD21 . 50188 1 585 . 1 . 1 167 167 LEU HD22 H 1 1.138 0.000 . 2 . . . . . 273 LEU HD22 . 50188 1 586 . 1 . 1 167 167 LEU HD23 H 1 1.138 0.000 . 2 . . . . . 273 LEU HD23 . 50188 1 587 . 1 . 1 167 167 LEU CA C 13 52.206 0.007 . 1 . . . . . 273 LEU CA . 50188 1 588 . 1 . 1 167 167 LEU CB C 13 44.345 0.042 . 1 . . . . . 273 LEU CB . 50188 1 589 . 1 . 1 167 167 LEU N N 15 121.525 0.125 . 1 . . . . . 273 LEU N . 50188 1 590 . 1 . 1 168 168 THR H H 1 8.723 0.014 . 1 . . . . . 274 THR H . 50188 1 591 . 1 . 1 168 168 THR CA C 13 59.886 0.004 . 1 . . . . . 274 THR CA . 50188 1 592 . 1 . 1 168 168 THR CB C 13 70.663 0.022 . 1 . . . . . 274 THR CB . 50188 1 593 . 1 . 1 168 168 THR N N 15 113.586 0.118 . 1 . . . . . 274 THR N . 50188 1 594 . 1 . 1 169 169 HIS H H 1 8.478 0.018 . 1 . . . . . 275 HIS H . 50188 1 595 . 1 . 1 169 169 HIS CA C 13 54.843 0.041 . 1 . . . . . 275 HIS CA . 50188 1 596 . 1 . 1 169 169 HIS CB C 13 34.945 0.038 . 1 . . . . . 275 HIS CB . 50188 1 597 . 1 . 1 169 169 HIS N N 15 118.514 0.114 . 1 . . . . . 275 HIS N . 50188 1 598 . 1 . 1 170 170 THR H H 1 8.606 0.020 . 1 . . . . . 276 THR H . 50188 1 599 . 1 . 1 170 170 THR CA C 13 59.701 0.032 . 1 . . . . . 276 THR CA . 50188 1 600 . 1 . 1 170 170 THR CB C 13 68.852 0.002 . 1 . . . . . 276 THR CB . 50188 1 601 . 1 . 1 170 170 THR N N 15 109.203 0.040 . 1 . . . . . 276 THR N . 50188 1 602 . 1 . 1 171 171 CYS H H 1 9.754 0.008 . 1 . . . . . 277 CYS H . 50188 1 603 . 1 . 1 171 171 CYS CA C 13 57.858 0.000 . 1 . . . . . 277 CYS CA . 50188 1 604 . 1 . 1 171 171 CYS CB C 13 26.218 0.000 . 1 . . . . . 277 CYS CB . 50188 1 605 . 1 . 1 171 171 CYS N N 15 128.951 0.045 . 1 . . . . . 277 CYS N . 50188 1 606 . 1 . 1 172 172 PRO CA C 13 62.585 0.013 . 1 . . . . . 278 PRO CA . 50188 1 607 . 1 . 1 172 172 PRO CB C 13 29.896 0.008 . 1 . . . . . 278 PRO CB . 50188 1 608 . 1 . 1 173 173 THR H H 1 7.325 0.016 . 1 . . . . . 279 THR H . 50188 1 609 . 1 . 1 173 173 THR CA C 13 58.919 0.000 . 1 . . . . . 279 THR CA . 50188 1 610 . 1 . 1 173 173 THR CB C 13 72.018 0.000 . 1 . . . . . 279 THR CB . 50188 1 611 . 1 . 1 173 173 THR N N 15 109.565 0.074 . 1 . . . . . 279 THR N . 50188 1 612 . 1 . 1 176 176 GLY CA C 13 45.668 0.036 . 1 . . . . . 282 GLY CA . 50188 1 613 . 1 . 1 177 177 TRP H H 1 7.791 0.016 . 1 . . . . . 283 TRP H . 50188 1 614 . 1 . 1 177 177 TRP HE1 H 1 10.135 0.019 . 1 . . . . . 283 TRP HE1 . 50188 1 615 . 1 . 1 177 177 TRP CA C 13 56.387 0.009 . 1 . . . . . 283 TRP CA . 50188 1 616 . 1 . 1 177 177 TRP CB C 13 27.614 0.026 . 1 . . . . . 283 TRP CB . 50188 1 617 . 1 . 1 177 177 TRP N N 15 116.972 0.063 . 1 . . . . . 283 TRP N . 50188 1 618 . 1 . 1 177 177 TRP NE1 N 15 131.009 0.011 . 1 . . . . . 283 TRP NE1 . 50188 1 619 . 1 . 1 178 178 ALA H H 1 8.321 0.007 . 1 . . . . . 284 ALA H . 50188 1 620 . 1 . 1 178 178 ALA CA C 13 54.681 0.046 . 1 . . . . . 284 ALA CA . 50188 1 621 . 1 . 1 178 178 ALA CB C 13 19.392 0.015 . 1 . . . . . 284 ALA CB . 50188 1 622 . 1 . 1 178 178 ALA N N 15 123.379 0.034 . 1 . . . . . 284 ALA N . 50188 1 623 . 1 . 1 179 179 GLY H H 1 8.752 0.015 . 1 . . . . . 285 GLY H . 50188 1 624 . 1 . 1 179 179 GLY CA C 13 44.476 0.056 . 1 . . . . . 285 GLY CA . 50188 1 625 . 1 . 1 179 179 GLY N N 15 108.348 0.079 . 1 . . . . . 285 GLY N . 50188 1 626 . 1 . 1 180 180 THR H H 1 8.380 0.019 . 1 . . . . . 286 THR H . 50188 1 627 . 1 . 1 180 180 THR CA C 13 60.019 0.000 . 1 . . . . . 286 THR CA . 50188 1 628 . 1 . 1 180 180 THR CB C 13 70.712 0.000 . 1 . . . . . 286 THR CB . 50188 1 629 . 1 . 1 180 180 THR N N 15 116.948 0.056 . 1 . . . . . 286 THR N . 50188 1 630 . 1 . 1 181 181 PRO CA C 13 61.823 0.015 . 1 . . . . . 287 PRO CA . 50188 1 631 . 1 . 1 181 181 PRO CB C 13 31.946 0.004 . 1 . . . . . 287 PRO CB . 50188 1 632 . 1 . 1 182 182 LEU H H 1 7.681 0.019 . 1 . . . . . 288 LEU H . 50188 1 633 . 1 . 1 182 182 LEU CA C 13 52.893 0.007 . 1 . . . . . 288 LEU CA . 50188 1 634 . 1 . 1 182 182 LEU CB C 13 39.205 0.019 . 1 . . . . . 288 LEU CB . 50188 1 635 . 1 . 1 182 182 LEU N N 15 118.936 0.060 . 1 . . . . . 288 LEU N . 50188 1 636 . 1 . 1 183 183 TYR H H 1 8.413 0.011 . 1 . . . . . 289 TYR H . 50188 1 637 . 1 . 1 183 183 TYR CA C 13 59.985 0.011 . 1 . . . . . 289 TYR CA . 50188 1 638 . 1 . 1 183 183 TYR CB C 13 38.548 0.106 . 1 . . . . . 289 TYR CB . 50188 1 639 . 1 . 1 183 183 TYR N N 15 122.507 0.063 . 1 . . . . . 289 TYR N . 50188 1 640 . 1 . 1 184 184 SER H H 1 8.828 0.020 . 1 . . . . . 290 SER H . 50188 1 641 . 1 . 1 184 184 SER CA C 13 56.111 0.000 . 1 . . . . . 290 SER CA . 50188 1 642 . 1 . 1 184 184 SER CB C 13 66.708 0.000 . 1 . . . . . 290 SER CB . 50188 1 643 . 1 . 1 184 184 SER N N 15 119.913 0.051 . 1 . . . . . 290 SER N . 50188 1 644 . 1 . 1 185 185 SER CA C 13 60.848 0.000 . 1 . . . . . 291 SER CA . 50188 1 645 . 1 . 1 185 185 SER CB C 13 62.074 0.000 . 1 . . . . . 291 SER CB . 50188 1 646 . 1 . 1 186 186 ARG H H 1 7.774 0.016 . 1 . . . . . 292 ARG H . 50188 1 647 . 1 . 1 186 186 ARG CA C 13 55.853 0.009 . 1 . . . . . 292 ARG CA . 50188 1 648 . 1 . 1 186 186 ARG CB C 13 30.581 0.015 . 1 . . . . . 292 ARG CB . 50188 1 649 . 1 . 1 186 186 ARG N N 15 118.260 0.043 . 1 . . . . . 292 ARG N . 50188 1 650 . 1 . 1 187 187 GLY H H 1 7.239 0.012 . 1 . . . . . 293 GLY H . 50188 1 651 . 1 . 1 187 187 GLY CA C 13 44.005 0.014 . 1 . . . . . 293 GLY CA . 50188 1 652 . 1 . 1 187 187 GLY N N 15 106.831 0.023 . 1 . . . . . 293 GLY N . 50188 1 653 . 1 . 1 188 188 VAL H H 1 8.517 0.012 . 1 . . . . . 294 VAL H . 50188 1 654 . 1 . 1 188 188 VAL HG11 H 1 0.112 0.002 . 2 . . . . . 294 VAL HG11 . 50188 1 655 . 1 . 1 188 188 VAL HG12 H 1 0.112 0.002 . 2 . . . . . 294 VAL HG12 . 50188 1 656 . 1 . 1 188 188 VAL HG13 H 1 0.112 0.002 . 2 . . . . . 294 VAL HG13 . 50188 1 657 . 1 . 1 188 188 VAL HG21 H 1 0.522 0.019 . 2 . . . . . 294 VAL HG21 . 50188 1 658 . 1 . 1 188 188 VAL HG22 H 1 0.522 0.019 . 2 . . . . . 294 VAL HG22 . 50188 1 659 . 1 . 1 188 188 VAL HG23 H 1 0.522 0.019 . 2 . . . . . 294 VAL HG23 . 50188 1 660 . 1 . 1 188 188 VAL CA C 13 63.130 0.020 . 1 . . . . . 294 VAL CA . 50188 1 661 . 1 . 1 188 188 VAL CB C 13 31.600 0.035 . 1 . . . . . 294 VAL CB . 50188 1 662 . 1 . 1 188 188 VAL N N 15 123.542 0.071 . 1 . . . . . 294 VAL N . 50188 1 663 . 1 . 1 189 189 VAL H H 1 8.363 0.073 . 1 . . . . . 295 VAL H . 50188 1 664 . 1 . 1 189 189 VAL CA C 13 60.252 0.023 . 1 . . . . . 295 VAL CA . 50188 1 665 . 1 . 1 189 189 VAL CB C 13 31.150 0.078 . 1 . . . . . 295 VAL CB . 50188 1 666 . 1 . 1 189 189 VAL N N 15 120.789 1.250 . 1 . . . . . 295 VAL N . 50188 1 667 . 1 . 1 190 190 GLY H H 1 7.232 0.013 . 1 . . . . . 296 GLY H . 50188 1 668 . 1 . 1 190 190 GLY CA C 13 45.056 0.005 . 1 . . . . . 296 GLY CA . 50188 1 669 . 1 . 1 190 190 GLY N N 15 104.843 0.060 . 1 . . . . . 296 GLY N . 50188 1 670 . 1 . 1 191 191 MET H H 1 7.747 0.014 . 1 . . . . . 297 MET H . 50188 1 671 . 1 . 1 191 191 MET CA C 13 54.582 0.028 . 1 . . . . . 297 MET CA . 50188 1 672 . 1 . 1 191 191 MET CB C 13 37.228 0.028 . 1 . . . . . 297 MET CB . 50188 1 673 . 1 . 1 191 191 MET N N 15 120.249 0.072 . 1 . . . . . 297 MET N . 50188 1 674 . 1 . 1 192 192 HIS H H 1 9.156 0.005 . 1 . . . . . 298 HIS H . 50188 1 675 . 1 . 1 192 192 HIS CA C 13 58.572 0.006 . 1 . . . . . 298 HIS CA . 50188 1 676 . 1 . 1 192 192 HIS CB C 13 31.452 0.021 . 1 . . . . . 298 HIS CB . 50188 1 677 . 1 . 1 192 192 HIS N N 15 128.804 0.030 . 1 . . . . . 298 HIS N . 50188 1 678 . 1 . 1 193 193 VAL H H 1 8.184 0.017 . 1 . . . . . 299 VAL H . 50188 1 679 . 1 . 1 193 193 VAL HG11 H 1 0.640 0.015 . 2 . . . . . 299 VAL HG11 . 50188 1 680 . 1 . 1 193 193 VAL HG12 H 1 0.640 0.015 . 2 . . . . . 299 VAL HG12 . 50188 1 681 . 1 . 1 193 193 VAL HG13 H 1 0.640 0.015 . 2 . . . . . 299 VAL HG13 . 50188 1 682 . 1 . 1 193 193 VAL HG21 H 1 1.047 0.009 . 2 . . . . . 299 VAL HG21 . 50188 1 683 . 1 . 1 193 193 VAL HG22 H 1 1.047 0.009 . 2 . . . . . 299 VAL HG22 . 50188 1 684 . 1 . 1 193 193 VAL HG23 H 1 1.047 0.009 . 2 . . . . . 299 VAL HG23 . 50188 1 685 . 1 . 1 193 193 VAL CA C 13 61.710 0.032 . 1 . . . . . 299 VAL CA . 50188 1 686 . 1 . 1 193 193 VAL CB C 13 33.916 0.011 . 1 . . . . . 299 VAL CB . 50188 1 687 . 1 . 1 193 193 VAL N N 15 117.958 0.173 . 1 . . . . . 299 VAL N . 50188 1 688 . 1 . 1 194 194 GLY H H 1 6.816 0.054 . 1 . . . . . 300 GLY H . 50188 1 689 . 1 . 1 194 194 GLY CA C 13 45.452 0.110 . 1 . . . . . 300 GLY CA . 50188 1 690 . 1 . 1 194 194 GLY N N 15 105.859 0.176 . 1 . . . . . 300 GLY N . 50188 1 691 . 1 . 1 198 198 ILE CA C 13 61.699 0.007 . 1 . . . . . 304 ILE CA . 50188 1 692 . 1 . 1 198 198 ILE CB C 13 36.848 0.000 . 1 . . . . . 304 ILE CB . 50188 1 693 . 1 . 1 199 199 GLY H H 1 8.262 0.025 . 1 . . . . . 305 GLY H . 50188 1 694 . 1 . 1 199 199 GLY CA C 13 44.707 0.013 . 1 . . . . . 305 GLY CA . 50188 1 695 . 1 . 1 199 199 GLY N N 15 114.084 0.065 . 1 . . . . . 305 GLY N . 50188 1 696 . 1 . 1 200 200 LYS H H 1 7.937 0.018 . 1 . . . . . 306 LYS H . 50188 1 697 . 1 . 1 200 200 LYS CA C 13 56.170 0.018 . 1 . . . . . 306 LYS CA . 50188 1 698 . 1 . 1 200 200 LYS CB C 13 32.375 0.020 . 1 . . . . . 306 LYS CB . 50188 1 699 . 1 . 1 200 200 LYS N N 15 118.549 0.062 . 1 . . . . . 306 LYS N . 50188 1 700 . 1 . 1 201 201 LEU H H 1 7.871 0.010 . 1 . . . . . 307 LEU H . 50188 1 701 . 1 . 1 201 201 LEU HD11 H 1 0.736 0.011 . 1 . . . . . 307 LEU HD11 . 50188 1 702 . 1 . 1 201 201 LEU HD12 H 1 0.736 0.011 . 1 . . . . . 307 LEU HD12 . 50188 1 703 . 1 . 1 201 201 LEU HD13 H 1 0.736 0.011 . 1 . . . . . 307 LEU HD13 . 50188 1 704 . 1 . 1 201 201 LEU CA C 13 54.149 0.000 . 1 . . . . . 307 LEU CA . 50188 1 705 . 1 . 1 201 201 LEU CB C 13 43.780 0.000 . 1 . . . . . 307 LEU CB . 50188 1 706 . 1 . 1 201 201 LEU N N 15 119.598 0.064 . 1 . . . . . 307 LEU N . 50188 1 707 . 1 . 1 202 202 ASN CA C 13 52.445 0.007 . 1 . . . . . 308 ASN CA . 50188 1 708 . 1 . 1 202 202 ASN CB C 13 40.213 0.001 . 1 . . . . . 308 ASN CB . 50188 1 709 . 1 . 1 203 203 ARG H H 1 9.005 0.016 . 1 . . . . . 309 ARG H . 50188 1 710 . 1 . 1 203 203 ARG CA C 13 54.581 0.005 . 1 . . . . . 309 ARG CA . 50188 1 711 . 1 . 1 203 203 ARG CB C 13 32.911 0.014 . 1 . . . . . 309 ARG CB . 50188 1 712 . 1 . 1 203 203 ARG N N 15 119.370 0.051 . 1 . . . . . 309 ARG N . 50188 1 713 . 1 . 1 204 204 GLY H H 1 9.092 0.034 . 1 . . . . . 310 GLY H . 50188 1 714 . 1 . 1 204 204 GLY CA C 13 43.818 0.032 . 1 . . . . . 310 GLY CA . 50188 1 715 . 1 . 1 204 204 GLY N N 15 110.496 0.128 . 1 . . . . . 310 GLY N . 50188 1 716 . 1 . 1 205 205 VAL H H 1 9.169 0.006 . 1 . . . . . 311 VAL H . 50188 1 717 . 1 . 1 205 205 VAL CA C 13 60.789 0.021 . 1 . . . . . 311 VAL CA . 50188 1 718 . 1 . 1 205 205 VAL CB C 13 34.682 0.009 . 1 . . . . . 311 VAL CB . 50188 1 719 . 1 . 1 205 205 VAL N N 15 122.055 0.065 . 1 . . . . . 311 VAL N . 50188 1 720 . 1 . 1 206 206 ASN H H 1 8.988 0.010 . 1 . . . . . 312 ASN H . 50188 1 721 . 1 . 1 206 206 ASN CA C 13 50.835 0.059 . 1 . . . . . 312 ASN CA . 50188 1 722 . 1 . 1 206 206 ASN CB C 13 35.223 0.272 . 1 . . . . . 312 ASN CB . 50188 1 723 . 1 . 1 206 206 ASN N N 15 126.785 0.065 . 1 . . . . . 312 ASN N . 50188 1 724 . 1 . 1 207 207 MET H H 1 7.624 0.013 . 1 . . . . . 313 MET H . 50188 1 725 . 1 . 1 207 207 MET CA C 13 53.804 0.013 . 1 . . . . . 313 MET CA . 50188 1 726 . 1 . 1 207 207 MET CB C 13 29.128 0.051 . 1 . . . . . 313 MET CB . 50188 1 727 . 1 . 1 207 207 MET N N 15 124.827 0.050 . 1 . . . . . 313 MET N . 50188 1 728 . 1 . 1 208 208 PHE H H 1 9.232 0.008 . 1 . . . . . 314 PHE H . 50188 1 729 . 1 . 1 208 208 PHE CA C 13 62.832 0.000 . 1 . . . . . 314 PHE CA . 50188 1 730 . 1 . 1 208 208 PHE CB C 13 38.621 0.000 . 1 . . . . . 314 PHE CB . 50188 1 731 . 1 . 1 208 208 PHE N N 15 123.653 0.068 . 1 . . . . . 314 PHE N . 50188 1 732 . 1 . 1 209 209 TYR H H 1 7.385 0.004 . 1 . . . . . 315 TYR H . 50188 1 733 . 1 . 1 209 209 TYR N N 15 120.883 0.017 . 1 . . . . . 315 TYR N . 50188 1 734 . 1 . 1 210 210 VAL CA C 13 67.070 0.024 . 1 . . . . . 316 VAL CA . 50188 1 735 . 1 . 1 211 211 ALA H H 1 9.103 0.005 . 1 . . . . . 317 ALA H . 50188 1 736 . 1 . 1 211 211 ALA CA C 13 54.641 0.005 . 1 . . . . . 317 ALA CA . 50188 1 737 . 1 . 1 211 211 ALA CB C 13 24.972 6.851 . 1 . . . . . 317 ALA CB . 50188 1 738 . 1 . 1 211 211 ALA N N 15 119.603 0.047 . 1 . . . . . 317 ALA N . 50188 1 739 . 1 . 1 212 212 ASN H H 1 7.067 0.014 . 1 . . . . . 318 ASN H . 50188 1 740 . 1 . 1 212 212 ASN CA C 13 56.137 0.000 . 1 . . . . . 318 ASN CA . 50188 1 741 . 1 . 1 212 212 ASN N N 15 110.702 0.088 . 1 . . . . . 318 ASN N . 50188 1 742 . 1 . 1 215 215 LEU CA C 13 54.480 0.000 . 1 . . . . . 321 LEU CA . 50188 1 743 . 1 . 1 215 215 LEU CB C 13 38.185 0.000 . 1 . . . . . 321 LEU CB . 50188 1 744 . 1 . 1 216 216 ARG H H 1 6.715 0.008 . 1 . . . . . 322 ARG H . 50188 1 745 . 1 . 1 216 216 ARG CA C 13 56.044 0.000 . 1 . . . . . 322 ARG CA . 50188 1 746 . 1 . 1 216 216 ARG CB C 13 30.505 0.000 . 1 . . . . . 322 ARG CB . 50188 1 747 . 1 . 1 216 216 ARG N N 15 119.818 0.023 . 1 . . . . . 322 ARG N . 50188 1 748 . 1 . 1 218 218 ASN CA C 13 54.660 0.019 . 1 . . . . . 324 ASN CA . 50188 1 749 . 1 . 1 218 218 ASN CB C 13 39.690 0.000 . 1 . . . . . 324 ASN CB . 50188 1 750 . 1 . 1 219 219 GLU H H 1 8.601 0.154 . 1 . . . . . 325 GLU H . 50188 1 751 . 1 . 1 219 219 GLU CA C 13 55.625 0.007 . 1 . . . . . 325 GLU CA . 50188 1 752 . 1 . 1 219 219 GLU CB C 13 30.209 16.966 . 1 . . . . . 325 GLU CB . 50188 1 753 . 1 . 1 219 219 GLU N N 15 119.746 1.564 . 1 . . . . . 325 GLU N . 50188 1 754 . 1 . 1 220 220 THR H H 1 8.105 0.006 . 1 . . . . . 326 THR H . 50188 1 755 . 1 . 1 220 220 THR CA C 13 61.296 0.011 . 1 . . . . . 326 THR CA . 50188 1 756 . 1 . 1 220 220 THR CB C 13 69.431 0.026 . 1 . . . . . 326 THR CB . 50188 1 757 . 1 . 1 220 220 THR N N 15 115.006 0.044 . 1 . . . . . 326 THR N . 50188 1 758 . 1 . 1 221 221 LEU H H 1 8.355 0.008 . 1 . . . . . 327 LEU H . 50188 1 759 . 1 . 1 221 221 LEU CA C 13 53.162 0.000 . 1 . . . . . 327 LEU CA . 50188 1 760 . 1 . 1 221 221 LEU CB C 13 41.523 0.000 . 1 . . . . . 327 LEU CB . 50188 1 761 . 1 . 1 221 221 LEU N N 15 127.156 0.063 . 1 . . . . . 327 LEU N . 50188 1 762 . 1 . 1 229 229 GLU CA C 13 56.704 0.006 . 1 . . . . . 335 GLU CA . 50188 1 763 . 1 . 1 229 229 GLU CB C 13 30.503 0.000 . 1 . . . . . 335 GLU CB . 50188 1 764 . 1 . 1 230 230 ILE H H 1 8.576 0.008 . 1 . . . . . 336 ILE H . 50188 1 765 . 1 . 1 230 230 ILE CA C 13 59.662 0.000 . 1 . . . . . 336 ILE CA . 50188 1 766 . 1 . 1 230 230 ILE CB C 13 36.800 0.000 . 1 . . . . . 336 ILE CB . 50188 1 767 . 1 . 1 230 230 ILE N N 15 126.896 0.072 . 1 . . . . . 336 ILE N . 50188 1 768 . 1 . 1 231 231 PRO CA C 13 61.891 0.035 . 1 . . . . . 337 PRO CA . 50188 1 769 . 1 . 1 231 231 PRO CB C 13 31.296 0.004 . 1 . . . . . 337 PRO CB . 50188 1 770 . 1 . 1 232 232 PHE H H 1 8.792 0.011 . 1 . . . . . 338 PHE H . 50188 1 771 . 1 . 1 232 232 PHE CA C 13 61.269 0.015 . 1 . . . . . 338 PHE CA . 50188 1 772 . 1 . 1 232 232 PHE CB C 13 37.865 0.013 . 1 . . . . . 338 PHE CB . 50188 1 773 . 1 . 1 232 232 PHE N N 15 124.635 0.046 . 1 . . . . . 338 PHE N . 50188 1 774 . 1 . 1 233 233 ASP H H 1 8.676 0.003 . 1 . . . . . 339 ASP H . 50188 1 775 . 1 . 1 233 233 ASP CA C 13 55.948 0.007 . 1 . . . . . 339 ASP CA . 50188 1 776 . 1 . 1 233 233 ASP CB C 13 39.626 0.006 . 1 . . . . . 339 ASP CB . 50188 1 777 . 1 . 1 233 233 ASP N N 15 116.357 0.023 . 1 . . . . . 339 ASP N . 50188 1 778 . 1 . 1 234 234 ASP H H 1 7.428 0.016 . 1 . . . . . 340 ASP H . 50188 1 779 . 1 . 1 234 234 ASP CA C 13 54.674 0.033 . 1 . . . . . 340 ASP CA . 50188 1 780 . 1 . 1 234 234 ASP CB C 13 40.061 0.050 . 1 . . . . . 340 ASP CB . 50188 1 781 . 1 . 1 234 234 ASP N N 15 117.074 0.052 . 1 . . . . . 340 ASP N . 50188 1 782 . 1 . 1 235 235 VAL H H 1 7.340 0.012 . 1 . . . . . 341 VAL H . 50188 1 783 . 1 . 1 235 235 VAL HG11 H 1 -0.254 0.013 . 2 . . . . . 341 VAL HG11 . 50188 1 784 . 1 . 1 235 235 VAL HG12 H 1 -0.254 0.013 . 2 . . . . . 341 VAL HG12 . 50188 1 785 . 1 . 1 235 235 VAL HG13 H 1 -0.254 0.013 . 2 . . . . . 341 VAL HG13 . 50188 1 786 . 1 . 1 235 235 VAL HG21 H 1 0.271 0.005 . 2 . . . . . 341 VAL HG21 . 50188 1 787 . 1 . 1 235 235 VAL HG22 H 1 0.271 0.005 . 2 . . . . . 341 VAL HG22 . 50188 1 788 . 1 . 1 235 235 VAL HG23 H 1 0.271 0.005 . 2 . . . . . 341 VAL HG23 . 50188 1 789 . 1 . 1 235 235 VAL CA C 13 65.898 0.010 . 1 . . . . . 341 VAL CA . 50188 1 790 . 1 . 1 235 235 VAL CB C 13 29.494 0.039 . 1 . . . . . 341 VAL CB . 50188 1 791 . 1 . 1 235 235 VAL N N 15 123.181 0.082 . 1 . . . . . 341 VAL N . 50188 1 792 . 1 . 1 236 236 GLU H H 1 7.472 0.006 . 1 . . . . . 342 GLU H . 50188 1 793 . 1 . 1 236 236 GLU CA C 13 57.377 0.009 . 1 . . . . . 342 GLU CA . 50188 1 794 . 1 . 1 236 236 GLU CB C 13 28.226 0.033 . 1 . . . . . 342 GLU CB . 50188 1 795 . 1 . 1 236 236 GLU N N 15 116.163 0.065 . 1 . . . . . 342 GLU N . 50188 1 796 . 1 . 1 237 237 THR H H 1 7.178 0.018 . 1 . . . . . 343 THR H . 50188 1 797 . 1 . 1 237 237 THR CA C 13 61.935 0.019 . 1 . . . . . 343 THR CA . 50188 1 798 . 1 . 1 237 237 THR CB C 13 69.003 0.010 . 1 . . . . . 343 THR CB . 50188 1 799 . 1 . 1 237 237 THR N N 15 108.528 0.034 . 1 . . . . . 343 THR N . 50188 1 800 . 1 . 1 238 238 ARG H H 1 7.196 0.020 . 1 . . . . . 344 ARG H . 50188 1 801 . 1 . 1 238 238 ARG CA C 13 54.588 0.000 . 1 . . . . . 344 ARG CA . 50188 1 802 . 1 . 1 238 238 ARG CB C 13 29.985 0.000 . 1 . . . . . 344 ARG CB . 50188 1 803 . 1 . 1 238 238 ARG N N 15 121.863 0.057 . 1 . . . . . 344 ARG N . 50188 1 804 . 1 . 1 240 240 TYR H H 1 7.006 0.016 . 1 . . . . . 346 TYR H . 50188 1 805 . 1 . 1 240 240 TYR N N 15 117.383 0.055 . 1 . . . . . 346 TYR N . 50188 1 806 . 1 . 1 242 242 PHE CA C 13 56.172 0.007 . 1 . . . . . 348 PHE CA . 50188 1 807 . 1 . 1 242 242 PHE CB C 13 39.637 0.000 . 1 . . . . . 348 PHE CB . 50188 1 808 . 1 . 1 243 243 ILE H H 1 9.135 0.011 . 1 . . . . . 349 ILE H . 50188 1 809 . 1 . 1 243 243 ILE CA C 13 60.057 0.010 . 1 . . . . . 349 ILE CA . 50188 1 810 . 1 . 1 243 243 ILE CB C 13 38.987 0.122 . 1 . . . . . 349 ILE CB . 50188 1 811 . 1 . 1 243 243 ILE N N 15 121.789 0.053 . 1 . . . . . 349 ILE N . 50188 1 812 . 1 . 1 244 244 GLU H H 1 8.845 0.008 . 1 . . . . . 350 GLU H . 50188 1 813 . 1 . 1 244 244 GLU CA C 13 55.886 0.002 . 1 . . . . . 350 GLU CA . 50188 1 814 . 1 . 1 244 244 GLU CB C 13 29.954 0.032 . 1 . . . . . 350 GLU CB . 50188 1 815 . 1 . 1 244 244 GLU N N 15 129.795 0.102 . 1 . . . . . 350 GLU N . 50188 1 816 . 1 . 1 245 245 VAL H H 1 8.949 0.017 . 1 . . . . . 351 VAL H . 50188 1 817 . 1 . 1 245 245 VAL HG11 H 1 0.436 0.007 . 1 . . . . . 351 VAL HG11 . 50188 1 818 . 1 . 1 245 245 VAL HG12 H 1 0.436 0.007 . 1 . . . . . 351 VAL HG12 . 50188 1 819 . 1 . 1 245 245 VAL HG13 H 1 0.436 0.007 . 1 . . . . . 351 VAL HG13 . 50188 1 820 . 1 . 1 245 245 VAL HG21 H 1 0.439 0.004 . 1 . . . . . 351 VAL HG21 . 50188 1 821 . 1 . 1 245 245 VAL HG22 H 1 0.439 0.004 . 1 . . . . . 351 VAL HG22 . 50188 1 822 . 1 . 1 245 245 VAL HG23 H 1 0.439 0.004 . 1 . . . . . 351 VAL HG23 . 50188 1 823 . 1 . 1 245 245 VAL CA C 13 58.407 0.008 . 1 . . . . . 351 VAL CA . 50188 1 824 . 1 . 1 245 245 VAL CB C 13 34.763 0.012 . 1 . . . . . 351 VAL CB . 50188 1 825 . 1 . 1 245 245 VAL N N 15 118.991 0.092 . 1 . . . . . 351 VAL N . 50188 1 826 . 1 . 1 246 246 GLU H H 1 9.494 0.021 . 1 . . . . . 352 GLU H . 50188 1 827 . 1 . 1 246 246 GLU CA C 13 55.518 0.018 . 1 . . . . . 352 GLU CA . 50188 1 828 . 1 . 1 246 246 GLU CB C 13 31.051 0.036 . 1 . . . . . 352 GLU CB . 50188 1 829 . 1 . 1 246 246 GLU N N 15 123.069 0.066 . 1 . . . . . 352 GLU N . 50188 1 830 . 1 . 1 247 247 ILE H H 1 8.911 0.018 . 1 . . . . . 353 ILE H . 50188 1 831 . 1 . 1 247 247 ILE CA C 13 58.419 0.013 . 1 . . . . . 353 ILE CA . 50188 1 832 . 1 . 1 247 247 ILE CB C 13 37.817 0.024 . 1 . . . . . 353 ILE CB . 50188 1 833 . 1 . 1 247 247 ILE N N 15 128.892 0.121 . 1 . . . . . 353 ILE N . 50188 1 834 . 1 . 1 248 248 LYS H H 1 9.013 0.016 . 1 . . . . . 354 LYS H . 50188 1 835 . 1 . 1 248 248 LYS CA C 13 58.143 0.001 . 1 . . . . . 354 LYS CA . 50188 1 836 . 1 . 1 248 248 LYS CB C 13 30.206 0.042 . 1 . . . . . 354 LYS CB . 50188 1 837 . 1 . 1 248 248 LYS N N 15 133.054 0.075 . 1 . . . . . 354 LYS N . 50188 1 838 . 1 . 1 249 249 GLY H H 1 8.593 0.008 . 1 . . . . . 355 GLY H . 50188 1 839 . 1 . 1 249 249 GLY CA C 13 44.385 0.017 . 1 . . . . . 355 GLY CA . 50188 1 840 . 1 . 1 249 249 GLY N N 15 112.702 0.068 . 1 . . . . . 355 GLY N . 50188 1 841 . 1 . 1 250 250 ARG H H 1 8.223 0.017 . 1 . . . . . 356 ARG H . 50188 1 842 . 1 . 1 250 250 ARG CA C 13 55.374 0.005 . 1 . . . . . 356 ARG CA . 50188 1 843 . 1 . 1 250 250 ARG CB C 13 31.993 0.014 . 1 . . . . . 356 ARG CB . 50188 1 844 . 1 . 1 250 250 ARG N N 15 118.295 0.110 . 1 . . . . . 356 ARG N . 50188 1 845 . 1 . 1 251 251 GLY H H 1 8.758 0.019 . 1 . . . . . 357 GLY H . 50188 1 846 . 1 . 1 251 251 GLY CA C 13 44.636 0.010 . 1 . . . . . 357 GLY CA . 50188 1 847 . 1 . 1 251 251 GLY N N 15 107.741 0.040 . 1 . . . . . 357 GLY N . 50188 1 848 . 1 . 1 252 252 LYS H H 1 8.933 0.017 . 1 . . . . . 358 LYS H . 50188 1 849 . 1 . 1 252 252 LYS CA C 13 55.390 0.010 . 1 . . . . . 358 LYS CA . 50188 1 850 . 1 . 1 252 252 LYS CB C 13 34.671 0.049 . 1 . . . . . 358 LYS CB . 50188 1 851 . 1 . 1 252 252 LYS N N 15 120.630 0.055 . 1 . . . . . 358 LYS N . 50188 1 852 . 1 . 1 253 253 ALA H H 1 8.843 0.018 . 1 . . . . . 359 ALA H . 50188 1 853 . 1 . 1 253 253 ALA CA C 13 50.063 0.009 . 1 . . . . . 359 ALA CA . 50188 1 854 . 1 . 1 253 253 ALA CB C 13 21.815 0.014 . 1 . . . . . 359 ALA CB . 50188 1 855 . 1 . 1 253 253 ALA N N 15 123.233 0.082 . 1 . . . . . 359 ALA N . 50188 1 856 . 1 . 1 254 254 LYS H H 1 9.166 0.020 . 1 . . . . . 360 LYS H . 50188 1 857 . 1 . 1 254 254 LYS CA C 13 53.362 0.001 . 1 . . . . . 360 LYS CA . 50188 1 858 . 1 . 1 254 254 LYS CB C 13 33.835 0.028 . 1 . . . . . 360 LYS CB . 50188 1 859 . 1 . 1 254 254 LYS N N 15 118.284 0.059 . 1 . . . . . 360 LYS N . 50188 1 860 . 1 . 1 255 255 LEU H H 1 9.831 0.011 . 1 . . . . . 361 LEU H . 50188 1 861 . 1 . 1 255 255 LEU HD11 H 1 0.417 0.000 . 2 . . . . . 361 LEU HD11 . 50188 1 862 . 1 . 1 255 255 LEU HD12 H 1 0.417 0.000 . 2 . . . . . 361 LEU HD12 . 50188 1 863 . 1 . 1 255 255 LEU HD13 H 1 0.417 0.000 . 2 . . . . . 361 LEU HD13 . 50188 1 864 . 1 . 1 255 255 LEU HD21 H 1 0.513 0.010 . 2 . . . . . 361 LEU HD21 . 50188 1 865 . 1 . 1 255 255 LEU HD22 H 1 0.513 0.010 . 2 . . . . . 361 LEU HD22 . 50188 1 866 . 1 . 1 255 255 LEU HD23 H 1 0.513 0.010 . 2 . . . . . 361 LEU HD23 . 50188 1 867 . 1 . 1 255 255 LEU CA C 13 54.598 0.004 . 1 . . . . . 361 LEU CA . 50188 1 868 . 1 . 1 255 255 LEU CB C 13 40.828 0.062 . 1 . . . . . 361 LEU CB . 50188 1 869 . 1 . 1 255 255 LEU N N 15 124.026 0.095 . 1 . . . . . 361 LEU N . 50188 1 870 . 1 . 1 256 256 GLY H H 1 8.488 0.022 . 1 . . . . . 362 GLY H . 50188 1 871 . 1 . 1 256 256 GLY CA C 13 41.874 0.000 . 1 . . . . . 362 GLY CA . 50188 1 872 . 1 . 1 256 256 GLY N N 15 114.258 0.052 . 1 . . . . . 362 GLY N . 50188 1 873 . 1 . 1 257 257 LYS CA C 13 58.171 0.028 . 1 . . . . . 363 LYS CA . 50188 1 874 . 1 . 1 257 257 LYS CB C 13 36.121 0.000 . 1 . . . . . 363 LYS CB . 50188 1 875 . 1 . 1 258 258 ARG H H 1 8.850 0.010 . 1 . . . . . 364 ARG H . 50188 1 876 . 1 . 1 258 258 ARG CA C 13 60.245 0.018 . 1 . . . . . 364 ARG CA . 50188 1 877 . 1 . 1 258 258 ARG CB C 13 33.275 0.069 . 1 . . . . . 364 ARG CB . 50188 1 878 . 1 . 1 258 258 ARG N N 15 126.709 0.055 . 1 . . . . . 364 ARG N . 50188 1 879 . 1 . 1 259 259 GLU H H 1 8.946 0.033 . 1 . . . . . 365 GLU H . 50188 1 880 . 1 . 1 259 259 GLU CA C 13 54.176 0.024 . 1 . . . . . 365 GLU CA . 50188 1 881 . 1 . 1 259 259 GLU CB C 13 27.042 0.000 . 1 . . . . . 365 GLU CB . 50188 1 882 . 1 . 1 259 259 GLU N N 15 128.361 0.132 . 1 . . . . . 365 GLU N . 50188 1 883 . 1 . 1 260 260 PHE CA C 13 56.732 0.002 . 1 . . . . . 366 PHE CA . 50188 1 884 . 1 . 1 260 260 PHE CB C 13 41.739 0.027 . 1 . . . . . 366 PHE CB . 50188 1 885 . 1 . 1 261 261 ALA H H 1 8.817 0.017 . 1 . . . . . 367 ALA H . 50188 1 886 . 1 . 1 261 261 ALA CA C 13 50.423 0.007 . 1 . . . . . 367 ALA CA . 50188 1 887 . 1 . 1 261 261 ALA CB C 13 24.064 0.010 . 1 . . . . . 367 ALA CB . 50188 1 888 . 1 . 1 261 261 ALA N N 15 120.411 0.109 . 1 . . . . . 367 ALA N . 50188 1 889 . 1 . 1 262 262 TRP H H 1 8.781 0.015 . 1 . . . . . 368 TRP H . 50188 1 890 . 1 . 1 262 262 TRP HE1 H 1 10.500 0.013 . 1 . . . . . 368 TRP HE1 . 50188 1 891 . 1 . 1 262 262 TRP CA C 13 56.473 0.010 . 1 . . . . . 368 TRP CA . 50188 1 892 . 1 . 1 262 262 TRP CB C 13 30.057 0.007 . 1 . . . . . 368 TRP CB . 50188 1 893 . 1 . 1 262 262 TRP N N 15 122.509 0.042 . 1 . . . . . 368 TRP N . 50188 1 894 . 1 . 1 262 262 TRP NE1 N 15 129.709 0.020 . 1 . . . . . 368 TRP NE1 . 50188 1 895 . 1 . 1 263 263 ILE H H 1 8.727 0.013 . 1 . . . . . 369 ILE H . 50188 1 896 . 1 . 1 263 263 ILE CA C 13 58.921 0.000 . 1 . . . . . 369 ILE CA . 50188 1 897 . 1 . 1 263 263 ILE CB C 13 37.027 0.000 . 1 . . . . . 369 ILE CB . 50188 1 898 . 1 . 1 263 263 ILE N N 15 124.873 0.042 . 1 . . . . . 369 ILE N . 50188 1 899 . 1 . 1 264 264 PRO CA C 13 62.568 0.006 . 1 . . . . . 370 PRO CA . 50188 1 900 . 1 . 1 264 264 PRO CB C 13 31.122 0.003 . 1 . . . . . 370 PRO CB . 50188 1 901 . 1 . 1 265 265 GLU H H 1 8.445 0.010 . 1 . . . . . 371 GLU H . 50188 1 902 . 1 . 1 265 265 GLU CA C 13 56.175 0.009 . 1 . . . . . 371 GLU CA . 50188 1 903 . 1 . 1 265 265 GLU CB C 13 29.274 0.000 . 1 . . . . . 371 GLU CB . 50188 1 904 . 1 . 1 265 265 GLU N N 15 122.096 0.041 . 1 . . . . . 371 GLU N . 50188 1 905 . 1 . 1 266 266 SER H H 1 8.194 0.009 . 1 . . . . . 372 SER H . 50188 1 906 . 1 . 1 266 266 SER CA C 13 58.091 0.049 . 1 . . . . . 372 SER CA . 50188 1 907 . 1 . 1 266 266 SER N N 15 116.743 0.068 . 1 . . . . . 372 SER N . 50188 1 908 . 1 . 1 267 267 GLY H H 1 8.317 0.009 . 1 . . . . . 373 GLY H . 50188 1 909 . 1 . 1 267 267 GLY CA C 13 44.835 0.000 . 1 . . . . . 373 GLY CA . 50188 1 910 . 1 . 1 267 267 GLY N N 15 111.095 0.062 . 1 . . . . . 373 GLY N . 50188 1 911 . 1 . 1 268 268 LYS CA C 13 55.669 0.000 . 1 . . . . . 374 LYS CA . 50188 1 912 . 1 . 1 268 268 LYS CB C 13 31.854 0.000 . 1 . . . . . 374 LYS CB . 50188 1 913 . 1 . 1 269 269 TYR H H 1 7.861 0.007 . 1 . . . . . 375 TYR H . 50188 1 914 . 1 . 1 269 269 TYR CA C 13 57.375 0.009 . 1 . . . . . 375 TYR CA . 50188 1 915 . 1 . 1 269 269 TYR CB C 13 37.787 0.008 . 1 . . . . . 375 TYR CB . 50188 1 916 . 1 . 1 269 269 TYR N N 15 121.717 0.042 . 1 . . . . . 375 TYR N . 50188 1 917 . 1 . 1 270 270 TRP H H 1 7.684 0.007 . 1 . . . . . 376 TRP H . 50188 1 918 . 1 . 1 270 270 TRP CA C 13 56.499 0.000 . 1 . . . . . 376 TRP CA . 50188 1 919 . 1 . 1 270 270 TRP CB C 13 28.995 0.013 . 1 . . . . . 376 TRP CB . 50188 1 920 . 1 . 1 270 270 TRP N N 15 123.155 0.042 . 1 . . . . . 376 TRP N . 50188 1 921 . 1 . 1 271 271 ALA H H 1 7.768 0.007 . 1 . . . . . 377 ALA H . 50188 1 922 . 1 . 1 271 271 ALA CA C 13 51.713 0.006 . 1 . . . . . 377 ALA CA . 50188 1 923 . 1 . 1 271 271 ALA CB C 13 18.740 0.005 . 1 . . . . . 377 ALA CB . 50188 1 924 . 1 . 1 271 271 ALA N N 15 125.629 0.012 . 1 . . . . . 377 ALA N . 50188 1 925 . 1 . 1 272 272 ASP H H 1 8.042 0.006 . 1 . . . . . 378 ASP H . 50188 1 926 . 1 . 1 272 272 ASP CA C 13 54.148 0.004 . 1 . . . . . 378 ASP CA . 50188 1 927 . 1 . 1 272 272 ASP CB C 13 40.637 0.021 . 1 . . . . . 378 ASP CB . 50188 1 928 . 1 . 1 272 272 ASP N N 15 120.300 0.010 . 1 . . . . . 378 ASP N . 50188 1 929 . 1 . 1 273 273 GLU H H 1 8.212 0.006 . 1 . . . . . 379 GLU H . 50188 1 930 . 1 . 1 273 273 GLU CA C 13 56.171 0.005 . 1 . . . . . 379 GLU CA . 50188 1 931 . 1 . 1 273 273 GLU CB C 13 29.574 0.012 . 1 . . . . . 379 GLU CB . 50188 1 932 . 1 . 1 273 273 GLU N N 15 120.962 0.061 . 1 . . . . . 379 GLU N . 50188 1 933 . 1 . 1 274 274 ASP H H 1 8.240 0.018 . 1 . . . . . 380 ASP H . 50188 1 934 . 1 . 1 274 274 ASP CA C 13 54.097 0.021 . 1 . . . . . 380 ASP CA . 50188 1 935 . 1 . 1 274 274 ASP CB C 13 40.717 0.014 . 1 . . . . . 380 ASP CB . 50188 1 936 . 1 . 1 274 274 ASP N N 15 121.673 0.055 . 1 . . . . . 380 ASP N . 50188 1 937 . 1 . 1 275 275 GLU H H 1 8.179 0.007 . 1 . . . . . 381 GLU H . 50188 1 938 . 1 . 1 275 275 GLU CA C 13 56.171 0.002 . 1 . . . . . 381 GLU CA . 50188 1 939 . 1 . 1 275 275 GLU CB C 13 29.619 0.004 . 1 . . . . . 381 GLU CB . 50188 1 940 . 1 . 1 275 275 GLU N N 15 121.717 0.037 . 1 . . . . . 381 GLU N . 50188 1 941 . 1 . 1 276 276 ASP H H 1 8.350 0.015 . 1 . . . . . 382 ASP H . 50188 1 942 . 1 . 1 276 276 ASP CA C 13 54.142 0.024 . 1 . . . . . 382 ASP CA . 50188 1 943 . 1 . 1 276 276 ASP CB C 13 40.728 0.027 . 1 . . . . . 382 ASP CB . 50188 1 944 . 1 . 1 276 276 ASP N N 15 121.687 0.055 . 1 . . . . . 382 ASP N . 50188 1 945 . 1 . 1 277 277 GLU H H 1 8.121 0.010 . 1 . . . . . 383 GLU H . 50188 1 946 . 1 . 1 277 277 GLU CA C 13 55.829 0.001 . 1 . . . . . 383 GLU CA . 50188 1 947 . 1 . 1 277 277 GLU CB C 13 29.577 0.017 . 1 . . . . . 383 GLU CB . 50188 1 948 . 1 . 1 277 277 GLU N N 15 121.334 0.024 . 1 . . . . . 383 GLU N . 50188 1 949 . 1 . 1 278 278 LEU H H 1 8.134 0.007 . 1 . . . . . 384 LEU H . 50188 1 950 . 1 . 1 278 278 LEU CA C 13 52.539 0.000 . 1 . . . . . 384 LEU CA . 50188 1 951 . 1 . 1 278 278 LEU CB C 13 40.594 0.000 . 1 . . . . . 384 LEU CB . 50188 1 952 . 1 . 1 278 278 LEU N N 15 125.422 0.042 . 1 . . . . . 384 LEU N . 50188 1 953 . 1 . 1 283 283 LYS CA C 13 55.209 0.000 . 1 . . . . . 389 LYS CA . 50188 1 954 . 1 . 1 283 283 LYS CB C 13 32.793 0.000 . 1 . . . . . 389 LYS CB . 50188 1 955 . 1 . 1 284 284 LEU H H 1 8.174 0.006 . 1 . . . . . 390 LEU H . 50188 1 956 . 1 . 1 284 284 LEU CA C 13 54.677 0.031 . 1 . . . . . 390 LEU CA . 50188 1 957 . 1 . 1 284 284 LEU CB C 13 41.124 0.002 . 1 . . . . . 390 LEU CB . 50188 1 958 . 1 . 1 284 284 LEU N N 15 123.785 0.041 . 1 . . . . . 390 LEU N . 50188 1 959 . 1 . 1 285 285 VAL H H 1 8.056 0.015 . 1 . . . . . 391 VAL H . 50188 1 960 . 1 . 1 285 285 VAL CA C 13 61.682 0.000 . 1 . . . . . 391 VAL CA . 50188 1 961 . 1 . 1 285 285 VAL CB C 13 32.170 0.000 . 1 . . . . . 391 VAL CB . 50188 1 962 . 1 . 1 285 285 VAL N N 15 121.655 0.094 . 1 . . . . . 391 VAL N . 50188 1 963 . 1 . 1 287 287 GLY H H 1 8.186 0.003 . 1 . . . . . 393 GLY H . 50188 1 964 . 1 . 1 287 287 GLY CA C 13 44.857 0.014 . 1 . . . . . 393 GLY CA . 50188 1 965 . 1 . 1 287 287 GLY N N 15 107.632 0.240 . 1 . . . . . 393 GLY N . 50188 1 966 . 1 . 1 288 288 LYS H H 1 7.853 0.005 . 1 . . . . . 394 LYS H . 50188 1 967 . 1 . 1 288 288 LYS CA C 13 55.492 0.101 . 1 . . . . . 394 LYS CA . 50188 1 968 . 1 . 1 288 288 LYS N N 15 121.249 0.072 . 1 . . . . . 394 LYS N . 50188 1 969 . 1 . 1 289 289 LEU H H 1 8.101 0.009 . 1 . . . . . 395 LEU H . 50188 1 970 . 1 . 1 289 289 LEU CA C 13 54.334 0.034 . 1 . . . . . 395 LEU CA . 50188 1 971 . 1 . 1 289 289 LEU CB C 13 41.472 0.051 . 1 . . . . . 395 LEU CB . 50188 1 972 . 1 . 1 289 289 LEU N N 15 124.206 0.060 . 1 . . . . . 395 LEU N . 50188 1 973 . 1 . 1 290 290 VAL H H 1 8.288 0.011 . 1 . . . . . 396 VAL H . 50188 1 974 . 1 . 1 290 290 VAL CA C 13 61.700 0.001 . 1 . . . . . 396 VAL CA . 50188 1 975 . 1 . 1 290 290 VAL CB C 13 32.167 0.000 . 1 . . . . . 396 VAL CB . 50188 1 976 . 1 . 1 290 290 VAL N N 15 123.284 0.037 . 1 . . . . . 396 VAL N . 50188 1 977 . 1 . 1 291 291 TRP H H 1 8.107 0.005 . 1 . . . . . 397 TRP H . 50188 1 978 . 1 . 1 291 291 TRP CA C 13 56.648 0.020 . 1 . . . . . 397 TRP CA . 50188 1 979 . 1 . 1 291 291 TRP CB C 13 29.079 0.000 . 1 . . . . . 397 TRP CB . 50188 1 980 . 1 . 1 291 291 TRP N N 15 124.922 0.038 . 1 . . . . . 397 TRP N . 50188 1 981 . 1 . 1 292 292 GLU H H 1 8.157 0.007 . 1 . . . . . 398 GLU H . 50188 1 982 . 1 . 1 292 292 GLU CA C 13 56.209 0.038 . 1 . . . . . 398 GLU CA . 50188 1 983 . 1 . 1 292 292 GLU CB C 13 29.455 0.000 . 1 . . . . . 398 GLU CB . 50188 1 984 . 1 . 1 292 292 GLU N N 15 122.901 0.086 . 1 . . . . . 398 GLU N . 50188 1 985 . 1 . 1 293 293 ASN H H 1 8.193 0.007 . 1 . . . . . 399 ASN H . 50188 1 986 . 1 . 1 293 293 ASN CA C 13 52.793 0.016 . 1 . . . . . 399 ASN CA . 50188 1 987 . 1 . 1 293 293 ASN CB C 13 38.289 0.000 . 1 . . . . . 399 ASN CB . 50188 1 988 . 1 . 1 293 293 ASN N N 15 119.744 0.062 . 1 . . . . . 399 ASN N . 50188 1 989 . 1 . 1 294 294 ALA H H 1 8.099 0.009 . 1 . . . . . 400 ALA H . 50188 1 990 . 1 . 1 294 294 ALA CA C 13 52.133 0.015 . 1 . . . . . 400 ALA CA . 50188 1 991 . 1 . 1 294 294 ALA CB C 13 18.363 0.049 . 1 . . . . . 400 ALA CB . 50188 1 992 . 1 . 1 294 294 ALA N N 15 124.766 0.055 . 1 . . . . . 400 ALA N . 50188 1 993 . 1 . 1 295 295 GLN H H 1 8.185 0.006 . 1 . . . . . 401 GLN H . 50188 1 994 . 1 . 1 295 295 GLN CA C 13 55.273 0.004 . 1 . . . . . 401 GLN CA . 50188 1 995 . 1 . 1 295 295 GLN CB C 13 28.797 0.002 . 1 . . . . . 401 GLN CB . 50188 1 996 . 1 . 1 295 295 GLN N N 15 120.373 0.029 . 1 . . . . . 401 GLN N . 50188 1 997 . 1 . 1 296 296 GLU H H 1 7.878 0.006 . 1 . . . . . 402 GLU H . 50188 1 998 . 1 . 1 296 296 GLU CA C 13 57.612 0.000 . 1 . . . . . 402 GLU CA . 50188 1 999 . 1 . 1 296 296 GLU CB C 13 30.251 0.000 . 1 . . . . . 402 GLU CB . 50188 1 1000 . 1 . 1 296 296 GLU N N 15 127.843 0.055 . 1 . . . . . 402 GLU N . 50188 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 50188 _RDC_list.ID 1 _RDC_list.Name PRO _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 700 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '2D 1H-15N HSQC' . . . 50188 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 32 32 SER H H 1 . . 1 1 32 32 SER N N 15 . -4.895 . . 1 . . . . 138 SER H . 138 SER N 50188 1 2 DHN . 1 1 33 33 PHE H H 1 . . 1 1 33 33 PHE N N 15 . 3.122 . . 1 . . . . 139 PHE H . 139 PHE N 50188 1 3 DHN . 1 1 34 34 TYR H H 1 . . 1 1 34 34 TYR N N 15 . 20.787 . . 1 . . . . 140 TYR H . 140 TYR N 50188 1 4 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 16.956 . . 1 . . . . 141 SER H . 141 SER N 50188 1 5 DHN . 1 1 37 37 VAL H H 1 . . 1 1 37 37 VAL N N 15 . 2.348 . . 1 . . . . 143 VAL H . 143 VAL N 50188 1 6 DHN . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS N N 15 . 19.084 . . 1 . . . . 144 LYS H . 144 LYS N 50188 1 7 DHN . 1 1 39 39 ALA H H 1 . . 1 1 39 39 ALA N N 15 . 25.256 . . 1 . . . . 145 ALA H . 145 ALA N 50188 1 8 DHN . 1 1 40 40 GLY H H 1 . . 1 1 40 40 GLY N N 15 . -31.57 . . 1 . . . . 146 GLY H . 146 GLY N 50188 1 9 DHN . 1 1 41 41 ASP H H 1 . . 1 1 41 41 ASP N N 15 . 36.678 . . 1 . . . . 147 ASP H . 147 ASP N 50188 1 10 DHN . 1 1 42 42 GLU H H 1 . . 1 1 42 42 GLU N N 15 . 9.081 . . 1 . . . . 148 GLU H . 148 GLU N 50188 1 11 DHN . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER N N 15 . 29.938 . . 1 . . . . 151 SER H . 151 SER N 50188 1 12 DHN . 1 1 46 46 LEU H H 1 . . 1 1 46 46 LEU N N 15 . -18.445 . . 1 . . . . 152 LEU H . 152 LEU N 50188 1 13 DHN . 1 1 51 51 SER H H 1 . . 1 1 51 51 SER N N 15 . 28.293 . . 1 . . . . 157 SER H . 157 SER N 50188 1 14 DHN . 1 1 52 52 GLY H H 1 . . 1 1 52 52 GLY N N 15 . 20.29 . . 1 . . . . 158 GLY H . 158 GLY N 50188 1 15 DHN . 1 1 54 54 THR H H 1 . . 1 1 54 54 THR N N 15 . 17.665 . . 1 . . . . 160 THR H . 160 THR N 50188 1 16 DHN . 1 1 55 55 THR H H 1 . . 1 1 55 55 THR N N 15 . 29.229 . . 1 . . . . 161 THR H . 161 THR N 50188 1 17 DHN . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE N N 15 . -8.939 . . 1 . . . . 162 ILE H . 162 ILE N 50188 1 18 DHN . 1 1 57 57 GLY H H 1 . . 1 1 57 57 GLY N N 15 . -40.207 . . 1 . . . . 163 GLY H . 163 GLY N 50188 1 19 DHN . 1 1 58 58 PHE H H 1 . . 1 1 58 58 PHE N N 15 . -32.617 . . 1 . . . . 164 PHE H . 164 PHE N 50188 1 20 DHN . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY N N 15 . -37.553 . . 1 . . . . 165 GLY H . 165 GLY N 50188 1 21 DHN . 1 1 60 60 CYS H H 1 . . 1 1 60 60 CYS N N 15 . -21.85 . . 1 . . . . 166 CYS H . 166 CYS N 50188 1 22 DHN . 1 1 61 61 ARG H H 1 . . 1 1 61 61 ARG N N 15 . -9.577 . . 1 . . . . 167 ARG H . 167 ARG N 50188 1 23 DHN . 1 1 62 62 THR H H 1 . . 1 1 62 62 THR N N 15 . 13.692 . . 1 . . . . 168 THR H . 168 THR N 50188 1 24 DHN . 1 1 64 64 ILE H H 1 . . 1 1 64 64 ILE N N 15 . 10.287 . . 1 . . . . 170 ILE H . 170 ILE N 50188 1 25 DHN . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 19.176 . . 1 . . . . 171 ASP H . 171 ASP N 50188 1 26 DHN . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . 25.54 . . 1 . . . . 172 GLY H . 172 GLY N 50188 1 27 DHN . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP N N 15 . 3.476 . . 1 . . . . 174 ASP H . 174 ASP N 50188 1 28 DHN . 1 1 69 69 CYS H H 1 . . 1 1 69 69 CYS N N 15 . 17.736 . . 1 . . . . 175 CYS H . 175 CYS N 50188 1 29 DHN . 1 1 71 71 LEU H H 1 . . 1 1 71 71 LEU N N 15 . -24.05 . . 1 . . . . 177 LEU H . 177 LEU N 50188 1 30 DHN . 1 1 75 75 HIS H H 1 . . 1 1 75 75 HIS N N 15 . 16.885 . . 1 . . . . 181 HIS H . 181 HIS N 50188 1 31 DHN . 1 1 76 76 VAL H H 1 . . 1 1 76 76 VAL N N 15 . 25.895 . . 1 . . . . 182 VAL H . 182 VAL N 50188 1 32 DHN . 1 1 78 78 CYS H H 1 . . 1 1 78 78 CYS N N 15 . 24.681 . . 1 . . . . 184 CYS H . 184 CYS N 50188 1 33 DHN . 1 1 79 79 ASN H H 1 . . 1 1 79 79 ASN N N 15 . -36.962 . . 1 . . . . 185 ASN H . 185 ASN N 50188 1 34 DHN . 1 1 82 82 ARG H H 1 . . 1 1 82 82 ARG N N 15 . 11.99 . . 1 . . . . 188 ARG H . 188 ARG N 50188 1 35 DHN . 1 1 87 87 ALA H H 1 . . 1 1 87 87 ALA N N 15 . -25.61 . . 1 . . . . 193 ALA H . 193 ALA N 50188 1 36 DHN . 1 1 88 88 LYS H H 1 . . 1 1 88 88 LYS N N 15 . 1.348 . . 1 . . . . 194 LYS H . 194 LYS N 50188 1 37 DHN . 1 1 89 89 ALA H H 1 . . 1 1 89 89 ALA N N 15 . -12.911 . . 1 . . . . 195 ALA H . 195 ALA N 50188 1 38 DHN . 1 1 90 90 GLY H H 1 . . 1 1 90 90 GLY N N 15 . -39.658 . . 1 . . . . 196 GLY H . 196 GLY N 50188 1 39 DHN . 1 1 91 91 LYS H H 1 . . 1 1 91 91 LYS N N 15 . 1.774 . . 1 . . . . 197 LYS H . 197 LYS N 50188 1 40 DHN . 1 1 92 92 GLN H H 1 . . 1 1 92 92 GLN N N 15 . -14.615 . . 1 . . . . 198 GLN H . 198 GLN N 50188 1 41 DHN . 1 1 93 93 VAL H H 1 . . 1 1 93 93 VAL N N 15 . 2.838 . . 1 . . . . 199 VAL H . 199 VAL N 50188 1 42 DHN . 1 1 94 94 SER H H 1 . . 1 1 94 94 SER N N 15 . -20.148 . . 1 . . . . 200 SER H . 200 SER N 50188 1 43 DHN . 1 1 95 95 VAL H H 1 . . 1 1 95 95 VAL N N 15 . 14.948 . . 1 . . . . 201 VAL H . 201 VAL N 50188 1 44 DHN . 1 1 97 97 ASP H H 1 . . 1 1 97 97 ASP N N 15 . 25.469 . . 1 . . . . 203 ASP H . 203 ASP N 50188 1 45 DHN . 1 1 102 102 MET H H 1 . . 1 1 102 102 MET N N 15 . -7.875 . . 1 . . . . 208 MET H . 208 MET N 50188 1 46 DHN . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER N N 15 . -10.004 . . 1 . . . . 209 SER H . 209 SER N 50188 1 47 DHN . 1 1 104 104 SER H H 1 . . 1 1 104 104 SER N N 15 . -4.34 . . 1 . . . . 210 SER H . 210 SER N 50188 1 48 DHN . 1 1 106 106 ASP H H 1 . . 1 1 106 106 ASP N N 15 . 1.774 . . 1 . . . . 212 ASP H . 212 ASP N 50188 1 49 DHN . 1 1 107 107 LYS H H 1 . . 1 1 107 107 LYS N N 15 . -50.512 . . 1 . . . . 213 LYS H . 213 LYS N 50188 1 50 DHN . 1 1 108 108 MET H H 1 . . 1 1 108 108 MET N N 15 . -8.385 . . 1 . . . . 214 MET H . 214 MET N 50188 1 51 DHN . 1 1 109 109 LEU H H 1 . . 1 1 109 109 LEU N N 15 . -14.543 . . 1 . . . . 215 LEU H . 215 LEU N 50188 1 52 DHN . 1 1 110 110 ASP H H 1 . . 1 1 110 110 ASP N N 15 . -51.789 . . 1 . . . . 216 ASP H . 216 ASP N 50188 1 53 DHN . 1 1 111 111 PHE H H 1 . . 1 1 111 111 PHE N N 15 . -13.551 . . 1 . . . . 217 PHE H . 217 PHE N 50188 1 54 DHN . 1 1 112 112 ALA H H 1 . . 1 1 112 112 ALA N N 15 . -70.163 . . 1 . . . . 218 ALA H . 218 ALA N 50188 1 55 DHN . 1 1 118 118 THR H H 1 . . 1 1 118 118 THR N N 15 . 32.847 . . 1 . . . . 224 THR H . 224 THR N 50188 1 56 DHN . 1 1 120 120 VAL H H 1 . . 1 1 120 120 VAL N N 15 . -3.724 . . 1 . . . . 226 VAL H . 226 VAL N 50188 1 57 DHN . 1 1 121 121 TRP H H 1 . . 1 1 121 121 TRP N N 15 . 17.807 . . 1 . . . . 227 TRP H . 227 TRP N 50188 1 58 DHN . 1 1 122 122 SER H H 1 . . 1 1 122 122 SER N N 15 . 23.131 . . 1 . . . . 228 SER H . 228 SER N 50188 1 59 DHN . 1 1 123 123 LYS H H 1 . . 1 1 123 123 LYS N N 15 . -10.429 . . 1 . . . . 229 LYS H . 229 LYS N 50188 1 60 DHN . 1 1 124 124 LEU H H 1 . . 1 1 124 124 LEU N N 15 . 8.159 . . 1 . . . . 230 LEU H . 230 LEU N 50188 1 61 DHN . 1 1 125 125 GLY H H 1 . . 1 1 125 125 GLY N N 15 . 27.668 . . 1 . . . . 231 GLY H . 231 GLY N 50188 1 62 DHN . 1 1 127 127 LYS H H 1 . . 1 1 127 127 LYS N N 15 . 24.05 . . 1 . . . . 233 LYS H . 233 LYS N 50188 1 63 DHN . 1 1 128 128 SER H H 1 . . 1 1 128 128 SER N N 15 . -20.503 . . 1 . . . . 234 SER H . 234 SER N 50188 1 64 DHN . 1 1 132 132 VAL H H 1 . . 1 1 132 132 VAL N N 15 . 28.52 . . 1 . . . . 238 VAL H . 238 VAL N 50188 1 65 DHN . 1 1 133 133 CYS H H 1 . . 1 1 133 133 CYS N N 15 . -7.449 . . 1 . . . . 239 CYS H . 239 CYS N 50188 1 66 DHN . 1 1 135 135 SER H H 1 . . 1 1 135 135 SER N N 15 . 14.756 . . 1 . . . . 241 SER H . 241 SER N 50188 1 67 DHN . 1 1 139 139 VAL H H 1 . . 1 1 139 139 VAL N N 15 . -13.693 . . 1 . . . . 245 VAL H . 245 VAL N 50188 1 68 DHN . 1 1 140 140 ILE H H 1 . . 1 1 140 140 ILE N N 15 . -10.642 . . 1 . . . . 246 ILE H . 246 ILE N 50188 1 69 DHN . 1 1 141 141 THR H H 1 . . 1 1 141 141 THR N N 15 . 25.114 . . 1 . . . . 247 THR H . 247 THR N 50188 1 70 DHN . 1 1 145 145 GLY H H 1 . . 1 1 145 145 GLY N N 15 . 13.621 . . 1 . . . . 251 GLY H . 251 GLY N 50188 1 71 DHN . 1 1 147 147 SER H H 1 . . 1 1 147 147 SER N N 15 . -7.134 . . 1 . . . . 253 SER H . 253 SER N 50188 1 72 DHN . 1 1 148 148 SER H H 1 . . 1 1 148 148 SER N N 15 . 0.568 . . 1 . . . . 254 SER H . 254 SER N 50188 1 73 DHN . 1 1 150 150 CYS H H 1 . . 1 1 150 150 CYS N N 15 . -9.961 . . 1 . . . . 256 CYS H . 256 CYS N 50188 1 74 DHN . 1 1 151 151 LEU H H 1 . . 1 1 151 151 LEU N N 15 . -48.667 . . 1 . . . . 257 LEU H . 257 LEU N 50188 1 75 DHN . 1 1 152 152 MET H H 1 . . 1 1 152 152 MET N N 15 . -10.996 . . 1 . . . . 258 MET H . 258 MET N 50188 1 76 DHN . 1 1 153 153 SER H H 1 . . 1 1 153 153 SER N N 15 . 14.827 . . 1 . . . . 259 SER H . 259 SER N 50188 1 77 DHN . 1 1 154 154 GLY H H 1 . . 1 1 154 154 GLY N N 15 . 23.908 . . 1 . . . . 260 GLY H . 260 GLY N 50188 1 78 DHN . 1 1 155 155 VAL H H 1 . . 1 1 155 155 VAL N N 15 . 2.057 . . 1 . . . . 261 VAL H . 261 VAL N 50188 1 79 DHN . 1 1 156 156 GLY H H 1 . . 1 1 156 156 GLY N N 15 . 5.959 . . 1 . . . . 262 GLY H . 262 GLY N 50188 1 80 DHN . 1 1 158 158 SER H H 1 . . 1 1 158 158 SER N N 15 . -14.402 . . 1 . . . . 264 SER H . 264 SER N 50188 1 81 DHN . 1 1 159 159 SER H H 1 . . 1 1 159 159 SER N N 15 . 11.989 . . 1 . . . . 265 SER H . 265 SER N 50188 1 82 DHN . 1 1 165 165 TRP H H 1 . . 1 1 165 165 TRP N N 15 . -39.374 . . 1 . . . . 271 TRP H . 271 TRP N 50188 1 83 DHN . 1 1 168 168 THR H H 1 . . 1 1 168 168 THR N N 15 . 16.033 . . 1 . . . . 274 THR H . 274 THR N 50188 1 84 DHN . 1 1 169 169 HIS H H 1 . . 1 1 169 169 HIS N N 15 . -2.767 . . 1 . . . . 275 HIS H . 275 HIS N 50188 1 85 DHN . 1 1 170 170 THR H H 1 . . 1 1 170 170 THR N N 15 . -2.98 . . 1 . . . . 276 THR H . 276 THR N 50188 1 86 DHN . 1 1 171 171 CYS H H 1 . . 1 1 171 171 CYS N N 15 . 18.977 . . 1 . . . . 277 CYS H . 277 CYS N 50188 1 87 DHN . 1 1 173 173 THR H H 1 . . 1 1 173 173 THR N N 15 . -35.117 . . 1 . . . . 279 THR H . 279 THR N 50188 1 88 DHN . 1 1 177 177 TRP H H 1 . . 1 1 177 177 TRP N N 15 . -15.111 . . 1 . . . . 283 TRP H . 283 TRP N 50188 1 89 DHN . 1 1 178 178 ALA H H 1 . . 1 1 178 178 ALA N N 15 . 9.153 . . 1 . . . . 284 ALA H . 284 ALA N 50188 1 90 DHN . 1 1 179 179 GLY H H 1 . . 1 1 179 179 GLY N N 15 . 61.61 . . 1 . . . . 285 GLY H . 285 GLY N 50188 1 91 DHN . 1 1 180 180 THR H H 1 . . 1 1 180 180 THR N N 15 . -1.49 . . 1 . . . . 286 THR H . 286 THR N 50188 1 92 DHN . 1 1 182 182 LEU H H 1 . . 1 1 182 182 LEU N N 15 . 16.388 . . 1 . . . . 288 LEU H . 288 LEU N 50188 1 93 DHN . 1 1 186 186 ARG H H 1 . . 1 1 186 186 ARG N N 15 . -29.587 . . 1 . . . . 292 ARG H . 292 ARG N 50188 1 94 DHN . 1 1 187 187 GLY H H 1 . . 1 1 187 187 GLY N N 15 . 25.185 . . 1 . . . . 293 GLY H . 293 GLY N 50188 1 95 DHN . 1 1 190 190 GLY H H 1 . . 1 1 190 190 GLY N N 15 . -30.79 . . 1 . . . . 296 GLY H . 296 GLY N 50188 1 96 DHN . 1 1 192 192 HIS H H 1 . . 1 1 192 192 HIS N N 15 . -45.829 . . 1 . . . . 298 HIS H . 298 HIS N 50188 1 97 DHN . 1 1 193 193 VAL H H 1 . . 1 1 193 193 VAL N N 15 . 15.182 . . 1 . . . . 299 VAL H . 299 VAL N 50188 1 98 DHN . 1 1 194 194 GLY H H 1 . . 1 1 194 194 GLY N N 15 . 6.527 . . 1 . . . . 300 GLY H . 300 GLY N 50188 1 99 DHN . 1 1 199 199 GLY H H 1 . . 1 1 199 199 GLY N N 15 . 6.669 . . 1 . . . . 305 GLY H . 305 GLY N 50188 1 100 DHN . 1 1 200 200 LYS H H 1 . . 1 1 200 200 LYS N N 15 . 5.676 . . 1 . . . . 306 LYS H . 306 LYS N 50188 1 101 DHN . 1 1 201 201 LEU H H 1 . . 1 1 201 201 LEU N N 15 . -26.036 . . 1 . . . . 307 LEU H . 307 LEU N 50188 1 102 DHN . 1 1 203 203 ARG H H 1 . . 1 1 203 203 ARG N N 15 . 22.773 . . 1 . . . . 309 ARG H . 309 ARG N 50188 1 103 DHN . 1 1 204 204 GLY H H 1 . . 1 1 204 204 GLY N N 15 . 6.456 . . 1 . . . . 310 GLY H . 310 GLY N 50188 1 104 DHN . 1 1 205 205 VAL H H 1 . . 1 1 205 205 VAL N N 15 . -34.862 . . 1 . . . . 311 VAL H . 311 VAL N 50188 1 105 DHN . 1 1 206 206 ASN H H 1 . . 1 1 206 206 ASN N N 15 . -54.556 . . 1 . . . . 312 ASN H . 312 ASN N 50188 1 106 DHN . 1 1 207 207 MET H H 1 . . 1 1 207 207 MET N N 15 . 17.381 . . 1 . . . . 313 MET H . 313 MET N 50188 1 107 DHN . 1 1 208 208 PHE H H 1 . . 1 1 208 208 PHE N N 15 . 25.327 . . 1 . . . . 314 PHE H . 314 PHE N 50188 1 108 DHN . 1 1 211 211 ALA H H 1 . . 1 1 211 211 ALA N N 15 . 23.27 . . 1 . . . . 317 ALA H . 317 ALA N 50188 1 109 DHN . 1 1 212 212 ASN H H 1 . . 1 1 212 212 ASN N N 15 . 34.135 . . 1 . . . . 318 ASN H . 318 ASN N 50188 1 110 DHN . 1 1 215 215 LEU H H 1 . . 1 1 215 215 LEU N N 15 . 23.128 . . 1 . . . . 321 LEU H . 321 LEU N 50188 1 111 DHN . 1 1 216 216 ARG H H 1 . . 1 1 216 216 ARG N N 15 . 5.463 . . 1 . . . . 322 ARG H . 322 ARG N 50188 1 stop_ save_