data_30638 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30638 _BMRB_flat_file_name bmr30638.str _Entry_type original _Submission_date 2019-07-12 _Accession_date 2019-07-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1012 "13C chemical shifts" 799 "15N chemical shifts" 599 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-11 original BMRB . stop_ _Original_release_date 2019-09-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 entity_2 $entity_2 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 31023.424 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 280 _Mol_residue_sequence ; MAAKKDYYAILGVPRNATQE EIKRAYKRLARQYHPDVNKS PEAEEKFKEINEAYAVLSDP EKRRIYDTYGTTEAPPPPPP GGYDFSGFDVEDFSEFFQEL FGPGLFGGFGRRSRKGRDLR AELPLTLEEAFHGGERVVEV AGRRVSVRIPPGVREGSVIR VPGMGGQGNPPGDLLLVVRL LPHPVFRLEGQDLYATLDVP APIAVVGGKVRAMTLEGPVE VAVPPRTQAGRKLRLKGKGF PGPAGRGDLYLEVRITIPER LTPEEEALWKKLAEAYYARA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 LYS 5 LYS 6 ASP 7 TYR 8 TYR 9 ALA 10 ILE 11 LEU 12 GLY 13 VAL 14 PRO 15 ARG 16 ASN 17 ALA 18 THR 19 GLN 20 GLU 21 GLU 22 ILE 23 LYS 24 ARG 25 ALA 26 TYR 27 LYS 28 ARG 29 LEU 30 ALA 31 ARG 32 GLN 33 TYR 34 HIS 35 PRO 36 ASP 37 VAL 38 ASN 39 LYS 40 SER 41 PRO 42 GLU 43 ALA 44 GLU 45 GLU 46 LYS 47 PHE 48 LYS 49 GLU 50 ILE 51 ASN 52 GLU 53 ALA 54 TYR 55 ALA 56 VAL 57 LEU 58 SER 59 ASP 60 PRO 61 GLU 62 LYS 63 ARG 64 ARG 65 ILE 66 TYR 67 ASP 68 THR 69 TYR 70 GLY 71 THR 72 THR 73 GLU 74 ALA 75 PRO 76 PRO 77 PRO 78 PRO 79 PRO 80 PRO 81 GLY 82 GLY 83 TYR 84 ASP 85 PHE 86 SER 87 GLY 88 PHE 89 ASP 90 VAL 91 GLU 92 ASP 93 PHE 94 SER 95 GLU 96 PHE 97 PHE 98 GLN 99 GLU 100 LEU 101 PHE 102 GLY 103 PRO 104 GLY 105 LEU 106 PHE 107 GLY 108 GLY 109 PHE 110 GLY 111 ARG 112 ARG 113 SER 114 ARG 115 LYS 116 GLY 117 ARG 118 ASP 119 LEU 120 ARG 121 ALA 122 GLU 123 LEU 124 PRO 125 LEU 126 THR 127 LEU 128 GLU 129 GLU 130 ALA 131 PHE 132 HIS 133 GLY 134 GLY 135 GLU 136 ARG 137 VAL 138 VAL 139 GLU 140 VAL 141 ALA 142 GLY 143 ARG 144 ARG 145 VAL 146 SER 147 VAL 148 ARG 149 ILE 150 PRO 151 PRO 152 GLY 153 VAL 154 ARG 155 GLU 156 GLY 157 SER 158 VAL 159 ILE 160 ARG 161 VAL 162 PRO 163 GLY 164 MET 165 GLY 166 GLY 167 GLN 168 GLY 169 ASN 170 PRO 171 PRO 172 GLY 173 ASP 174 LEU 175 LEU 176 LEU 177 VAL 178 VAL 179 ARG 180 LEU 181 LEU 182 PRO 183 HIS 184 PRO 185 VAL 186 PHE 187 ARG 188 LEU 189 GLU 190 GLY 191 GLN 192 ASP 193 LEU 194 TYR 195 ALA 196 THR 197 LEU 198 ASP 199 VAL 200 PRO 201 ALA 202 PRO 203 ILE 204 ALA 205 VAL 206 VAL 207 GLY 208 GLY 209 LYS 210 VAL 211 ARG 212 ALA 213 MET 214 THR 215 LEU 216 GLU 217 GLY 218 PRO 219 VAL 220 GLU 221 VAL 222 ALA 223 VAL 224 PRO 225 PRO 226 ARG 227 THR 228 GLN 229 ALA 230 GLY 231 ARG 232 LYS 233 LEU 234 ARG 235 LEU 236 LYS 237 GLY 238 LYS 239 GLY 240 PHE 241 PRO 242 GLY 243 PRO 244 ALA 245 GLY 246 ARG 247 GLY 248 ASP 249 LEU 250 TYR 251 LEU 252 GLU 253 VAL 254 ARG 255 ILE 256 THR 257 ILE 258 PRO 259 GLU 260 ARG 261 LEU 262 THR 263 PRO 264 GLU 265 GLU 266 GLU 267 ALA 268 LEU 269 TRP 270 LYS 271 LYS 272 LEU 273 ALA 274 GLU 275 ALA 276 TYR 277 TYR 278 ALA 279 ARG 280 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 49492.367 _Mol_thiol_state . _Details . _Residue_count 471 _Mol_residue_sequence ; MKQSTIALALLPLLFTPVTK ARTPEMPVLENRAAQGDITA PGGARRLTGDQTAALRDSLS DKPAKNIILLIGDGMGDSEI TAARNYAEGAGGFFKGIDAL PLTGQYTHYALNKKTGKPDY VTDSAASATAWSTGVKTYNG ALGVDIHEKDHPTILEMAKA AGLATGNVSTAELQDATPAA LVAHVTSRKCYGPSATSEKC PGNALEKGGKGSITEQLLNA RADVTLGGGAKTFAETATAG EWQGKTLREQAQARGYQLVS DAASLNSVTEANQQKPLLGL FADGNMPVRWLGPKATYHGN IDKPAVTCTPNPQRNDSVPT LAQMTDKAIELLSKNEKGFF LQVEGASIDKQDHAANPCGQ IGETVDLDEAVQRALEFAKK EGNTLVIVTADHAHASQIVA PDTKAPGLTQALNTKDGAVM VMSYGNSEEDSQEHTGSQLR IAAYGPHAANVVGLTDQTDL FYTMKAALGLK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLN 4 SER 5 THR 6 ILE 7 ALA 8 LEU 9 ALA 10 LEU 11 LEU 12 PRO 13 LEU 14 LEU 15 PHE 16 THR 17 PRO 18 VAL 19 THR 20 LYS 21 ALA 22 ARG 23 THR 24 PRO 25 GLU 26 MET 27 PRO 28 VAL 29 LEU 30 GLU 31 ASN 32 ARG 33 ALA 34 ALA 35 GLN 36 GLY 37 ASP 38 ILE 39 THR 40 ALA 41 PRO 42 GLY 43 GLY 44 ALA 45 ARG 46 ARG 47 LEU 48 THR 49 GLY 50 ASP 51 GLN 52 THR 53 ALA 54 ALA 55 LEU 56 ARG 57 ASP 58 SER 59 LEU 60 SER 61 ASP 62 LYS 63 PRO 64 ALA 65 LYS 66 ASN 67 ILE 68 ILE 69 LEU 70 LEU 71 ILE 72 GLY 73 ASP 74 GLY 75 MET 76 GLY 77 ASP 78 SER 79 GLU 80 ILE 81 THR 82 ALA 83 ALA 84 ARG 85 ASN 86 TYR 87 ALA 88 GLU 89 GLY 90 ALA 91 GLY 92 GLY 93 PHE 94 PHE 95 LYS 96 GLY 97 ILE 98 ASP 99 ALA 100 LEU 101 PRO 102 LEU 103 THR 104 GLY 105 GLN 106 TYR 107 THR 108 HIS 109 TYR 110 ALA 111 LEU 112 ASN 113 LYS 114 LYS 115 THR 116 GLY 117 LYS 118 PRO 119 ASP 120 TYR 121 VAL 122 THR 123 ASP 124 SER 125 ALA 126 ALA 127 SER 128 ALA 129 THR 130 ALA 131 TRP 132 SER 133 THR 134 GLY 135 VAL 136 LYS 137 THR 138 TYR 139 ASN 140 GLY 141 ALA 142 LEU 143 GLY 144 VAL 145 ASP 146 ILE 147 HIS 148 GLU 149 LYS 150 ASP 151 HIS 152 PRO 153 THR 154 ILE 155 LEU 156 GLU 157 MET 158 ALA 159 LYS 160 ALA 161 ALA 162 GLY 163 LEU 164 ALA 165 THR 166 GLY 167 ASN 168 VAL 169 SER 170 THR 171 ALA 172 GLU 173 LEU 174 GLN 175 ASP 176 ALA 177 THR 178 PRO 179 ALA 180 ALA 181 LEU 182 VAL 183 ALA 184 HIS 185 VAL 186 THR 187 SER 188 ARG 189 LYS 190 CYS 191 TYR 192 GLY 193 PRO 194 SER 195 ALA 196 THR 197 SER 198 GLU 199 LYS 200 CYS 201 PRO 202 GLY 203 ASN 204 ALA 205 LEU 206 GLU 207 LYS 208 GLY 209 GLY 210 LYS 211 GLY 212 SER 213 ILE 214 THR 215 GLU 216 GLN 217 LEU 218 LEU 219 ASN 220 ALA 221 ARG 222 ALA 223 ASP 224 VAL 225 THR 226 LEU 227 GLY 228 GLY 229 GLY 230 ALA 231 LYS 232 THR 233 PHE 234 ALA 235 GLU 236 THR 237 ALA 238 THR 239 ALA 240 GLY 241 GLU 242 TRP 243 GLN 244 GLY 245 LYS 246 THR 247 LEU 248 ARG 249 GLU 250 GLN 251 ALA 252 GLN 253 ALA 254 ARG 255 GLY 256 TYR 257 GLN 258 LEU 259 VAL 260 SER 261 ASP 262 ALA 263 ALA 264 SER 265 LEU 266 ASN 267 SER 268 VAL 269 THR 270 GLU 271 ALA 272 ASN 273 GLN 274 GLN 275 LYS 276 PRO 277 LEU 278 LEU 279 GLY 280 LEU 281 PHE 282 ALA 283 ASP 284 GLY 285 ASN 286 MET 287 PRO 288 VAL 289 ARG 290 TRP 291 LEU 292 GLY 293 PRO 294 LYS 295 ALA 296 THR 297 TYR 298 HIS 299 GLY 300 ASN 301 ILE 302 ASP 303 LYS 304 PRO 305 ALA 306 VAL 307 THR 308 CYS 309 THR 310 PRO 311 ASN 312 PRO 313 GLN 314 ARG 315 ASN 316 ASP 317 SER 318 VAL 319 PRO 320 THR 321 LEU 322 ALA 323 GLN 324 MET 325 THR 326 ASP 327 LYS 328 ALA 329 ILE 330 GLU 331 LEU 332 LEU 333 SER 334 LYS 335 ASN 336 GLU 337 LYS 338 GLY 339 PHE 340 PHE 341 LEU 342 GLN 343 VAL 344 GLU 345 GLY 346 ALA 347 SER 348 ILE 349 ASP 350 LYS 351 GLN 352 ASP 353 HIS 354 ALA 355 ALA 356 ASN 357 PRO 358 CYS 359 GLY 360 GLN 361 ILE 362 GLY 363 GLU 364 THR 365 VAL 366 ASP 367 LEU 368 ASP 369 GLU 370 ALA 371 VAL 372 GLN 373 ARG 374 ALA 375 LEU 376 GLU 377 PHE 378 ALA 379 LYS 380 LYS 381 GLU 382 GLY 383 ASN 384 THR 385 LEU 386 VAL 387 ILE 388 VAL 389 THR 390 ALA 391 ASP 392 HIS 393 ALA 394 HIS 395 ALA 396 SER 397 GLN 398 ILE 399 VAL 400 ALA 401 PRO 402 ASP 403 THR 404 LYS 405 ALA 406 PRO 407 GLY 408 LEU 409 THR 410 GLN 411 ALA 412 LEU 413 ASN 414 THR 415 LYS 416 ASP 417 GLY 418 ALA 419 VAL 420 MET 421 VAL 422 MET 423 SER 424 TYR 425 GLY 426 ASN 427 SER 428 GLU 429 GLU 430 ASP 431 SER 432 GLN 433 GLU 434 HIS 435 THR 436 GLY 437 SER 438 GLN 439 LEU 440 ARG 441 ILE 442 ALA 443 ALA 444 TYR 445 GLY 446 PRO 447 HIS 448 ALA 449 ALA 450 ASN 451 VAL 452 VAL 453 GLY 454 LEU 455 THR 456 ASP 457 GLN 458 THR 459 ASP 460 LEU 461 PHE 462 TYR 463 THR 464 MET 465 LYS 466 ALA 467 ALA 468 LEU 469 GLY 470 LEU 471 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $entity_1 'Thermus thermophilus' 300852 Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' 'dnaJ2, TTHA1489' . $entity_2 'E. coli' 562 Bacteria . Escherichia coli . . ; phoA, ACU57_12080, AUQ13_18595, BANRA_02023, BANRA_03586, BET08_14335, BHF46_20915, BUE81_15475, C4J69_09555, C5N07_12695, CA593_01230, D0X26_07375, D3821_12940, DNQ41_05820, EAI52_02910, EC3234A_4c00530, EC3426_01222, ECTO6_03716, ED648_16735, EEP23_01005, EL75_3367, EL79_3462, EL80_3416, NCTC13462_01945, NCTC9037_03964, NCTC9062_04458, RK56_026750, SAMEA3753300_00450, UN91_18770 ; stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) . $entity_2 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] PhoA_DnaJ, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium chloride' 75 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_8 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CNH-sofast_hmqc-NOESY-hmqc_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH-sofast hmqc-NOESY-hmqc' _Sample_label $sample_1 save_ save_3D_HNH-sofastNOESY-hmqc_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNH-sofastNOESY-hmqc' _Sample_label $sample_1 save_ save_3D_HCH-sofastNOESY-hmqc_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCH-sofastNOESY-hmqc' _Sample_label $sample_1 save_ save_3D_NCH-sofast_hmqc-NOESY-hmqc_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCH-sofast hmqc-NOESY-hmqc' _Sample_label $sample_1 save_ save_3D_CCH-sofast_hmqc-NOESY-hmqc_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-sofast hmqc-NOESY-hmqc' _Sample_label $sample_1 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 25 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-15N HSQC' '2D 1H-13C HMQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CNH-sofast hmqc-NOESY-hmqc' '3D HNH-sofastNOESY-hmqc' '3D HCH-sofastNOESY-hmqc' '3D NCH-sofast hmqc-NOESY-hmqc' '3D CCH-sofast hmqc-NOESY-hmqc' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 175.758 0.00 . 2 1 1 MET CA C 55.143 0.00 . 3 1 1 MET CB C 33.234 0.04 . 4 2 2 ALA H H 8.784 0.00 . 5 2 2 ALA HA H 4.292 0.00 . 6 2 2 ALA HB H 1.407 0.00 . 7 2 2 ALA C C 177.385 0.00 . 8 2 2 ALA CA C 52.259 0.13 . 9 2 2 ALA CB C 19.163 0.13 . 10 2 2 ALA N N 125.710 0.02 . 11 3 3 ALA H H 8.241 0.00 . 12 3 3 ALA HB H 1.330 0.00 . 13 3 3 ALA C C 177.192 0.00 . 14 3 3 ALA CA C 52.124 0.17 . 15 3 3 ALA CB C 18.844 0.11 . 16 3 3 ALA N N 123.521 0.04 . 17 4 4 LYS H H 7.953 0.00 . 18 4 4 LYS CA C 56.529 0.00 . 19 4 4 LYS CB C 33.126 0.00 . 20 4 4 LYS N N 120.731 0.03 . 21 7 7 TYR HA H 4.322 0.00 . 22 7 7 TYR HB3 H 2.757 0.00 . 23 7 7 TYR C C 176.887 0.00 . 24 7 7 TYR CA C 58.150 0.14 . 25 7 7 TYR CB C 38.159 0.13 . 26 8 8 TYR H H 7.520 0.00 . 27 8 8 TYR HA H 3.932 0.00 . 28 8 8 TYR HB2 H 3.030 0.00 . 29 8 8 TYR HB3 H 3.552 0.00 . 30 8 8 TYR C C 178.060 0.00 . 31 8 8 TYR CA C 61.937 0.08 . 32 8 8 TYR CB C 35.872 0.04 . 33 8 8 TYR N N 116.965 0.02 . 34 9 9 ALA H H 7.759 0.00 . 35 9 9 ALA HA H 4.145 0.01 . 36 9 9 ALA HB H 1.426 0.00 . 37 9 9 ALA C C 181.528 0.00 . 38 9 9 ALA CA C 54.267 0.11 . 39 9 9 ALA CB C 18.006 0.12 . 40 9 9 ALA N N 122.111 0.03 . 41 10 10 ILE H H 7.716 0.00 . 42 10 10 ILE HA H 3.648 0.00 . 43 10 10 ILE HB H 1.809 0.00 . 44 10 10 ILE HD1 H 0.854 0.01 . 45 10 10 ILE C C 177.261 0.00 . 46 10 10 ILE CA C 65.028 0.16 . 47 10 10 ILE CB C 38.242 0.03 . 48 10 10 ILE CG1 C 29.525 0.00 . 49 10 10 ILE CG2 C 18.091 0.00 . 50 10 10 ILE CD1 C 14.099 0.13 . 51 10 10 ILE N N 118.953 0.02 . 52 11 11 LEU H H 7.069 0.00 . 53 11 11 LEU HA H 4.372 0.00 . 54 11 11 LEU HB2 H 1.771 0.00 . 55 11 11 LEU HB3 H 1.615 0.00 . 56 11 11 LEU HD1 H 0.901 0.00 . 57 11 11 LEU HD2 H 1.018 0.00 . 58 11 11 LEU C C 175.615 0.00 . 59 11 11 LEU CA C 54.709 0.01 . 60 11 11 LEU CB C 42.575 0.11 . 61 11 11 LEU CD1 C 26.805 0.21 . 62 11 11 LEU CD2 C 23.339 0.16 . 63 11 11 LEU N N 114.852 0.02 . 64 12 12 GLY H H 7.994 0.00 . 65 12 12 GLY C C 175.335 0.00 . 66 12 12 GLY CA C 46.727 0.01 . 67 12 12 GLY N N 108.646 0.03 . 68 13 13 VAL H H 7.989 0.00 . 69 13 13 VAL HA H 4.982 0.00 . 70 13 13 VAL HG1 H 0.839 0.00 . 71 13 13 VAL HG2 H 1.019 0.00 . 72 13 13 VAL CA C 56.942 0.09 . 73 13 13 VAL CB C 32.865 0.00 . 74 13 13 VAL CG1 C 22.247 0.12 . 75 13 13 VAL CG2 C 18.750 0.10 . 76 13 13 VAL N N 111.448 0.01 . 77 14 14 PRO HA H 4.514 0.00 . 78 14 14 PRO HB3 H 1.990 0.00 . 79 14 14 PRO C C 176.820 0.00 . 80 14 14 PRO CA C 61.722 0.03 . 81 14 14 PRO CB C 32.660 0.08 . 82 14 14 PRO CG C 27.167 0.00 . 83 14 14 PRO CD C 50.126 0.00 . 84 15 15 ARG H H 8.149 0.00 . 85 15 15 ARG HA H 2.476 0.00 . 86 15 15 ARG C C 176.140 0.00 . 87 15 15 ARG CA C 57.835 0.05 . 88 15 15 ARG CB C 29.375 0.12 . 89 15 15 ARG CG C 27.355 0.00 . 90 15 15 ARG CD C 42.967 0.00 . 91 15 15 ARG N N 117.034 0.03 . 92 16 16 ASN H H 7.547 0.00 . 93 16 16 ASN CA C 51.111 0.04 . 94 16 16 ASN CB C 36.947 0.03 . 95 16 16 ASN N N 112.765 0.02 . 96 17 17 ALA H H 7.482 0.00 . 97 17 17 ALA HA H 4.380 0.00 . 98 17 17 ALA HB H 1.565 0.00 . 99 17 17 ALA C C 178.675 0.00 . 100 17 17 ALA CA C 52.550 0.09 . 101 17 17 ALA CB C 19.686 0.13 . 102 17 17 ALA N N 121.500 0.01 . 103 18 18 THR H H 9.053 0.00 . 104 18 18 THR HG2 H 1.457 0.00 . 105 18 18 THR C C 175.981 0.00 . 106 18 18 THR CA C 60.713 0.09 . 107 18 18 THR CB C 71.203 0.06 . 108 18 18 THR CG2 C 21.786 0.12 . 109 18 18 THR N N 113.119 0.02 . 110 19 19 GLN H H 9.087 0.00 . 111 19 19 GLN HA H 4.131 0.00 . 112 19 19 GLN C C 179.370 0.00 . 113 19 19 GLN CA C 58.731 0.05 . 114 19 19 GLN CB C 27.903 0.17 . 115 19 19 GLN CG C 34.341 0.00 . 116 19 19 GLN N N 118.402 0.06 . 117 20 20 GLU H H 8.701 0.00 . 118 20 20 GLU HA H 4.139 0.00 . 119 20 20 GLU HB3 H 2.159 0.00 . 120 20 20 GLU C C 178.868 0.00 . 121 20 20 GLU CA C 60.211 0.17 . 122 20 20 GLU CB C 29.095 0.20 . 123 20 20 GLU N N 119.897 0.02 . 124 21 21 GLU H H 7.876 0.00 . 125 21 21 GLU HB3 H 2.467 0.00 . 126 21 21 GLU C C 180.040 0.00 . 127 21 21 GLU CA C 59.851 0.06 . 128 21 21 GLU CB C 30.064 0.14 . 129 21 21 GLU N N 120.897 0.03 . 130 22 22 ILE H H 8.060 0.00 . 131 22 22 ILE HA H 3.633 0.00 . 132 22 22 ILE HB H 2.037 0.00 . 133 22 22 ILE HG2 H 0.840 0.00 . 134 22 22 ILE HD1 H 0.815 0.01 . 135 22 22 ILE C C 176.606 0.00 . 136 22 22 ILE CA C 66.292 0.13 . 137 22 22 ILE CB C 38.313 0.13 . 138 22 22 ILE CG1 C 31.308 0.00 . 139 22 22 ILE CG2 C 17.029 0.09 . 140 22 22 ILE CD1 C 13.847 0.12 . 141 22 22 ILE N N 121.996 0.02 . 142 23 23 LYS H H 8.119 0.00 . 143 23 23 LYS HA H 4.270 0.00 . 144 23 23 LYS C C 178.511 0.00 . 145 23 23 LYS CA C 60.561 0.04 . 146 23 23 LYS CB C 32.393 0.06 . 147 23 23 LYS CG C 24.861 0.00 . 148 23 23 LYS N N 119.964 0.02 . 149 24 24 ARG H H 8.331 0.00 . 150 24 24 ARG HA H 3.977 0.00 . 151 24 24 ARG C C 179.176 0.00 . 152 24 24 ARG CA C 60.041 0.06 . 153 24 24 ARG CB C 30.612 0.08 . 154 24 24 ARG CG C 27.645 0.00 . 155 24 24 ARG CD C 43.515 0.00 . 156 24 24 ARG N N 118.350 0.02 . 157 25 25 ALA H H 8.060 0.00 . 158 25 25 ALA HA H 4.178 0.00 . 159 25 25 ALA HB H 1.671 0.00 . 160 25 25 ALA C C 179.634 0.00 . 161 25 25 ALA CA C 55.249 0.14 . 162 25 25 ALA CB C 18.869 0.10 . 163 25 25 ALA N N 122.507 0.02 . 164 26 26 TYR H H 8.300 0.00 . 165 26 26 TYR HA H 3.878 0.00 . 166 26 26 TYR C C 176.249 0.00 . 167 26 26 TYR CA C 61.941 0.13 . 168 26 26 TYR CB C 39.284 0.14 . 169 26 26 TYR N N 117.334 0.04 . 170 27 27 LYS H H 8.286 0.00 . 171 27 27 LYS HA H 3.564 0.00 . 172 27 27 LYS C C 179.484 0.00 . 173 27 27 LYS CA C 59.786 0.04 . 174 27 27 LYS CB C 32.016 0.07 . 175 27 27 LYS CG C 25.259 0.00 . 176 27 27 LYS CE C 41.828 0.00 . 177 27 27 LYS N N 117.177 0.03 . 178 28 28 ARG H H 7.608 0.00 . 179 28 28 ARG HA H 4.024 0.00 . 180 28 28 ARG C C 179.090 0.00 . 181 28 28 ARG CA C 59.247 0.22 . 182 28 28 ARG CB C 30.249 0.09 . 183 28 28 ARG CD C 43.243 0.00 . 184 28 28 ARG N N 117.837 0.02 . 185 29 29 LEU H H 8.076 0.00 . 186 29 29 LEU HA H 4.162 0.00 . 187 29 29 LEU HD1 H 1.065 0.00 . 188 29 29 LEU HD2 H 1.047 0.00 . 189 29 29 LEU C C 179.184 0.00 . 190 29 29 LEU CA C 57.723 0.15 . 191 29 29 LEU CB C 42.830 0.04 . 192 29 29 LEU CD1 C 26.578 0.05 . 193 29 29 LEU CD2 C 22.915 0.18 . 194 29 29 LEU N N 121.018 0.03 . 195 30 30 ALA H H 9.211 0.00 . 196 30 30 ALA HA H 3.948 0.00 . 197 30 30 ALA HB H 1.044 0.00 . 198 30 30 ALA C C 179.475 0.00 . 199 30 30 ALA CA C 55.457 0.14 . 200 30 30 ALA CB C 16.981 0.10 . 201 30 30 ALA N N 122.683 0.03 . 202 31 31 ARG H H 7.106 0.00 . 203 31 31 ARG HA H 4.070 0.00 . 204 31 31 ARG C C 177.123 0.00 . 205 31 31 ARG CA C 58.148 0.02 . 206 31 31 ARG CB C 29.869 0.00 . 207 31 31 ARG CG C 26.813 0.00 . 208 31 31 ARG CD C 43.062 0.00 . 209 31 31 ARG N N 113.802 0.02 . 210 32 32 GLN H H 7.281 0.00 . 211 32 32 GLN HA H 4.015 0.00 . 212 32 32 GLN HB2 H 1.628 0.00 . 213 32 32 GLN HB3 H 1.832 0.00 . 214 32 32 GLN C C 177.525 0.00 . 215 32 32 GLN CA C 57.517 0.05 . 216 32 32 GLN CB C 29.415 0.08 . 217 32 32 GLN CG C 33.095 0.00 . 218 32 32 GLN N N 115.617 0.02 . 219 33 33 TYR H H 7.662 0.00 . 220 33 33 TYR HA H 4.598 0.00 . 221 33 33 TYR HB2 H 2.456 0.00 . 222 33 33 TYR HB3 H 3.638 0.00 . 223 33 33 TYR C C 172.439 0.00 . 224 33 33 TYR CA C 58.133 0.07 . 225 33 33 TYR CB C 39.480 0.07 . 226 33 33 TYR N N 114.256 0.02 . 227 34 34 HIS H H 7.314 0.00 . 228 34 34 HIS CA C 56.574 0.00 . 229 34 34 HIS CB C 31.230 0.00 . 230 34 34 HIS N N 121.275 0.01 . 231 36 36 ASP HA H 4.486 0.00 . 232 36 36 ASP C C 177.588 0.00 . 233 36 36 ASP CA C 56.497 0.00 . 234 36 36 ASP CB C 40.392 0.03 . 235 37 37 VAL H H 8.015 0.00 . 236 37 37 VAL HA H 4.206 0.00 . 237 37 37 VAL HG1 H 0.874 0.00 . 238 37 37 VAL HG2 H 0.873 0.01 . 239 37 37 VAL C C 175.362 0.00 . 240 37 37 VAL CA C 62.217 0.04 . 241 37 37 VAL CB C 33.828 0.09 . 242 37 37 VAL CG1 C 20.992 0.09 . 243 37 37 VAL CG2 C 20.172 0.06 . 244 37 37 VAL N N 115.066 0.02 . 245 38 38 ASN H H 8.278 0.00 . 246 38 38 ASN HA H 4.716 0.00 . 247 38 38 ASN CA C 52.512 0.01 . 248 38 38 ASN CB C 39.306 0.09 . 249 38 38 ASN N N 120.888 0.02 . 250 39 39 LYS H H 8.545 0.00 . 251 39 39 LYS HA H 4.462 0.00 . 252 39 39 LYS C C 176.986 0.00 . 253 39 39 LYS CA C 54.864 0.05 . 254 39 39 LYS CB C 31.738 0.06 . 255 39 39 LYS CG C 24.368 0.00 . 256 39 39 LYS N N 122.422 0.02 . 257 40 40 SER H H 8.301 0.00 . 258 40 40 SER CA C 57.456 0.00 . 259 40 40 SER CB C 63.441 0.00 . 260 40 40 SER N N 118.134 0.02 . 261 41 41 PRO HA H 4.461 0.00 . 262 41 41 PRO HB2 H 2.019 0.00 . 263 41 41 PRO HB3 H 2.456 0.00 . 264 41 41 PRO C C 178.979 0.00 . 265 41 41 PRO CA C 65.610 0.00 . 266 41 41 PRO CB C 31.799 0.06 . 267 41 41 PRO CG C 27.409 0.00 . 268 41 41 PRO CD C 50.567 0.00 . 269 42 42 GLU H H 8.788 0.00 . 270 42 42 GLU HA H 4.248 0.00 . 271 42 42 GLU C C 178.040 0.00 . 272 42 42 GLU CA C 58.656 0.01 . 273 42 42 GLU CB C 29.030 0.05 . 274 42 42 GLU CG C 36.109 0.00 . 275 42 42 GLU N N 116.929 0.02 . 276 43 43 ALA H H 7.775 0.00 . 277 43 43 ALA HA H 4.029 0.00 . 278 43 43 ALA HB H 1.596 0.00 . 279 43 43 ALA C C 178.476 0.00 . 280 43 43 ALA CA C 55.755 0.07 . 281 43 43 ALA CB C 18.155 0.13 . 282 43 43 ALA N N 122.897 0.02 . 283 44 44 GLU H H 7.957 0.00 . 284 44 44 GLU HA H 4.164 0.00 . 285 44 44 GLU C C 179.361 0.00 . 286 44 44 GLU CA C 59.956 0.12 . 287 44 44 GLU CB C 29.500 0.05 . 288 44 44 GLU CG C 36.263 0.00 . 289 44 44 GLU N N 117.782 0.02 . 290 45 45 GLU H H 7.921 0.00 . 291 45 45 GLU HA H 4.093 0.00 . 292 45 45 GLU C C 179.224 0.00 . 293 45 45 GLU CA C 59.157 0.21 . 294 45 45 GLU CB C 29.539 0.12 . 295 45 45 GLU N N 118.623 0.02 . 296 46 46 LYS H H 7.807 0.00 . 297 46 46 LYS HA H 3.972 0.00 . 298 46 46 LYS HB2 H 1.093 0.00 . 299 46 46 LYS HB3 H 1.462 0.00 . 300 46 46 LYS C C 179.008 0.00 . 301 46 46 LYS CA C 58.457 0.03 . 302 46 46 LYS CB C 31.347 0.09 . 303 46 46 LYS CG C 24.351 0.00 . 304 46 46 LYS CE C 41.582 0.00 . 305 46 46 LYS N N 119.354 0.02 . 306 47 47 PHE H H 9.094 0.00 . 307 47 47 PHE HA H 4.194 0.00 . 308 47 47 PHE HB2 H 3.142 0.00 . 309 47 47 PHE HB3 H 3.451 0.00 . 310 47 47 PHE C C 177.585 0.00 . 311 47 47 PHE CA C 61.116 0.10 . 312 47 47 PHE CB C 39.005 0.04 . 313 47 47 PHE N N 119.914 0.04 . 314 48 48 LYS H H 7.864 0.00 . 315 48 48 LYS HA H 4.142 0.00 . 316 48 48 LYS C C 179.017 0.00 . 317 48 48 LYS CA C 60.357 0.06 . 318 48 48 LYS CB C 32.272 0.07 . 319 48 48 LYS CG C 25.153 0.00 . 320 48 48 LYS CD C 29.402 0.00 . 321 48 48 LYS N N 118.711 0.02 . 322 49 49 GLU H H 7.507 0.00 . 323 49 49 GLU C C 178.580 0.00 . 324 49 49 GLU CA C 59.740 0.09 . 325 49 49 GLU CB C 30.009 0.07 . 326 49 49 GLU CG C 36.957 0.00 . 327 49 49 GLU N N 118.916 0.02 . 328 50 50 ILE H H 8.084 0.00 . 329 50 50 ILE HA H 3.619 0.00 . 330 50 50 ILE HD1 H 0.791 0.00 . 331 50 50 ILE C C 177.362 0.00 . 332 50 50 ILE CA C 65.266 0.15 . 333 50 50 ILE CB C 38.421 0.07 . 334 50 50 ILE CG1 C 28.820 0.00 . 335 50 50 ILE CG2 C 17.675 0.00 . 336 50 50 ILE CD1 C 15.646 0.13 . 337 50 50 ILE N N 118.354 0.03 . 338 51 51 ASN H H 7.996 0.00 . 339 51 51 ASN HA H 4.509 0.00 . 340 51 51 ASN CA C 56.787 0.02 . 341 51 51 ASN CB C 38.505 0.05 . 342 51 51 ASN N N 119.670 0.01 . 343 52 52 GLU H H 7.502 0.00 . 344 52 52 GLU HA H 2.209 0.00 . 345 52 52 GLU HB3 H 1.441 0.00 . 346 52 52 GLU C C 175.781 0.00 . 347 52 52 GLU CA C 59.099 0.05 . 348 52 52 GLU CB C 28.809 0.07 . 349 52 52 GLU CG C 34.693 0.00 . 350 52 52 GLU N N 121.674 0.04 . 351 53 53 ALA H H 7.473 0.00 . 352 53 53 ALA HA H 2.643 0.01 . 353 53 53 ALA HB H 1.325 0.00 . 354 53 53 ALA C C 179.013 0.00 . 355 53 53 ALA CA C 54.008 0.11 . 356 53 53 ALA CB C 18.799 0.09 . 357 53 53 ALA N N 116.654 0.03 . 358 54 54 TYR H H 8.233 0.00 . 359 54 54 TYR HA H 3.698 0.00 . 360 54 54 TYR HB2 H 2.424 0.00 . 361 54 54 TYR HB3 H 2.751 0.00 . 362 54 54 TYR C C 177.156 0.00 . 363 54 54 TYR CA C 61.134 0.04 . 364 54 54 TYR CB C 40.284 0.05 . 365 54 54 TYR N N 116.587 0.02 . 366 55 55 ALA H H 8.393 0.00 . 367 55 55 ALA HA H 2.663 0.00 . 368 55 55 ALA HB H 0.504 0.00 . 369 55 55 ALA C C 177.561 0.00 . 370 55 55 ALA CA C 55.537 0.03 . 371 55 55 ALA CB C 16.765 0.11 . 372 55 55 ALA N N 124.497 0.02 . 373 56 56 VAL H H 6.482 0.00 . 374 56 56 VAL HA H 3.270 0.00 . 375 56 56 VAL HG1 H 0.818 0.00 . 376 56 56 VAL HG2 H 0.711 0.00 . 377 56 56 VAL C C 175.244 0.00 . 378 56 56 VAL CA C 65.543 0.07 . 379 56 56 VAL CB C 32.043 0.08 . 380 56 56 VAL CG1 C 22.423 0.21 . 381 56 56 VAL CG2 C 21.547 0.04 . 382 56 56 VAL N N 112.545 0.02 . 383 57 57 LEU H H 7.765 0.00 . 384 57 57 LEU HA H 3.723 0.00 . 385 57 57 LEU HB2 H 1.248 0.00 . 386 57 57 LEU HB3 H 1.419 0.00 . 387 57 57 LEU HD1 H 0.186 0.00 . 388 57 57 LEU HD2 H 0.455 0.00 . 389 57 57 LEU C C 177.821 0.00 . 390 57 57 LEU CA C 56.476 0.01 . 391 57 57 LEU CB C 42.342 0.06 . 392 57 57 LEU CD1 C 25.454 0.16 . 393 57 57 LEU CD2 C 22.955 0.14 . 394 57 57 LEU N N 110.473 0.03 . 395 58 58 SER H H 7.869 0.00 . 396 58 58 SER HA H 3.862 0.00 . 397 58 58 SER HB2 H 2.593 0.00 . 398 58 58 SER HB3 H 3.396 0.00 . 399 58 58 SER C C 173.112 0.00 . 400 58 58 SER CA C 59.847 0.22 . 401 58 58 SER CB C 63.238 0.27 . 402 58 58 SER N N 108.287 0.01 . 403 59 59 ASP H H 6.612 0.00 . 404 59 59 ASP CA C 49.051 0.00 . 405 59 59 ASP CB C 43.229 0.00 . 406 59 59 ASP N N 121.753 0.02 . 407 60 60 PRO HA H 4.111 0.00 . 408 60 60 PRO HB2 H 2.076 0.00 . 409 60 60 PRO HB3 H 2.446 0.00 . 410 60 60 PRO C C 178.793 0.00 . 411 60 60 PRO CA C 65.472 0.00 . 412 60 60 PRO CB C 32.825 0.03 . 413 60 60 PRO CG C 27.224 0.00 . 414 60 60 PRO CD C 50.877 0.00 . 415 61 61 GLU H H 8.160 0.00 . 416 61 61 GLU HA H 4.316 0.00 . 417 61 61 GLU C C 179.205 0.00 . 418 61 61 GLU CA C 58.939 0.15 . 419 61 61 GLU CB C 29.720 0.03 . 420 61 61 GLU CG C 35.999 0.00 . 421 61 61 GLU N N 116.304 0.01 . 422 62 62 LYS H H 7.174 0.00 . 423 62 62 LYS HA H 4.146 0.00 . 424 62 62 LYS HB2 H 1.639 0.00 . 425 62 62 LYS HB3 H 2.460 0.00 . 426 62 62 LYS C C 178.309 0.00 . 427 62 62 LYS CA C 60.066 0.05 . 428 62 62 LYS CB C 32.508 0.03 . 429 62 62 LYS N N 119.607 0.02 . 430 63 63 ARG H H 9.046 0.00 . 431 63 63 ARG HA H 3.795 0.00 . 432 63 63 ARG C C 177.448 0.00 . 433 63 63 ARG CA C 60.036 0.03 . 434 63 63 ARG CB C 30.569 0.09 . 435 63 63 ARG CG C 25.597 0.00 . 436 63 63 ARG CD C 44.307 0.00 . 437 63 63 ARG N N 121.721 0.02 . 438 64 64 ARG H H 7.748 0.00 . 439 64 64 ARG HA H 4.310 0.00 . 440 64 64 ARG HB2 H 2.057 0.00 . 441 64 64 ARG HB3 H 2.057 0.00 . 442 64 64 ARG C C 179.453 0.00 . 443 64 64 ARG CA C 59.589 0.05 . 444 64 64 ARG CB C 29.810 0.12 . 445 64 64 ARG CG C 26.731 0.00 . 446 64 64 ARG CD C 43.054 0.00 . 447 64 64 ARG N N 117.577 0.02 . 448 65 65 ILE H H 7.533 0.00 . 449 65 65 ILE HA H 3.677 0.00 . 450 65 65 ILE HD1 H 1.072 0.00 . 451 65 65 ILE C C 178.042 0.00 . 452 65 65 ILE CA C 65.029 0.03 . 453 65 65 ILE CB C 37.852 0.12 . 454 65 65 ILE CG1 C 28.829 0.00 . 455 65 65 ILE CG2 C 16.675 0.00 . 456 65 65 ILE CD1 C 13.417 0.02 . 457 65 65 ILE N N 121.724 0.03 . 458 66 66 TYR H H 8.381 0.00 . 459 66 66 TYR HA H 4.249 0.00 . 460 66 66 TYR HB2 H 3.173 0.00 . 461 66 66 TYR HB3 H 3.337 0.00 . 462 66 66 TYR C C 177.532 0.00 . 463 66 66 TYR CA C 61.722 0.03 . 464 66 66 TYR CB C 39.092 0.07 . 465 66 66 TYR N N 120.595 0.03 . 466 67 67 ASP H H 9.599 0.00 . 467 67 67 ASP HA H 3.676 0.00 . 468 67 67 ASP HB2 H 2.713 0.00 . 469 67 67 ASP HB3 H 2.892 0.00 . 470 67 67 ASP C C 174.586 0.00 . 471 67 67 ASP CA C 57.155 0.06 . 472 67 67 ASP CB C 40.512 0.19 . 473 67 67 ASP N N 120.755 0.03 . 474 68 68 THR H H 7.850 0.00 . 475 68 68 THR HA H 4.250 0.00 . 476 68 68 THR HG2 H 1.189 0.00 . 477 68 68 THR C C 175.431 0.00 . 478 68 68 THR CA C 63.242 0.52 . 479 68 68 THR CB C 69.909 0.08 . 480 68 68 THR CG2 C 21.287 0.03 . 481 68 68 THR N N 110.494 0.07 . 482 69 69 TYR H H 7.880 0.00 . 483 69 69 TYR HA H 4.455 0.00 . 484 69 69 TYR HB2 H 3.081 0.00 . 485 69 69 TYR HB3 H 3.020 0.00 . 486 69 69 TYR C C 176.703 0.00 . 487 69 69 TYR CA C 59.846 0.16 . 488 69 69 TYR CB C 38.277 0.11 . 489 69 69 TYR N N 124.965 0.03 . 490 70 70 GLY H H 8.296 0.00 . 491 70 70 GLY HA2 H 3.939 0.00 . 492 70 70 GLY HA3 H 4.320 0.00 . 493 70 70 GLY C C 178.832 0.00 . 494 70 70 GLY CA C 45.642 0.05 . 495 70 70 GLY N N 113.168 0.02 . 496 71 71 THR H H 7.850 0.00 . 497 71 71 THR HA H 4.426 0.00 . 498 71 71 THR HB H 4.291 0.00 . 499 71 71 THR HG2 H 1.206 0.00 . 500 71 71 THR C C 174.898 0.00 . 501 71 71 THR CA C 62.715 0.51 . 502 71 71 THR CB C 69.951 0.15 . 503 71 71 THR CG2 C 21.392 0.11 . 504 71 71 THR N N 110.479 0.04 . 505 72 72 THR H H 7.779 0.00 . 506 72 72 THR HA H 4.425 0.03 . 507 72 72 THR HG2 H 1.190 0.00 . 508 72 72 THR C C 174.516 0.00 . 509 72 72 THR CA C 63.625 3.10 . 510 72 72 THR CB C 70.008 0.00 . 511 72 72 THR CG2 C 21.306 0.14 . 512 72 72 THR N N 111.463 0.03 . 513 73 73 GLU H H 8.291 0.01 . 514 73 73 GLU HA H 4.040 0.00 . 515 73 73 GLU HB2 H 1.958 0.00 . 516 73 73 GLU HB3 H 2.052 0.00 . 517 73 73 GLU CA C 56.921 0.03 . 518 73 73 GLU CB C 30.056 0.07 . 519 73 73 GLU CG C 36.184 0.00 . 520 73 73 GLU N N 121.104 0.03 . 521 74 74 ALA H H 8.020 0.00 . 522 74 74 ALA HB H 1.326 0.00 . 523 74 74 ALA CA C 49.870 0.00 . 524 74 74 ALA CB C 18.815 0.10 . 525 74 74 ALA N N 123.494 0.01 . 526 81 81 GLY C C 174.853 0.00 . 527 81 81 GLY CA C 45.125 0.14 . 528 82 82 GLY H H 8.035 0.00 . 529 82 82 GLY C C 172.696 0.00 . 530 82 82 GLY CA C 44.552 0.07 . 531 82 82 GLY N N 107.898 0.03 . 532 83 83 TYR H H 8.342 0.00 . 533 83 83 TYR HA H 4.520 0.00 . 534 83 83 TYR C C 174.892 0.00 . 535 83 83 TYR CA C 57.732 0.11 . 536 83 83 TYR CB C 41.839 0.02 . 537 83 83 TYR N N 116.638 0.01 . 538 84 84 ASP H H 8.891 0.01 . 539 84 84 ASP CA C 53.184 0.12 . 540 84 84 ASP CB C 41.631 0.02 . 541 84 84 ASP N N 121.916 0.02 . 542 85 85 PHE H H 8.768 0.00 . 543 85 85 PHE CA C 57.837 0.15 . 544 85 85 PHE CB C 39.734 0.08 . 545 85 85 PHE N N 126.321 0.01 . 546 86 86 SER H H 8.362 0.00 . 547 86 86 SER HA H 4.207 0.00 . 548 86 86 SER C C 175.261 0.00 . 549 86 86 SER CA C 61.743 0.06 . 550 86 86 SER CB C 63.209 0.01 . 551 86 86 SER N N 116.120 0.02 . 552 87 87 GLY H H 8.752 0.00 . 553 87 87 GLY HA2 H 3.913 0.00 . 554 87 87 GLY HA3 H 3.496 0.00 . 555 87 87 GLY C C 173.448 0.00 . 556 87 87 GLY CA C 44.772 0.01 . 557 87 87 GLY N N 112.042 0.02 . 558 88 88 PHE H H 8.180 0.00 . 559 88 88 PHE HA H 4.685 0.00 . 560 88 88 PHE C C 174.516 0.00 . 561 88 88 PHE CA C 57.203 0.18 . 562 88 88 PHE CB C 41.631 0.13 . 563 88 88 PHE N N 117.742 0.02 . 564 89 89 ASP H H 8.840 0.01 . 565 89 89 ASP HA H 4.755 0.00 . 566 89 89 ASP HB2 H 2.677 0.00 . 567 89 89 ASP HB3 H 2.463 0.00 . 568 89 89 ASP C C 176.048 0.00 . 569 89 89 ASP CA C 52.644 0.04 . 570 89 89 ASP CB C 39.519 0.09 . 571 89 89 ASP N N 123.631 0.02 . 572 90 90 VAL H H 7.264 0.00 . 573 90 90 VAL HA H 2.215 0.00 . 574 90 90 VAL HG1 H 0.424 0.00 . 575 90 90 VAL HG2 H 0.734 0.00 . 576 90 90 VAL C C 177.430 0.00 . 577 90 90 VAL CA C 62.155 0.11 . 578 90 90 VAL CB C 30.658 0.10 . 579 90 90 VAL CG1 C 21.429 0.02 . 580 90 90 VAL CG2 C 18.321 0.02 . 581 90 90 VAL N N 114.786 0.03 . 582 91 91 GLU H H 8.577 0.00 . 583 91 91 GLU HA H 3.938 0.00 . 584 91 91 GLU C C 176.872 0.00 . 585 91 91 GLU CA C 58.913 0.01 . 586 91 91 GLU CB C 28.718 0.03 . 587 91 91 GLU CG C 36.388 0.04 . 588 91 91 GLU N N 120.722 0.02 . 589 92 92 ASP H H 7.507 0.00 . 590 92 92 ASP HA H 4.802 0.00 . 591 92 92 ASP HB2 H 2.779 0.00 . 592 92 92 ASP HB3 H 2.517 0.00 . 593 92 92 ASP C C 176.499 0.00 . 594 92 92 ASP CA C 53.821 0.21 . 595 92 92 ASP CB C 41.549 0.18 . 596 92 92 ASP N N 116.385 0.04 . 597 93 93 PHE H H 7.026 0.00 . 598 93 93 PHE HA H 4.828 0.00 . 599 93 93 PHE HB2 H 2.541 0.00 . 600 93 93 PHE HB3 H 2.745 0.00 . 601 93 93 PHE C C 176.637 0.00 . 602 93 93 PHE CA C 54.001 0.05 . 603 93 93 PHE CB C 37.859 0.01 . 604 93 93 PHE N N 118.952 0.03 . 605 94 94 SER H H 9.328 0.00 . 606 94 94 SER HA H 4.510 0.00 . 607 94 94 SER C C 174.812 0.00 . 608 94 94 SER CA C 60.029 0.07 . 609 94 94 SER CB C 65.574 0.05 . 610 94 94 SER N N 116.304 0.02 . 611 95 95 GLU H H 9.012 0.00 . 612 95 95 GLU HA H 4.043 0.00 . 613 95 95 GLU C C 178.835 0.00 . 614 95 95 GLU CA C 60.002 0.08 . 615 95 95 GLU CB C 29.411 0.10 . 616 95 95 GLU CG C 36.554 0.00 . 617 95 95 GLU N N 119.840 0.03 . 618 96 96 PHE H H 8.172 0.00 . 619 96 96 PHE HA H 4.150 0.00 . 620 96 96 PHE HB2 H 3.046 0.00 . 621 96 96 PHE HB3 H 3.442 0.00 . 622 96 96 PHE C C 175.611 0.00 . 623 96 96 PHE CA C 61.520 0.09 . 624 96 96 PHE CB C 38.807 0.14 . 625 96 96 PHE N N 120.198 0.03 . 626 97 97 PHE H H 8.145 0.00 . 627 97 97 PHE CA C 60.948 1.92 . 628 97 97 PHE CB C 38.970 0.23 . 629 97 97 PHE N N 121.803 0.02 . 630 98 98 GLN H H 8.364 0.00 . 631 98 98 GLN HA H 3.835 0.00 . 632 98 98 GLN C C 179.189 0.00 . 633 98 98 GLN CA C 57.897 0.22 . 634 98 98 GLN CB C 27.226 0.03 . 635 98 98 GLN CG C 32.079 0.00 . 636 98 98 GLN N N 116.071 0.02 . 637 99 99 GLU H H 8.102 0.01 . 638 99 99 GLU HA H 3.931 0.00 . 639 99 99 GLU C C 177.188 0.00 . 640 99 99 GLU CA C 58.681 0.05 . 641 99 99 GLU CB C 29.658 0.06 . 642 99 99 GLU CG C 36.104 0.00 . 643 99 99 GLU N N 120.253 0.03 . 644 100 100 LEU H H 7.350 0.00 . 645 100 100 LEU HA H 3.558 0.00 . 646 100 100 LEU HB2 H 0.447 0.00 . 647 100 100 LEU HB3 H 0.651 0.00 . 648 100 100 LEU HD1 H 0.411 0.01 . 649 100 100 LEU HD2 H 0.095 0.00 . 650 100 100 LEU C C 176.437 0.00 . 651 100 100 LEU CA C 57.218 0.13 . 652 100 100 LEU CB C 42.044 0.07 . 653 100 100 LEU CD1 C 26.099 0.20 . 654 100 100 LEU CD2 C 22.219 0.03 . 655 100 100 LEU N N 118.111 0.02 . 656 101 101 PHE H H 7.853 0.00 . 657 101 101 PHE HA H 4.302 0.00 . 658 101 101 PHE HB2 H 1.448 0.00 . 659 101 101 PHE HB3 H 2.657 0.00 . 660 101 101 PHE C C 176.035 0.00 . 661 101 101 PHE CA C 58.553 0.06 . 662 101 101 PHE CB C 39.768 0.07 . 663 101 101 PHE N N 111.212 0.03 . 664 102 102 GLY H H 7.446 0.00 . 665 102 102 GLY CA C 48.551 0.00 . 666 102 102 GLY N N 108.749 0.02 . 667 103 103 PRO HA H 4.420 0.00 . 668 103 103 PRO HB2 H 1.720 0.00 . 669 103 103 PRO HB3 H 2.422 0.00 . 670 103 103 PRO C C 176.997 0.00 . 671 103 103 PRO CA C 65.326 0.11 . 672 103 103 PRO CB C 32.069 0.09 . 673 103 103 PRO CG C 27.824 0.00 . 674 103 103 PRO CD C 51.227 0.00 . 675 104 104 GLY H H 8.320 0.00 . 676 104 104 GLY HA2 H 3.541 0.00 . 677 104 104 GLY HA3 H 4.471 0.00 . 678 104 104 GLY C C 173.576 0.00 . 679 104 104 GLY CA C 45.229 0.04 . 680 104 104 GLY N N 101.690 0.02 . 681 105 105 LEU H H 7.850 0.00 . 682 105 105 LEU HA H 4.703 0.00 . 683 105 105 LEU HB2 H 1.787 0.00 . 684 105 105 LEU HB3 H 1.372 0.00 . 685 105 105 LEU HD1 H 0.878 0.00 . 686 105 105 LEU HD2 H 0.995 0.00 . 687 105 105 LEU C C 176.889 0.00 . 688 105 105 LEU CA C 54.506 0.01 . 689 105 105 LEU CB C 42.216 0.11 . 690 105 105 LEU CD1 C 25.510 0.03 . 691 105 105 LEU CD2 C 23.446 0.13 . 692 105 105 LEU N N 121.937 0.03 . 693 106 106 PHE H H 8.499 0.00 . 694 106 106 PHE HA H 4.670 0.00 . 695 106 106 PHE HB2 H 3.251 0.00 . 696 106 106 PHE HB3 H 3.079 0.00 . 697 106 106 PHE C C 176.697 0.00 . 698 106 106 PHE CA C 57.667 0.10 . 699 106 106 PHE CB C 38.782 0.03 . 700 106 106 PHE N N 120.590 0.02 . 701 107 107 GLY H H 8.463 0.01 . 702 107 107 GLY CA C 45.618 0.00 . 703 107 107 GLY N N 109.526 0.01 . 704 108 108 GLY C C 174.112 0.00 . 705 108 108 GLY CA C 45.329 0.01 . 706 109 109 PHE H H 8.069 0.00 . 707 109 109 PHE HA H 4.606 0.00 . 708 109 109 PHE HB2 H 3.231 0.00 . 709 109 109 PHE HB3 H 3.045 0.00 . 710 109 109 PHE C C 176.505 0.00 . 711 109 109 PHE CA C 58.174 0.01 . 712 109 109 PHE CB C 39.446 0.13 . 713 109 109 PHE N N 119.332 0.01 . 714 110 110 GLY H H 8.418 0.00 . 715 110 110 GLY CA C 45.526 0.00 . 716 110 110 GLY N N 109.492 0.00 . 717 114 114 ARG CA C 56.199 0.00 . 718 114 114 ARG CB C 30.955 0.00 . 719 114 114 ARG CG C 26.823 0.00 . 720 114 114 ARG CD C 43.342 0.00 . 721 115 115 LYS H H 8.333 0.00 . 722 115 115 LYS C C 175.906 0.00 . 723 115 115 LYS CA C 56.360 0.01 . 724 115 115 LYS CB C 33.125 0.01 . 725 115 115 LYS CG C 24.401 0.00 . 726 115 115 LYS CD C 28.711 0.00 . 727 115 115 LYS CE C 41.903 0.00 . 728 115 115 LYS N N 122.931 0.04 . 729 116 116 GLY H H 8.697 0.01 . 730 116 116 GLY CA C 45.187 0.00 . 731 116 116 GLY N N 109.837 0.11 . 732 117 117 ARG H H 8.284 0.01 . 733 117 117 ARG CA C 55.590 0.01 . 734 117 117 ARG CB C 31.191 0.01 . 735 117 117 ARG N N 119.796 0.07 . 736 118 118 ASP H H 8.446 0.04 . 737 118 118 ASP CA C 54.960 0.08 . 738 118 118 ASP CB C 40.719 0.01 . 739 118 118 ASP N N 123.499 0.14 . 740 119 119 LEU H H 8.576 0.07 . 741 119 119 LEU HD1 H 0.791 0.00 . 742 119 119 LEU HD2 H 0.878 0.00 . 743 119 119 LEU CA C 53.296 0.03 . 744 119 119 LEU CB C 45.734 0.04 . 745 119 119 LEU CD1 C 24.401 0.03 . 746 119 119 LEU CD2 C 24.321 0.00 . 747 119 119 LEU N N 121.816 0.93 . 748 120 120 ARG H H 8.688 0.01 . 749 120 120 ARG CA C 54.385 0.00 . 750 120 120 ARG N N 123.115 1.11 . 751 121 121 ALA H H 8.920 0.06 . 752 121 121 ALA HB H 1.069 0.00 . 753 121 121 ALA CA C 51.042 0.00 . 754 121 121 ALA CB C 23.415 0.23 . 755 121 121 ALA N N 125.008 0.29 . 756 122 122 GLU H H 8.704 0.08 . 757 122 122 GLU CA C 55.967 0.00 . 758 122 122 GLU CB C 31.693 0.00 . 759 122 122 GLU N N 120.460 0.27 . 760 123 123 LEU H H 8.950 0.00 . 761 123 123 LEU HD1 H 0.789 0.00 . 762 123 123 LEU HD2 H 0.712 0.00 . 763 123 123 LEU CA C 50.883 0.00 . 764 123 123 LEU CB C 45.157 0.00 . 765 123 123 LEU CD1 C 24.059 0.01 . 766 123 123 LEU CD2 C 26.224 0.00 . 767 123 123 LEU N N 126.675 0.02 . 768 124 124 PRO CA C 61.121 0.00 . 769 124 124 PRO CB C 31.581 0.00 . 770 125 125 LEU H H 8.871 0.12 . 771 125 125 LEU HD1 H 0.705 0.00 . 772 125 125 LEU HD2 H 0.792 0.00 . 773 125 125 LEU CA C 53.036 0.00 . 774 125 125 LEU CB C 46.704 0.01 . 775 125 125 LEU CD1 C 27.545 0.00 . 776 125 125 LEU CD2 C 24.072 0.00 . 777 125 125 LEU N N 124.224 0.28 . 778 126 126 THR H H 9.003 0.00 . 779 126 126 THR HG2 H 1.440 0.00 . 780 126 126 THR CA C 60.867 0.02 . 781 126 126 THR CB C 71.023 0.01 . 782 126 126 THR CG2 C 22.495 0.02 . 783 126 126 THR N N 111.868 0.09 . 784 127 127 LEU H H 9.125 0.40 . 785 127 127 LEU HD1 H 0.781 0.00 . 786 127 127 LEU HD2 H 0.821 0.00 . 787 127 127 LEU CA C 58.786 0.02 . 788 127 127 LEU CB C 41.422 0.02 . 789 127 127 LEU CD1 C 24.869 0.00 . 790 127 127 LEU CD2 C 25.883 0.00 . 791 127 127 LEU N N 120.347 0.19 . 792 128 128 GLU H H 8.921 0.48 . 793 128 128 GLU CA C 60.323 0.05 . 794 128 128 GLU CB C 29.652 0.03 . 795 128 128 GLU N N 118.299 0.54 . 796 129 129 GLU H H 7.841 0.07 . 797 129 129 GLU CA C 59.084 0.00 . 798 129 129 GLU CB C 31.144 0.04 . 799 129 129 GLU N N 120.344 0.44 . 800 130 130 ALA H H 8.518 0.12 . 801 130 130 ALA HB H 1.693 0.00 . 802 130 130 ALA CA C 54.336 0.00 . 803 130 130 ALA CB C 18.761 0.20 . 804 130 130 ALA N N 120.657 0.83 . 805 131 131 PHE H H 8.086 0.28 . 806 131 131 PHE CA C 61.471 0.00 . 807 131 131 PHE CB C 39.593 0.01 . 808 131 131 PHE N N 116.094 0.43 . 809 132 132 HIS H H 8.017 0.05 . 810 132 132 HIS CA C 58.153 0.00 . 811 132 132 HIS CB C 31.181 0.03 . 812 132 132 HIS N N 113.781 0.33 . 813 133 133 GLY H H 8.203 0.00 . 814 133 133 GLY CA C 44.810 0.00 . 815 133 133 GLY N N 107.710 0.07 . 816 134 134 GLY H H 8.687 0.00 . 817 134 134 GLY CA C 44.786 0.00 . 818 134 134 GLY N N 107.498 0.00 . 819 135 135 GLU H H 8.523 0.00 . 820 135 135 GLU CA C 55.725 0.11 . 821 135 135 GLU CB C 31.747 0.02 . 822 135 135 GLU N N 121.055 0.24 . 823 136 136 ARG H H 8.975 0.03 . 824 136 136 ARG CA C 54.156 0.05 . 825 136 136 ARG CB C 34.559 0.01 . 826 136 136 ARG N N 123.806 0.81 . 827 137 137 VAL H H 8.548 0.07 . 828 137 137 VAL HG2 H 0.907 0.00 . 829 137 137 VAL CA C 62.179 0.01 . 830 137 137 VAL CB C 31.996 0.03 . 831 137 137 VAL CG2 C 21.569 0.02 . 832 137 137 VAL N N 123.587 0.72 . 833 138 138 VAL H H 9.079 0.11 . 834 138 138 VAL HG1 H 0.792 0.00 . 835 138 138 VAL HG2 H 0.818 0.00 . 836 138 138 VAL CA C 58.335 0.02 . 837 138 138 VAL CB C 34.335 0.06 . 838 138 138 VAL CG1 C 20.244 0.00 . 839 138 138 VAL CG2 C 21.218 0.00 . 840 138 138 VAL N N 122.471 2.27 . 841 139 139 GLU H H 8.630 0.00 . 842 139 139 GLU CA C 54.587 0.08 . 843 139 139 GLU CB C 31.943 0.00 . 844 139 139 GLU N N 122.690 0.02 . 845 140 140 VAL H H 8.887 0.03 . 846 140 140 VAL HG1 H 0.759 0.00 . 847 140 140 VAL HG2 H 0.706 0.00 . 848 140 140 VAL CA C 60.390 0.00 . 849 140 140 VAL CB C 33.903 0.03 . 850 140 140 VAL CG1 C 19.348 0.04 . 851 140 140 VAL CG2 C 20.939 0.02 . 852 140 140 VAL N N 124.077 0.14 . 853 141 141 ALA H H 9.446 0.04 . 854 141 141 ALA HB H 1.361 0.00 . 855 141 141 ALA CA C 52.915 0.00 . 856 141 141 ALA CB C 17.551 0.01 . 857 141 141 ALA N N 130.925 0.16 . 858 142 142 GLY H H 8.701 0.03 . 859 142 142 GLY CA C 45.535 0.01 . 860 142 142 GLY N N 103.979 0.13 . 861 143 143 ARG H H 8.072 0.02 . 862 143 143 ARG CA C 54.962 0.08 . 863 143 143 ARG N N 121.212 0.01 . 864 144 144 ARG H H 8.507 0.01 . 865 144 144 ARG CA C 55.780 0.04 . 866 144 144 ARG CB C 31.202 0.00 . 867 144 144 ARG N N 122.905 0.58 . 868 145 145 VAL H H 9.196 0.01 . 869 145 145 VAL HG1 H 0.775 0.00 . 870 145 145 VAL CA C 60.740 0.07 . 871 145 145 VAL CB C 35.300 0.07 . 872 145 145 VAL CG1 C 21.534 0.00 . 873 145 145 VAL N N 124.227 0.67 . 874 146 146 SER H H 8.593 0.02 . 875 146 146 SER CA C 58.276 0.01 . 876 146 146 SER CB C 63.121 0.01 . 877 146 146 SER N N 121.820 0.14 . 878 147 147 VAL H H 9.111 0.06 . 879 147 147 VAL HG2 H 0.693 0.00 . 880 147 147 VAL CA C 60.279 0.03 . 881 147 147 VAL CB C 34.969 0.02 . 882 147 147 VAL CG2 C 21.162 0.00 . 883 147 147 VAL N N 124.710 0.19 . 884 148 148 ARG H H 8.626 0.01 . 885 148 148 ARG CA C 55.093 0.00 . 886 148 148 ARG CB C 30.112 0.01 . 887 148 148 ARG N N 125.585 0.26 . 888 149 149 ILE H H 8.933 0.09 . 889 149 149 ILE HD1 H 0.580 0.00 . 890 149 149 ILE CA C 57.942 0.00 . 891 149 149 ILE CB C 38.740 0.00 . 892 149 149 ILE CD1 C 12.776 0.00 . 893 149 149 ILE N N 128.781 0.11 . 894 151 151 PRO CA C 62.963 0.00 . 895 151 151 PRO CB C 31.585 0.00 . 896 152 152 GLY H H 8.484 0.15 . 897 152 152 GLY CA C 46.355 0.01 . 898 152 152 GLY N N 111.709 0.03 . 899 153 153 VAL H H 7.207 0.00 . 900 153 153 VAL HG1 H 1.007 0.00 . 901 153 153 VAL HG2 H 1.080 0.00 . 902 153 153 VAL CA C 62.198 0.00 . 903 153 153 VAL CB C 32.550 0.00 . 904 153 153 VAL CG1 C 19.823 0.01 . 905 153 153 VAL CG2 C 21.722 0.00 . 906 153 153 VAL N N 115.036 0.57 . 907 154 154 ARG H H 8.058 0.17 . 908 154 154 ARG CA C 53.743 0.00 . 909 154 154 ARG CB C 32.954 0.06 . 910 154 154 ARG N N 117.135 1.50 . 911 155 155 GLU H H 8.294 0.17 . 912 155 155 GLU CA C 58.505 0.02 . 913 155 155 GLU CB C 29.290 0.01 . 914 155 155 GLU N N 120.632 0.44 . 915 156 156 GLY H H 9.316 0.05 . 916 156 156 GLY CA C 45.378 0.01 . 917 156 156 GLY N N 117.059 0.14 . 918 157 157 SER H H 8.280 0.00 . 919 157 157 SER CA C 61.377 0.00 . 920 157 157 SER CB C 63.493 0.00 . 921 157 157 SER N N 118.583 0.03 . 922 158 158 VAL H H 8.432 0.02 . 923 158 158 VAL HG1 H 0.738 0.00 . 924 158 158 VAL HG2 H 0.968 0.00 . 925 158 158 VAL CA C 61.113 0.00 . 926 158 158 VAL CB C 33.806 0.01 . 927 158 158 VAL CG1 C 21.609 0.00 . 928 158 158 VAL CG2 C 21.521 0.00 . 929 158 158 VAL N N 122.029 0.13 . 930 159 159 ILE H H 9.609 0.02 . 931 159 159 ILE HD1 H 0.748 0.00 . 932 159 159 ILE CA C 60.617 0.07 . 933 159 159 ILE CB C 40.316 0.00 . 934 159 159 ILE CD1 C 14.937 0.00 . 935 159 159 ILE N N 130.784 0.09 . 936 160 160 ARG H H 8.811 0.00 . 937 160 160 ARG CA C 55.291 0.00 . 938 160 160 ARG CB C 31.973 0.00 . 939 160 160 ARG N N 128.615 0.06 . 940 161 161 VAL H H 9.834 0.01 . 941 161 161 VAL HG1 H 0.836 0.00 . 942 161 161 VAL HG2 H 0.922 0.00 . 943 161 161 VAL CA C 59.477 0.00 . 944 161 161 VAL CB C 31.909 0.00 . 945 161 161 VAL CG1 C 20.260 0.00 . 946 161 161 VAL CG2 C 22.139 0.00 . 947 161 161 VAL N N 130.365 0.17 . 948 162 162 PRO CA C 63.164 0.00 . 949 162 162 PRO CB C 32.216 0.00 . 950 163 163 GLY H H 9.450 0.02 . 951 163 163 GLY CA C 47.020 0.01 . 952 163 163 GLY N N 110.794 0.10 . 953 164 164 MET H H 6.592 0.00 . 954 164 164 MET HE H 2.094 0.00 . 955 164 164 MET CA C 53.612 0.00 . 956 164 164 MET CB C 31.881 0.00 . 957 164 164 MET CE C 17.927 0.00 . 958 164 164 MET N N 115.504 0.01 . 959 165 165 GLY H H 8.217 0.05 . 960 165 165 GLY CA C 44.074 0.01 . 961 165 165 GLY N N 109.061 0.18 . 962 166 166 GLY H H 8.799 0.00 . 963 166 166 GLY CA C 45.671 0.01 . 964 166 166 GLY N N 111.320 0.00 . 965 167 167 GLN H H 8.498 0.02 . 966 167 167 GLN CA C 56.487 0.01 . 967 167 167 GLN CB C 29.084 0.00 . 968 167 167 GLN N N 120.638 0.14 . 969 168 168 GLY H H 8.007 0.02 . 970 168 168 GLY CA C 44.762 0.00 . 971 168 168 GLY N N 108.568 0.09 . 972 169 169 ASN H H 8.133 0.00 . 973 169 169 ASN CA C 49.614 0.00 . 974 169 169 ASN CB C 39.836 0.00 . 975 169 169 ASN N N 116.860 0.01 . 976 171 171 PRO CA C 62.675 0.00 . 977 171 171 PRO CB C 32.481 0.00 . 978 172 172 GLY H H 8.609 0.00 . 979 172 172 GLY CA C 43.874 0.05 . 980 172 172 GLY N N 106.469 0.05 . 981 173 173 ASP H H 9.155 0.02 . 982 173 173 ASP CA C 53.389 0.07 . 983 173 173 ASP CB C 42.858 0.05 . 984 173 173 ASP N N 118.650 0.03 . 985 174 174 LEU H H 7.853 0.01 . 986 174 174 LEU HD1 H 0.721 0.00 . 987 174 174 LEU HD2 H 0.740 0.00 . 988 174 174 LEU CA C 53.357 0.00 . 989 174 174 LEU CB C 44.763 0.00 . 990 174 174 LEU CD1 C 26.659 0.00 . 991 174 174 LEU CD2 C 22.886 0.00 . 992 174 174 LEU N N 121.089 0.14 . 993 175 175 LEU H H 9.392 0.01 . 994 175 175 LEU HD1 H 0.728 0.00 . 995 175 175 LEU HD2 H 0.790 0.00 . 996 175 175 LEU CA C 53.409 0.00 . 997 175 175 LEU CB C 41.965 0.00 . 998 175 175 LEU CD1 C 23.700 0.00 . 999 175 175 LEU CD2 C 24.816 0.00 . 1000 175 175 LEU N N 129.463 0.04 . 1001 176 176 LEU H H 8.902 0.03 . 1002 176 176 LEU HD1 H 0.762 0.00 . 1003 176 176 LEU HD2 H 0.693 0.00 . 1004 176 176 LEU CA C 52.466 0.00 . 1005 176 176 LEU CB C 42.755 0.11 . 1006 176 176 LEU CD1 C 27.188 0.00 . 1007 176 176 LEU CD2 C 24.578 0.01 . 1008 176 176 LEU N N 123.034 0.06 . 1009 177 177 VAL H H 8.868 0.05 . 1010 177 177 VAL HG1 H 0.845 0.00 . 1011 177 177 VAL CA C 61.034 0.03 . 1012 177 177 VAL CB C 32.950 0.00 . 1013 177 177 VAL CG1 C 20.423 0.01 . 1014 177 177 VAL N N 123.798 0.04 . 1015 178 178 VAL H H 9.060 0.00 . 1016 178 178 VAL HG1 H 0.921 0.00 . 1017 178 178 VAL HG2 H 0.679 0.00 . 1018 178 178 VAL CA C 64.471 0.00 . 1019 178 178 VAL CB C 31.856 0.03 . 1020 178 178 VAL CG1 C 22.092 0.00 . 1021 178 178 VAL CG2 C 21.595 0.01 . 1022 178 178 VAL N N 129.734 0.04 . 1023 179 179 ARG H H 8.244 0.05 . 1024 179 179 ARG CA C 53.290 0.02 . 1025 179 179 ARG CB C 32.246 0.08 . 1026 179 179 ARG N N 130.280 0.62 . 1027 180 180 LEU H H 9.105 0.03 . 1028 180 180 LEU HD1 H 0.850 0.00 . 1029 180 180 LEU HD2 H 0.686 0.00 . 1030 180 180 LEU CA C 53.605 0.00 . 1031 180 180 LEU CB C 41.611 0.00 . 1032 180 180 LEU CD1 C 25.984 0.00 . 1033 180 180 LEU CD2 C 23.514 0.01 . 1034 180 180 LEU N N 124.902 0.45 . 1035 181 181 LEU H H 8.789 0.09 . 1036 181 181 LEU HD1 H 0.953 0.00 . 1037 181 181 LEU HD2 H 0.885 0.00 . 1038 181 181 LEU CA C 52.989 0.00 . 1039 181 181 LEU CB C 41.816 0.00 . 1040 181 181 LEU CD1 C 22.604 0.00 . 1041 181 181 LEU CD2 C 25.435 0.01 . 1042 181 181 LEU N N 127.089 0.39 . 1043 183 183 HIS H H 9.174 0.00 . 1044 183 183 HIS N N 128.754 0.00 . 1045 185 185 VAL H H 10.243 0.00 . 1046 185 185 VAL HG1 H 0.833 0.00 . 1047 185 185 VAL HG2 H 0.114 0.00 . 1048 185 185 VAL CG1 C 21.161 0.00 . 1049 185 185 VAL CG2 C 20.575 0.00 . 1050 185 185 VAL N N 121.653 0.00 . 1051 186 186 PHE H H 8.452 0.00 . 1052 186 186 PHE N N 118.117 0.00 . 1053 187 187 ARG H H 9.049 0.00 . 1054 187 187 ARG N N 120.162 0.00 . 1055 188 188 LEU H H 8.752 0.00 . 1056 188 188 LEU HD1 H 0.171 0.00 . 1057 188 188 LEU HD2 H 0.239 0.00 . 1058 188 188 LEU CD1 C 25.737 0.00 . 1059 188 188 LEU CD2 C 23.220 0.00 . 1060 188 188 LEU N N 126.813 0.00 . 1061 189 189 GLU H H 9.289 0.00 . 1062 189 189 GLU N N 129.321 0.00 . 1063 191 191 GLN H H 8.706 0.00 . 1064 191 191 GLN CA C 56.368 0.00 . 1065 191 191 GLN CB C 29.431 0.00 . 1066 191 191 GLN N N 120.785 0.01 . 1067 192 192 ASP H H 8.519 0.00 . 1068 192 192 ASP N N 122.845 0.00 . 1069 193 193 LEU H H 8.811 0.00 . 1070 193 193 LEU HD1 H 0.614 0.00 . 1071 193 193 LEU HD2 H 0.716 0.00 . 1072 193 193 LEU CD1 C 25.892 0.00 . 1073 193 193 LEU CD2 C 24.684 0.00 . 1074 193 193 LEU N N 119.796 0.00 . 1075 194 194 TYR H H 9.224 0.00 . 1076 194 194 TYR N N 119.327 0.02 . 1077 195 195 ALA H H 8.928 0.01 . 1078 195 195 ALA HB H 1.278 0.00 . 1079 195 195 ALA CA C 51.129 0.00 . 1080 195 195 ALA CB C 23.523 0.54 . 1081 195 195 ALA N N 124.286 0.86 . 1082 196 196 THR H H 8.919 0.00 . 1083 196 196 THR HG2 H 1.195 0.00 . 1084 196 196 THR CA C 62.031 0.00 . 1085 196 196 THR CB C 70.995 0.00 . 1086 196 196 THR CG2 C 22.434 0.00 . 1087 196 196 THR N N 116.757 0.00 . 1088 197 197 LEU H H 8.755 0.06 . 1089 197 197 LEU HD1 H 0.573 0.00 . 1090 197 197 LEU HD2 H 0.938 0.00 . 1091 197 197 LEU CA C 53.084 0.08 . 1092 197 197 LEU CB C 47.282 0.01 . 1093 197 197 LEU CD1 C 26.287 0.00 . 1094 197 197 LEU CD2 C 23.565 0.00 . 1095 197 197 LEU N N 126.971 0.78 . 1096 198 198 ASP H H 8.625 0.01 . 1097 198 198 ASP CA C 54.178 0.03 . 1098 198 198 ASP CB C 40.782 0.00 . 1099 198 198 ASP N N 129.669 0.01 . 1100 199 199 VAL H H 9.249 0.00 . 1101 199 199 VAL HG1 H 0.802 0.00 . 1102 199 199 VAL HG2 H 0.854 0.00 . 1103 199 199 VAL CA C 58.722 0.00 . 1104 199 199 VAL CB C 35.010 0.00 . 1105 199 199 VAL CG1 C 21.793 0.00 . 1106 199 199 VAL CG2 C 22.917 0.00 . 1107 199 199 VAL N N 124.840 0.05 . 1108 200 200 PRO CA C 62.470 0.00 . 1109 200 200 PRO CB C 33.261 0.00 . 1110 201 201 ALA H H 9.022 0.00 . 1111 201 201 ALA HB H 1.455 0.00 . 1112 201 201 ALA CA C 57.166 0.00 . 1113 201 201 ALA CB C 16.102 0.07 . 1114 201 201 ALA N N 127.254 0.13 . 1115 202 202 PRO CA C 66.199 0.00 . 1116 202 202 PRO CB C 31.426 0.00 . 1117 203 203 ILE H H 7.146 0.00 . 1118 203 203 ILE HD1 H 0.790 0.00 . 1119 203 203 ILE CA C 62.680 0.01 . 1120 203 203 ILE CB C 36.685 0.01 . 1121 203 203 ILE CD1 C 11.565 0.00 . 1122 203 203 ILE N N 116.547 0.03 . 1123 204 204 ALA H H 7.557 0.01 . 1124 204 204 ALA HB H 1.378 0.00 . 1125 204 204 ALA CA C 55.002 0.01 . 1126 204 204 ALA CB C 17.365 0.06 . 1127 204 204 ALA N N 121.792 0.09 . 1128 205 205 VAL H H 7.323 0.01 . 1129 205 205 VAL HG1 H 0.954 0.00 . 1130 205 205 VAL HG2 H 1.071 0.00 . 1131 205 205 VAL CA C 67.056 0.00 . 1132 205 205 VAL CB C 32.262 0.09 . 1133 205 205 VAL CG1 C 21.151 0.00 . 1134 205 205 VAL CG2 C 22.270 0.00 . 1135 205 205 VAL N N 111.973 0.03 . 1136 206 206 VAL H H 7.198 0.00 . 1137 206 206 VAL HG1 H 1.158 0.00 . 1138 206 206 VAL HG2 H 1.074 0.00 . 1139 206 206 VAL CA C 63.214 0.00 . 1140 206 206 VAL CB C 33.263 0.04 . 1141 206 206 VAL CG1 C 19.489 0.00 . 1142 206 206 VAL CG2 C 21.840 0.00 . 1143 206 206 VAL N N 113.292 0.09 . 1144 207 207 GLY H H 8.434 0.00 . 1145 207 207 GLY CA C 43.789 0.04 . 1146 207 207 GLY N N 113.713 0.01 . 1147 208 208 GLY H H 8.157 0.01 . 1148 208 208 GLY CA C 45.576 0.00 . 1149 208 208 GLY N N 104.840 0.06 . 1150 209 209 LYS H H 8.435 0.01 . 1151 209 209 LYS CA C 55.210 0.01 . 1152 209 209 LYS CB C 35.003 0.07 . 1153 209 209 LYS N N 120.873 0.01 . 1154 210 210 VAL H H 8.701 0.01 . 1155 210 210 VAL HG1 H 0.796 0.00 . 1156 210 210 VAL HG2 H 1.005 0.00 . 1157 210 210 VAL CA C 59.858 0.00 . 1158 210 210 VAL CB C 35.671 0.06 . 1159 210 210 VAL CG1 C 20.499 0.00 . 1160 210 210 VAL CG2 C 22.074 0.00 . 1161 210 210 VAL N N 117.504 0.37 . 1162 211 211 ARG H H 8.519 0.01 . 1163 211 211 ARG CA C 55.972 0.05 . 1164 211 211 ARG CB C 31.508 0.01 . 1165 211 211 ARG N N 123.421 0.19 . 1166 212 212 ALA H H 9.053 0.03 . 1167 212 212 ALA HB H 1.189 0.00 . 1168 212 212 ALA CA C 50.325 0.05 . 1169 212 212 ALA CB C 22.578 0.24 . 1170 212 212 ALA N N 127.346 0.02 . 1171 213 213 MET H H 8.514 0.03 . 1172 213 213 MET HE H 2.123 0.00 . 1173 213 213 MET CE C 16.379 0.00 . 1174 213 213 MET N N 120.129 0.35 . 1175 214 214 THR H H 7.356 0.00 . 1176 214 214 THR HG2 H 1.041 0.00 . 1177 214 214 THR CA C 59.866 0.00 . 1178 214 214 THR CB C 72.145 0.00 . 1179 214 214 THR CG2 C 21.490 0.00 . 1180 214 214 THR N N 111.831 0.00 . 1181 215 215 LEU H H 8.943 0.22 . 1182 215 215 LEU HD1 H 0.220 0.00 . 1183 215 215 LEU HD2 H 0.328 0.00 . 1184 215 215 LEU CA C 57.928 0.03 . 1185 215 215 LEU CB C 41.577 0.03 . 1186 215 215 LEU CD1 C 26.061 0.00 . 1187 215 215 LEU CD2 C 23.584 0.00 . 1188 215 215 LEU N N 120.911 0.26 . 1189 216 216 GLU H H 7.831 0.04 . 1190 216 216 GLU CA C 56.293 0.00 . 1191 216 216 GLU CB C 30.029 0.00 . 1192 216 216 GLU N N 115.187 0.11 . 1193 217 217 GLY H H 7.223 0.00 . 1194 217 217 GLY N N 108.030 0.00 . 1195 218 218 PRO CA C 62.922 0.00 . 1196 218 218 PRO CB C 32.310 0.00 . 1197 219 219 VAL H H 9.003 0.01 . 1198 219 219 VAL HG1 H 0.714 0.00 . 1199 219 219 VAL HG2 H 0.773 0.00 . 1200 219 219 VAL CA C 60.028 0.01 . 1201 219 219 VAL CB C 35.971 0.01 . 1202 219 219 VAL CG1 C 20.045 0.00 . 1203 219 219 VAL CG2 C 21.351 0.00 . 1204 219 219 VAL N N 119.237 0.47 . 1205 220 220 GLU H H 8.473 0.01 . 1206 220 220 GLU CA C 56.050 0.01 . 1207 220 220 GLU CB C 31.091 0.02 . 1208 220 220 GLU N N 123.004 0.23 . 1209 221 221 VAL H H 9.157 0.02 . 1210 221 221 VAL HG1 H 0.695 0.00 . 1211 221 221 VAL HG2 H 0.737 0.00 . 1212 221 221 VAL CA C 60.913 0.00 . 1213 221 221 VAL CB C 34.294 0.02 . 1214 221 221 VAL CG1 C 21.185 0.00 . 1215 221 221 VAL CG2 C 21.834 0.00 . 1216 221 221 VAL N N 125.356 0.29 . 1217 222 222 ALA H H 8.435 0.00 . 1218 222 222 ALA HB H 1.256 0.00 . 1219 222 222 ALA CA C 51.449 0.00 . 1220 222 222 ALA CB C 18.485 0.02 . 1221 222 222 ALA N N 128.245 0.26 . 1222 223 223 VAL H H 8.956 0.01 . 1223 223 223 VAL HG1 H 0.913 0.00 . 1224 223 223 VAL HG2 H 0.790 0.00 . 1225 223 223 VAL CA C 59.449 0.00 . 1226 223 223 VAL CB C 32.763 0.00 . 1227 223 223 VAL CG1 C 20.937 0.00 . 1228 223 223 VAL CG2 C 21.697 0.00 . 1229 223 223 VAL N N 125.897 0.02 . 1230 225 225 PRO CA C 63.113 0.00 . 1231 225 225 PRO CB C 32.180 0.00 . 1232 226 226 ARG H H 8.359 0.00 . 1233 226 226 ARG CA C 56.814 0.00 . 1234 226 226 ARG CB C 26.461 0.01 . 1235 226 226 ARG N N 117.280 0.02 . 1236 227 227 THR H H 8.540 0.01 . 1237 227 227 THR HG2 H 1.109 0.00 . 1238 227 227 THR CA C 66.050 0.02 . 1239 227 227 THR CB C 69.282 0.00 . 1240 227 227 THR CG2 C 23.221 0.00 . 1241 227 227 THR N N 120.079 0.02 . 1242 228 228 GLN H H 8.189 0.00 . 1243 228 228 GLN CA C 53.511 0.00 . 1244 228 228 GLN CB C 31.505 0.01 . 1245 228 228 GLN N N 125.362 0.08 . 1246 229 229 ALA H H 8.543 0.00 . 1247 229 229 ALA HB H 1.467 0.00 . 1248 229 229 ALA CA C 53.656 0.03 . 1249 229 229 ALA CB C 18.551 0.05 . 1250 229 229 ALA N N 121.867 0.12 . 1251 230 230 GLY H H 9.135 0.01 . 1252 230 230 GLY CA C 45.016 0.00 . 1253 230 230 GLY N N 111.186 0.03 . 1254 231 231 ARG H H 7.623 0.01 . 1255 231 231 ARG CA C 56.832 0.02 . 1256 231 231 ARG CB C 30.753 0.02 . 1257 231 231 ARG N N 121.867 0.01 . 1258 232 232 LYS H H 8.732 0.01 . 1259 232 232 LYS CA C 54.897 0.04 . 1260 232 232 LYS CB C 33.861 0.00 . 1261 232 232 LYS N N 124.074 0.07 . 1262 233 233 LEU H H 9.373 0.04 . 1263 233 233 LEU HD1 H 0.749 0.00 . 1264 233 233 LEU HD2 H 0.830 0.00 . 1265 233 233 LEU CA C 53.656 0.00 . 1266 233 233 LEU CB C 42.475 0.10 . 1267 233 233 LEU CD1 C 25.825 0.00 . 1268 233 233 LEU CD2 C 22.627 0.00 . 1269 233 233 LEU N N 126.843 0.11 . 1270 234 234 ARG H H 8.590 0.01 . 1271 234 234 ARG CA C 55.169 0.00 . 1272 234 234 ARG CB C 32.772 0.01 . 1273 234 234 ARG N N 123.476 0.07 . 1274 235 235 LEU H H 9.485 0.03 . 1275 235 235 LEU HD1 H 0.776 0.00 . 1276 235 235 LEU HD2 H 0.713 0.00 . 1277 235 235 LEU CA C 53.820 0.01 . 1278 235 235 LEU CB C 41.306 0.03 . 1279 235 235 LEU CD1 C 24.306 0.00 . 1280 235 235 LEU CD2 C 24.914 0.00 . 1281 235 235 LEU N N 130.715 0.04 . 1282 236 236 LYS H H 8.589 0.00 . 1283 236 236 LYS CA C 56.768 0.00 . 1284 236 236 LYS CB C 32.226 0.02 . 1285 236 236 LYS N N 126.807 0.04 . 1286 237 237 GLY H H 9.355 0.04 . 1287 237 237 GLY CA C 47.050 0.02 . 1288 237 237 GLY N N 113.082 0.12 . 1289 238 238 LYS H H 6.549 0.03 . 1290 238 238 LYS CA C 54.015 0.03 . 1291 238 238 LYS CB C 32.068 0.01 . 1292 238 238 LYS N N 114.309 0.07 . 1293 239 239 GLY H H 8.197 0.01 . 1294 239 239 GLY CA C 43.462 0.00 . 1295 239 239 GLY N N 107.864 0.20 . 1296 240 240 PHE H H 9.088 0.00 . 1297 240 240 PHE N N 125.499 0.00 . 1298 241 241 PRO CA C 63.357 0.00 . 1299 241 241 PRO CB C 32.373 0.00 . 1300 242 242 GLY H H 7.820 0.04 . 1301 242 242 GLY CA C 45.032 0.00 . 1302 242 242 GLY N N 109.540 0.37 . 1303 243 243 PRO CA C 64.945 0.00 . 1304 243 243 PRO CB C 31.999 0.00 . 1305 244 244 ALA H H 8.608 0.02 . 1306 244 244 ALA HB H 1.332 0.00 . 1307 244 244 ALA CA C 51.284 0.02 . 1308 244 244 ALA CB C 18.950 0.06 . 1309 244 244 ALA N N 119.997 0.04 . 1310 245 245 GLY H H 7.522 0.01 . 1311 245 245 GLY CA C 44.189 0.02 . 1312 245 245 GLY N N 108.044 0.03 . 1313 246 246 ARG H H 8.500 0.02 . 1314 246 246 ARG CA C 56.054 0.00 . 1315 246 246 ARG N N 119.899 0.39 . 1316 247 247 GLY H H 8.105 0.00 . 1317 247 247 GLY N N 107.086 0.00 . 1318 248 248 ASP H H 9.283 0.10 . 1319 248 248 ASP CA C 53.749 0.05 . 1320 248 248 ASP CB C 43.984 0.11 . 1321 248 248 ASP N N 119.505 0.21 . 1322 249 249 LEU H H 7.645 0.03 . 1323 249 249 LEU HD1 H 0.856 0.00 . 1324 249 249 LEU HD2 H 0.825 0.00 . 1325 249 249 LEU CA C 52.845 0.00 . 1326 249 249 LEU CB C 45.796 0.02 . 1327 249 249 LEU CD1 C 26.688 0.00 . 1328 249 249 LEU CD2 C 24.082 0.00 . 1329 249 249 LEU N N 121.069 0.38 . 1330 250 250 TYR H H 9.257 0.08 . 1331 250 250 TYR CA C 57.106 0.01 . 1332 250 250 TYR CB C 41.017 0.03 . 1333 250 250 TYR N N 125.727 0.08 . 1334 251 251 LEU H H 9.032 0.01 . 1335 251 251 LEU HD1 H 0.813 0.00 . 1336 251 251 LEU HD2 H 0.763 0.00 . 1337 251 251 LEU CA C 51.974 0.00 . 1338 251 251 LEU CB C 43.958 0.00 . 1339 251 251 LEU CD1 C 24.020 0.00 . 1340 251 251 LEU CD2 C 27.237 0.00 . 1341 251 251 LEU N N 122.526 0.05 . 1342 252 252 GLU H H 9.036 0.03 . 1343 252 252 GLU CA C 55.128 0.06 . 1344 252 252 GLU CB C 31.265 0.03 . 1345 252 252 GLU N N 124.517 0.11 . 1346 253 253 VAL H H 8.988 0.01 . 1347 253 253 VAL HG1 H 0.685 0.00 . 1348 253 253 VAL HG2 H 0.981 0.00 . 1349 253 253 VAL CA C 64.796 0.01 . 1350 253 253 VAL CB C 32.320 0.00 . 1351 253 253 VAL CG1 C 21.166 0.00 . 1352 253 253 VAL CG2 C 22.226 0.00 . 1353 253 253 VAL N N 128.139 0.21 . 1354 254 254 ARG H H 9.375 0.01 . 1355 254 254 ARG CA C 55.166 0.01 . 1356 254 254 ARG CB C 32.474 0.02 . 1357 254 254 ARG N N 133.724 0.16 . 1358 255 255 ILE H H 8.382 0.00 . 1359 255 255 ILE HD1 H 0.610 0.00 . 1360 255 255 ILE CA C 59.250 0.01 . 1361 255 255 ILE CB C 36.797 0.02 . 1362 255 255 ILE CD1 C 10.924 0.00 . 1363 255 255 ILE N N 126.118 0.14 . 1364 256 256 THR H H 8.419 0.00 . 1365 256 256 THR HG2 H 0.941 0.00 . 1366 256 256 THR CA C 62.254 0.00 . 1367 256 256 THR CB C 70.330 0.00 . 1368 256 256 THR CG2 C 22.132 0.00 . 1369 256 256 THR N N 126.970 0.06 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-15N HSQC' '2D 1H-13C HMQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CNH-sofast hmqc-NOESY-hmqc' '3D HNH-sofastNOESY-hmqc' '3D HCH-sofastNOESY-hmqc' '3D NCH-sofast hmqc-NOESY-hmqc' '3D CCH-sofast hmqc-NOESY-hmqc' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LYS H H 8.581 0.00 . 2 2 2 LYS N N 124.005 0.00 . 3 3 3 GLN H H 8.591 0.00 . 4 3 3 GLN N N 122.619 0.00 . 5 4 4 SER H H 8.515 0.00 . 6 4 4 SER HA H 4.463 0.01 . 7 4 4 SER HB2 H 3.880 0.00 . 8 4 4 SER HB3 H 3.889 0.01 . 9 4 4 SER C C 174.588 0.00 . 10 4 4 SER CA C 58.586 0.02 . 11 4 4 SER CB C 63.949 0.06 . 12 4 4 SER N N 117.795 0.02 . 13 5 5 THR H H 8.459 0.00 . 14 5 5 THR HA H 4.595 0.01 . 15 5 5 THR HB H 4.077 0.01 . 16 5 5 THR HG2 H 1.097 0.00 . 17 5 5 THR C C 174.306 0.00 . 18 5 5 THR CA C 62.405 0.01 . 19 5 5 THR CB C 69.682 0.08 . 20 5 5 THR CG2 C 21.801 0.05 . 21 5 5 THR N N 118.718 0.05 . 22 6 6 ILE H H 8.120 0.00 . 23 6 6 ILE HA H 4.399 0.01 . 24 6 6 ILE HB H 1.825 0.01 . 25 6 6 ILE HG12 H 1.526 0.00 . 26 6 6 ILE HG13 H 1.105 0.00 . 27 6 6 ILE HG2 H 0.903 0.00 . 28 6 6 ILE HD1 H 0.838 0.00 . 29 6 6 ILE C C 174.159 0.00 . 30 6 6 ILE CA C 60.564 0.07 . 31 6 6 ILE CB C 40.240 0.05 . 32 6 6 ILE CG1 C 27.158 0.06 . 33 6 6 ILE CG2 C 17.399 0.04 . 34 6 6 ILE CD1 C 13.506 0.04 . 35 6 6 ILE N N 123.514 0.03 . 36 7 7 ALA H H 8.408 0.00 . 37 7 7 ALA HA H 4.820 0.01 . 38 7 7 ALA HB H 1.347 0.01 . 39 7 7 ALA C C 177.291 0.00 . 40 7 7 ALA CA C 51.511 0.04 . 41 7 7 ALA CB C 19.301 0.07 . 42 7 7 ALA N N 128.457 0.06 . 43 8 8 LEU H H 8.456 0.01 . 44 8 8 LEU HA H 4.597 0.01 . 45 8 8 LEU HB2 H 1.589 0.01 . 46 8 8 LEU HB3 H 1.650 0.01 . 47 8 8 LEU HD1 H 0.776 0.00 . 48 8 8 LEU HD2 H 0.969 0.00 . 49 8 8 LEU C C 176.111 0.00 . 50 8 8 LEU CA C 53.893 0.08 . 51 8 8 LEU CB C 43.010 0.07 . 52 8 8 LEU CD1 C 26.444 0.13 . 53 8 8 LEU CD2 C 22.643 0.04 . 54 8 8 LEU N N 121.823 0.03 . 55 9 9 ALA H H 8.663 0.00 . 56 9 9 ALA HA H 4.557 0.01 . 57 9 9 ALA HB H 1.389 0.01 . 58 9 9 ALA C C 177.008 0.00 . 59 9 9 ALA CA C 51.356 0.04 . 60 9 9 ALA CB C 19.654 0.07 . 61 9 9 ALA N N 125.288 0.03 . 62 10 10 LEU H H 8.388 0.00 . 63 10 10 LEU HA H 4.572 0.01 . 64 10 10 LEU HB2 H 1.671 0.05 . 65 10 10 LEU HB3 H 1.553 0.00 . 66 10 10 LEU HG H 1.779 0.01 . 67 10 10 LEU HD1 H 0.957 0.01 . 68 10 10 LEU HD2 H 0.868 0.00 . 69 10 10 LEU C C 177.680 0.00 . 70 10 10 LEU CA C 54.671 0.06 . 71 10 10 LEU CB C 42.571 0.11 . 72 10 10 LEU CG C 27.226 0.04 . 73 10 10 LEU CD1 C 25.862 0.05 . 74 10 10 LEU CD2 C 23.723 0.07 . 75 10 10 LEU N N 121.501 0.03 . 76 11 11 LEU H H 8.546 0.00 . 77 11 11 LEU HA H 4.707 0.01 . 78 11 11 LEU HB2 H 1.452 0.01 . 79 11 11 LEU HB3 H 1.539 0.00 . 80 11 11 LEU HG H 1.639 0.00 . 81 11 11 LEU HD1 H 0.921 0.00 . 82 11 11 LEU HD2 H 0.843 0.01 . 83 11 11 LEU CA C 52.587 0.07 . 84 11 11 LEU CB C 42.257 0.05 . 85 11 11 LEU CG C 27.293 0.03 . 86 11 11 LEU CD1 C 23.199 0.11 . 87 11 11 LEU CD2 C 25.371 0.10 . 88 11 11 LEU N N 124.257 0.07 . 89 12 12 PRO HA H 4.468 0.01 . 90 12 12 PRO HB2 H 1.889 0.01 . 91 12 12 PRO HB3 H 2.291 0.01 . 92 12 12 PRO HG2 H 1.973 0.01 . 93 12 12 PRO HG3 H 2.049 0.01 . 94 12 12 PRO HD2 H 3.833 0.00 . 95 12 12 PRO HD3 H 3.624 0.00 . 96 12 12 PRO C C 177.043 0.00 . 97 12 12 PRO CA C 62.964 0.06 . 98 12 12 PRO CB C 32.131 0.05 . 99 12 12 PRO CG C 27.452 0.14 . 100 12 12 PRO CD C 50.561 0.06 . 101 13 13 LEU H H 8.508 0.00 . 102 13 13 LEU HA H 4.295 0.01 . 103 13 13 LEU HB2 H 1.645 0.01 . 104 13 13 LEU HB3 H 1.606 0.00 . 105 13 13 LEU HG H 1.705 0.00 . 106 13 13 LEU HD1 H 0.902 0.00 . 107 13 13 LEU HD2 H 0.927 0.00 . 108 13 13 LEU C C 178.185 0.00 . 109 13 13 LEU CA C 55.704 0.03 . 110 13 13 LEU CB C 42.766 0.05 . 111 13 13 LEU CG C 27.132 0.03 . 112 13 13 LEU CD1 C 24.058 0.21 . 113 13 13 LEU CD2 C 24.969 0.02 . 114 13 13 LEU N N 123.158 0.04 . 115 14 14 LEU H H 8.192 0.00 . 116 14 14 LEU N N 123.035 0.00 . 117 15 15 PHE H H 8.226 0.00 . 118 15 15 PHE N N 121.531 0.00 . 119 16 16 THR H H 8.134 0.00 . 120 16 16 THR N N 120.561 0.00 . 121 19 19 THR H H 8.320 0.00 . 122 19 19 THR N N 119.489 0.00 . 123 20 20 LYS H H 8.422 0.00 . 124 20 20 LYS N N 124.995 0.00 . 125 21 21 ALA H H 8.433 0.00 . 126 21 21 ALA N N 126.439 0.00 . 127 22 22 ARG H H 8.490 0.00 . 128 22 22 ARG N N 121.419 0.00 . 129 23 23 THR H H 8.315 0.00 . 130 23 23 THR N N 118.773 0.00 . 131 25 25 GLU H H 8.565 0.00 . 132 25 25 GLU N N 121.126 0.00 . 133 26 26 MET H H 8.392 0.00 . 134 26 26 MET N N 123.087 0.00 . 135 28 28 VAL H H 8.385 0.00 . 136 28 28 VAL N N 121.575 0.00 . 137 29 29 LEU H H 8.447 0.00 . 138 29 29 LEU N N 127.079 0.00 . 139 30 30 GLU H H 8.479 0.00 . 140 30 30 GLU N N 122.391 0.00 . 141 31 31 ASN H H 8.579 0.00 . 142 31 31 ASN N N 120.536 0.00 . 143 32 32 ARG H H 8.439 0.00 . 144 32 32 ARG N N 122.434 0.00 . 145 33 33 ALA H H 8.361 0.00 . 146 33 33 ALA N N 125.048 0.00 . 147 34 34 ALA H H 8.285 0.00 . 148 34 34 ALA N N 123.423 0.00 . 149 35 35 GLN H H 8.367 0.00 . 150 35 35 GLN N N 119.571 0.00 . 151 36 36 GLY H H 8.404 0.00 . 152 36 36 GLY N N 109.906 0.00 . 153 37 37 ASP H H 8.276 0.00 . 154 37 37 ASP N N 120.630 0.00 . 155 38 38 ILE H H 8.256 0.00 . 156 38 38 ILE N N 121.327 0.00 . 157 39 39 THR H H 8.334 0.00 . 158 39 39 THR N N 118.046 0.00 . 159 40 40 ALA H H 8.263 0.00 . 160 40 40 ALA N N 128.228 0.00 . 161 42 42 GLY H H 8.656 0.00 . 162 42 42 GLY N N 110.113 0.00 . 163 43 43 GLY H H 8.314 0.00 . 164 43 43 GLY N N 108.884 0.00 . 165 44 44 ALA H H 8.267 0.00 . 166 44 44 ALA N N 123.772 0.00 . 167 45 45 ARG H H 8.351 0.00 . 168 45 45 ARG N N 120.743 0.00 . 169 46 46 ARG H H 8.451 0.00 . 170 46 46 ARG N N 123.155 0.00 . 171 47 47 LEU H H 8.535 0.00 . 172 47 47 LEU N N 124.345 0.00 . 173 48 48 THR H H 8.215 0.00 . 174 48 48 THR N N 114.081 0.00 . 175 49 49 GLY H H 8.555 0.00 . 176 49 49 GLY N N 110.823 0.00 . 177 50 50 ASP H H 8.368 0.00 . 178 50 50 ASP N N 120.687 0.00 . 179 51 51 GLN H H 8.519 0.00 . 180 51 51 GLN N N 121.549 0.00 . 181 52 52 THR H H 8.284 0.00 . 182 52 52 THR N N 115.319 0.00 . 183 53 53 ALA H H 8.260 0.00 . 184 53 53 ALA N N 126.146 0.00 . 185 54 54 ALA H H 8.139 0.00 . 186 54 54 ALA N N 122.312 0.00 . 187 57 57 ASP H H 8.395 0.00 . 188 57 57 ASP N N 121.211 0.00 . 189 58 58 SER H H 8.265 0.00 . 190 58 58 SER N N 116.327 0.00 . 191 60 60 SER H H 8.119 0.00 . 192 60 60 SER N N 115.464 0.00 . 193 61 61 ASP H H 8.272 0.00 . 194 61 61 ASP N N 122.315 0.00 . 195 62 62 LYS H H 8.052 0.00 . 196 62 62 LYS N N 120.840 0.00 . 197 64 64 ALA H H 8.512 0.00 . 198 64 64 ALA N N 124.955 0.00 . 199 65 65 LYS H H 8.374 0.00 . 200 65 65 LYS N N 120.612 0.00 . 201 66 66 ASN H H 8.512 0.00 . 202 66 66 ASN N N 120.059 0.00 . 203 67 67 ILE H H 8.186 0.00 . 204 67 67 ILE N N 121.844 0.00 . 205 68 68 ILE H H 8.305 0.00 . 206 68 68 ILE N N 126.027 0.00 . 207 69 69 LEU H H 8.368 0.00 . 208 69 69 LEU N N 127.321 0.00 . 209 70 70 LEU H H 8.349 0.00 . 210 70 70 LEU N N 124.331 0.00 . 211 71 71 ILE H H 8.217 0.00 . 212 71 71 ILE N N 122.245 0.00 . 213 72 72 GLY H H 8.516 0.00 . 214 72 72 GLY N N 113.380 0.00 . 215 73 73 ASP H H 8.378 0.00 . 216 73 73 ASP N N 120.687 0.00 . 217 74 74 GLY H H 8.582 0.00 . 218 74 74 GLY N N 109.526 0.00 . 219 76 76 GLY H H 8.587 0.00 . 220 76 76 GLY N N 110.161 0.00 . 221 77 77 ASP H H 8.395 0.00 . 222 77 77 ASP N N 120.896 0.00 . 223 78 78 SER H H 8.448 0.00 . 224 78 78 SER N N 116.382 0.00 . 225 79 79 GLU H H 8.513 0.00 . 226 79 79 GLU N N 122.780 0.00 . 227 80 80 ILE H H 8.235 0.00 . 228 80 80 ILE N N 122.326 0.00 . 229 81 81 THR H H 8.150 0.00 . 230 81 81 THR N N 117.798 0.00 . 231 82 82 ALA H H 8.215 0.00 . 232 82 82 ALA N N 125.883 0.00 . 233 83 83 ALA H H 8.176 0.00 . 234 83 83 ALA N N 122.619 0.00 . 235 84 84 ARG H H 8.221 0.00 . 236 84 84 ARG N N 120.034 0.00 . 237 85 85 ASN H H 8.355 0.00 . 238 85 85 ASN N N 119.274 0.00 . 239 86 86 TYR H H 8.186 0.00 . 240 86 86 TYR N N 120.955 0.00 . 241 87 87 ALA H H 8.204 0.00 . 242 87 87 ALA N N 124.732 0.00 . 243 88 88 GLU H H 8.305 0.00 . 244 88 88 GLU N N 119.528 0.00 . 245 89 89 GLY H H 8.336 0.00 . 246 89 89 GLY N N 109.994 0.00 . 247 90 90 ALA H H 8.215 0.00 . 248 90 90 ALA N N 123.879 0.00 . 249 91 91 GLY H H 8.477 0.00 . 250 91 91 GLY N N 108.059 0.00 . 251 92 92 GLY H H 8.166 0.00 . 252 92 92 GLY N N 108.340 0.00 . 253 93 93 PHE H H 8.047 0.00 . 254 93 93 PHE N N 119.904 0.00 . 255 94 94 PHE H H 8.296 0.00 . 256 94 94 PHE N N 121.948 0.00 . 257 95 95 LYS H H 8.283 0.00 . 258 95 95 LYS N N 123.949 0.00 . 259 96 96 GLY H H 7.930 0.00 . 260 96 96 GLY N N 109.864 0.00 . 261 97 97 ILE H H 8.101 0.00 . 262 97 97 ILE N N 119.787 0.00 . 263 98 98 ASP H H 8.427 0.00 . 264 98 98 ASP N N 123.222 0.00 . 265 99 99 ALA H H 8.090 0.00 . 266 99 99 ALA N N 123.678 0.00 . 267 102 102 LEU H H 8.476 0.00 . 268 102 102 LEU N N 122.397 0.00 . 269 103 103 THR H H 8.076 0.00 . 270 103 103 THR N N 113.346 0.00 . 271 104 104 GLY H H 8.466 0.00 . 272 104 104 GLY N N 110.786 0.00 . 273 105 105 GLN H H 8.299 0.00 . 274 105 105 GLN N N 119.598 0.00 . 275 106 106 TYR H H 8.308 0.00 . 276 106 106 TYR N N 120.728 0.00 . 277 107 107 THR H H 8.039 0.00 . 278 107 107 THR N N 115.873 0.00 . 279 109 109 TYR H H 8.051 0.00 . 280 109 109 TYR N N 121.465 0.00 . 281 110 110 ALA H H 8.311 0.00 . 282 110 110 ALA N N 125.050 0.00 . 283 111 111 LEU H H 8.191 0.00 . 284 111 111 LEU N N 121.122 0.00 . 285 113 113 LYS H H 8.481 0.00 . 286 113 113 LYS N N 123.336 0.00 . 287 114 114 LYS H H 8.441 0.00 . 288 114 114 LYS N N 121.234 0.00 . 289 115 115 THR H H 8.091 0.00 . 290 115 115 THR N N 112.611 0.00 . 291 116 116 GLY H H 8.468 0.00 . 292 116 116 GLY N N 111.119 0.00 . 293 117 117 LYS H H 8.117 0.00 . 294 117 117 LYS N N 121.308 0.00 . 295 119 119 ASP H H 8.461 0.05 . 296 119 119 ASP N N 121.519 0.17 . 297 120 120 TYR H H 8.079 0.00 . 298 120 120 TYR N N 120.121 0.00 . 299 121 121 VAL H H 8.103 0.00 . 300 121 121 VAL N N 122.728 0.00 . 301 122 122 THR H H 8.247 0.00 . 302 122 122 THR N N 118.198 0.00 . 303 123 123 ASP H H 8.403 0.00 . 304 123 123 ASP N N 123.065 0.00 . 305 124 124 SER H H 8.390 0.00 . 306 124 124 SER N N 117.240 0.00 . 307 128 128 ALA H H 8.364 0.00 . 308 128 128 ALA N N 125.739 0.00 . 309 129 129 THR H H 8.071 0.00 . 310 129 129 THR N N 112.515 0.00 . 311 130 130 ALA H H 8.171 0.00 . 312 130 130 ALA N N 125.989 0.00 . 313 131 131 TRP H H 8.073 0.00 . 314 131 131 TRP N N 119.652 0.00 . 315 132 132 SER H H 7.998 0.00 . 316 132 132 SER N N 117.042 0.00 . 317 133 133 THR H H 8.104 0.00 . 318 133 133 THR N N 114.795 0.00 . 319 134 134 GLY H H 8.310 0.00 . 320 134 134 GLY N N 110.941 0.00 . 321 135 135 VAL H H 7.980 0.00 . 322 135 135 VAL N N 119.850 0.00 . 323 136 136 LYS H H 8.451 0.00 . 324 136 136 LYS N N 126.108 0.00 . 325 137 137 THR H H 8.069 0.00 . 326 137 137 THR N N 115.402 0.00 . 327 138 138 TYR H H 8.326 0.00 . 328 138 138 TYR N N 121.474 0.00 . 329 140 140 GLY H H 7.813 0.00 . 330 140 140 GLY N N 109.145 0.00 . 331 141 141 ALA H H 8.140 0.00 . 332 141 141 ALA N N 123.353 0.00 . 333 142 142 LEU H H 8.255 0.00 . 334 142 142 LEU N N 120.862 0.00 . 335 143 143 GLY H H 8.385 0.00 . 336 143 143 GLY N N 109.707 0.00 . 337 144 144 VAL H H 7.905 0.00 . 338 144 144 VAL N N 118.496 0.00 . 339 145 145 ASP H H 8.510 0.00 . 340 145 145 ASP N N 123.959 0.00 . 341 146 146 ILE H H 8.068 0.00 . 342 146 146 ILE N N 120.872 0.00 . 343 147 147 HIS H H 8.397 0.00 . 344 147 147 HIS N N 123.228 0.00 . 345 148 148 GLU H H 8.296 0.00 . 346 148 148 GLU N N 122.478 0.00 . 347 149 149 LYS H H 8.458 0.00 . 348 149 149 LYS N N 121.497 0.00 . 349 150 150 ASP H H 8.298 0.00 . 350 150 150 ASP N N 120.093 0.00 . 351 151 151 HIS H H 8.165 0.00 . 352 151 151 HIS N N 120.958 0.00 . 353 153 153 THR H H 8.625 0.00 . 354 153 153 THR N N 115.027 0.00 . 355 154 154 ILE H H 8.245 0.00 . 356 154 154 ILE N N 123.382 0.00 . 357 155 155 LEU H H 8.204 0.00 . 358 155 155 LEU N N 124.277 0.00 . 359 156 156 GLU H H 8.201 0.00 . 360 156 156 GLU N N 121.199 0.00 . 361 158 158 ALA H H 8.222 0.00 . 362 158 158 ALA N N 124.200 0.00 . 363 159 159 LYS H H 8.152 0.00 . 364 159 159 LYS N N 120.170 0.00 . 365 160 160 ALA H H 8.147 0.00 . 366 160 160 ALA N N 123.959 0.00 . 367 161 161 ALA H H 8.144 0.00 . 368 161 161 ALA N N 122.430 0.00 . 369 162 162 GLY H H 8.193 0.00 . 370 162 162 GLY N N 107.240 0.00 . 371 163 163 LEU H H 8.001 0.00 . 372 163 163 LEU N N 121.305 0.00 . 373 164 164 ALA H H 8.324 0.00 . 374 164 164 ALA N N 124.623 0.00 . 375 165 165 THR H H 8.095 0.00 . 376 165 165 THR N N 112.449 0.00 . 377 166 166 GLY H H 8.360 0.00 . 378 166 166 GLY N N 110.629 0.00 . 379 168 168 VAL H H 8.218 0.00 . 380 168 168 VAL N N 120.516 0.00 . 381 169 169 SER H H 8.563 0.00 . 382 169 169 SER N N 120.016 0.00 . 383 170 170 THR H H 8.317 0.00 . 384 170 170 THR N N 116.414 0.00 . 385 171 171 ALA H H 8.293 0.00 . 386 171 171 ALA N N 125.989 0.00 . 387 172 172 GLU H H 8.366 0.00 . 388 172 172 GLU N N 119.817 0.00 . 389 173 173 LEU H H 8.255 0.00 . 390 173 173 LEU N N 123.036 0.00 . 391 174 174 GLN H H 8.399 0.00 . 392 174 174 GLN N N 121.160 0.00 . 393 175 175 ASP H H 8.390 0.00 . 394 175 175 ASP N N 121.545 0.00 . 395 176 176 ALA H H 8.278 0.00 . 396 176 176 ALA N N 124.614 0.00 . 397 177 177 THR H H 8.255 0.00 . 398 177 177 THR N N 116.778 0.00 . 399 179 179 ALA H H 8.471 0.00 . 400 179 179 ALA HB H 1.388 0.00 . 401 179 179 ALA CB C 19.346 0.00 . 402 179 179 ALA N N 125.679 0.00 . 403 180 180 ALA H H 8.438 0.00 . 404 180 180 ALA HB H 1.252 0.00 . 405 180 180 ALA CB C 19.071 0.00 . 406 180 180 ALA N N 123.903 0.00 . 407 181 181 LEU H H 8.746 0.00 . 408 181 181 LEU HD1 H 0.737 0.00 . 409 181 181 LEU HD2 H 0.945 0.00 . 410 181 181 LEU CD1 C 25.768 0.00 . 411 181 181 LEU CD2 C 23.465 0.00 . 412 181 181 LEU N N 122.975 0.00 . 413 182 182 VAL H H 8.173 0.00 . 414 182 182 VAL HG1 H 0.913 0.00 . 415 182 182 VAL CG1 C 20.913 0.00 . 416 182 182 VAL N N 121.546 0.00 . 417 183 183 ALA H H 8.308 0.00 . 418 183 183 ALA HB H 1.074 0.00 . 419 183 183 ALA CB C 21.856 0.00 . 420 183 183 ALA N N 127.288 0.00 . 421 184 184 HIS H H 8.678 0.00 . 422 184 184 HIS N N 118.819 0.00 . 423 185 185 VAL HG1 H 1.021 0.00 . 424 185 185 VAL HG2 H 1.006 0.00 . 425 185 185 VAL CG1 C 21.432 0.00 . 426 185 185 VAL CG2 C 21.982 0.00 . 427 186 186 THR H H 8.839 0.00 . 428 186 186 THR HG2 H 1.204 0.00 . 429 186 186 THR CG2 C 21.526 0.00 . 430 186 186 THR N N 119.803 0.00 . 431 190 190 CYS H H 8.390 0.00 . 432 190 190 CYS N N 124.866 0.00 . 433 191 191 TYR H H 7.886 0.00 . 434 191 191 TYR N N 128.929 0.00 . 435 195 195 ALA H H 8.285 0.00 . 436 195 195 ALA N N 125.848 0.00 . 437 196 196 THR H H 8.154 0.00 . 438 196 196 THR N N 114.498 0.00 . 439 202 202 GLY H H 8.669 0.00 . 440 202 202 GLY N N 109.806 0.00 . 441 203 203 ASN H H 8.381 0.00 . 442 203 203 ASN N N 118.925 0.00 . 443 205 205 LEU H H 8.215 0.00 . 444 205 205 LEU N N 120.391 0.00 . 445 206 206 GLU H H 8.292 0.00 . 446 206 206 GLU N N 121.478 0.00 . 447 207 207 LYS H H 8.447 0.00 . 448 207 207 LYS N N 122.632 0.00 . 449 208 208 GLY H H 8.498 0.00 . 450 208 208 GLY N N 109.872 0.00 . 451 209 209 GLY H H 8.352 0.00 . 452 209 209 GLY N N 108.815 0.00 . 453 211 211 GLY H H 8.599 0.00 . 454 211 211 GLY N N 110.302 0.00 . 455 212 212 SER H H 8.275 0.00 . 456 212 212 SER N N 115.853 0.00 . 457 213 213 ILE H H 8.422 0.00 . 458 213 213 ILE N N 122.767 0.00 . 459 214 214 THR H H 8.101 0.00 . 460 214 214 THR N N 117.339 0.00 . 461 215 215 GLU H H 8.295 0.00 . 462 215 215 GLU N N 123.248 0.00 . 463 216 216 GLN H H 8.369 0.00 . 464 216 216 GLN N N 120.833 0.00 . 465 217 217 LEU H H 8.233 0.00 . 466 217 217 LEU N N 122.642 0.00 . 467 218 218 LEU H H 8.170 0.00 . 468 218 218 LEU N N 122.074 0.00 . 469 219 219 ASN H H 8.317 0.00 . 470 219 219 ASN N N 118.529 0.00 . 471 220 220 ALA H H 8.117 0.00 . 472 220 220 ALA N N 123.844 0.00 . 473 221 221 ARG H H 8.220 0.00 . 474 221 221 ARG N N 119.718 0.00 . 475 222 222 ALA H H 8.291 0.00 . 476 222 222 ALA N N 124.979 0.00 . 477 223 223 ASP H H 8.370 0.00 . 478 223 223 ASP N N 119.553 0.00 . 479 224 224 VAL H H 8.143 0.00 . 480 224 224 VAL N N 120.391 0.00 . 481 225 225 THR H H 8.368 0.00 . 482 225 225 THR N N 117.637 0.00 . 483 226 226 LEU H H 8.288 0.00 . 484 226 226 LEU N N 124.690 0.00 . 485 227 227 GLY H H 8.467 0.00 . 486 227 227 GLY N N 109.806 0.00 . 487 228 228 GLY H H 8.337 0.00 . 488 228 228 GLY N N 108.620 0.00 . 489 234 234 ALA H H 8.282 0.00 . 490 234 234 ALA N N 125.037 0.00 . 491 235 235 GLU H H 8.538 0.00 . 492 235 235 GLU HA H 4.323 0.00 . 493 235 235 GLU HB2 H 2.053 0.00 . 494 235 235 GLU HB3 H 1.955 0.00 . 495 235 235 GLU HG3 H 2.267 0.00 . 496 235 235 GLU C C 176.653 0.00 . 497 235 235 GLU CA C 56.825 0.04 . 498 235 235 GLU CB C 30.201 0.04 . 499 235 235 GLU CG C 36.325 0.02 . 500 235 235 GLU N N 122.607 0.00 . 501 236 236 THR H H 8.201 0.00 . 502 236 236 THR HA H 4.318 0.00 . 503 236 236 THR HB H 4.207 0.00 . 504 236 236 THR HG2 H 1.189 0.00 . 505 236 236 THR C C 174.405 0.00 . 506 236 236 THR CA C 61.909 0.06 . 507 236 236 THR CB C 69.895 0.08 . 508 236 236 THR CG2 C 21.691 0.04 . 509 236 236 THR N N 115.318 0.02 . 510 237 237 ALA H H 8.398 0.00 . 511 237 237 ALA HA H 4.397 0.00 . 512 237 237 ALA HB H 1.392 0.00 . 513 237 237 ALA C C 177.882 0.00 . 514 237 237 ALA CA C 52.736 0.02 . 515 237 237 ALA CB C 19.303 0.04 . 516 237 237 ALA N N 126.648 0.01 . 517 238 238 THR H H 8.171 0.00 . 518 238 238 THR HA H 4.312 0.00 . 519 238 238 THR HB H 4.210 0.00 . 520 238 238 THR HG2 H 1.188 0.00 . 521 238 238 THR C C 174.280 0.00 . 522 238 238 THR CA C 61.925 0.01 . 523 238 238 THR CB C 69.865 0.04 . 524 238 238 THR CG2 C 21.654 0.05 . 525 238 238 THR N N 113.777 0.02 . 526 239 239 ALA H H 8.341 0.00 . 527 239 239 ALA HA H 4.346 0.00 . 528 239 239 ALA HB H 1.402 0.01 . 529 239 239 ALA C C 177.923 0.00 . 530 239 239 ALA CA C 52.712 0.06 . 531 239 239 ALA CB C 19.341 0.04 . 532 239 239 ALA N N 126.493 0.02 . 533 240 240 GLY H H 8.263 0.00 . 534 240 240 GLY HA2 H 3.795 0.00 . 535 240 240 GLY HA3 H 3.995 0.01 . 536 240 240 GLY C C 173.739 0.00 . 537 240 240 GLY CA C 45.277 0.00 . 538 240 240 GLY N N 107.656 0.02 . 539 241 241 GLU H H 8.232 0.00 . 540 241 241 GLU HA H 4.361 0.00 . 541 241 241 GLU HB2 H 1.972 0.00 . 542 241 241 GLU HB3 H 1.882 0.00 . 543 241 241 GLU HG2 H 2.126 0.00 . 544 241 241 GLU HG3 H 2.192 0.00 . 545 241 241 GLU CA C 56.412 0.07 . 546 241 241 GLU CB C 30.974 0.12 . 547 241 241 GLU CG C 36.100 0.06 . 548 241 241 GLU N N 120.614 0.03 . 549 242 242 TRP HA H 4.706 0.01 . 550 242 242 TRP HB2 H 3.224 0.01 . 551 242 242 TRP HB3 H 3.263 0.00 . 552 242 242 TRP HD1 H 7.278 0.00 . 553 242 242 TRP HE1 H 10.183 0.00 . 554 242 242 TRP HE3 H 7.558 0.00 . 555 242 242 TRP HZ2 H 7.442 0.01 . 556 242 242 TRP HZ3 H 7.022 0.00 . 557 242 242 TRP HH2 H 7.072 0.00 . 558 242 242 TRP CA C 57.668 0.00 . 559 242 242 TRP CB C 29.331 0.03 . 560 242 242 TRP CD1 C 127.410 0.00 . 561 242 242 TRP CE3 C 120.786 0.00 . 562 242 242 TRP CZ2 C 114.716 0.00 . 563 242 242 TRP CZ3 C 121.953 0.00 . 564 242 242 TRP CH2 C 124.244 0.00 . 565 242 242 TRP NE1 N 129.743 0.01 . 566 243 243 GLN HA H 4.298 0.00 . 567 243 243 GLN HB2 H 1.913 0.00 . 568 243 243 GLN HB3 H 2.082 0.00 . 569 243 243 GLN HG2 H 2.182 0.00 . 570 243 243 GLN HG3 H 2.210 0.00 . 571 243 243 GLN HE21 H 7.367 0.00 . 572 243 243 GLN HE22 H 6.939 0.00 . 573 243 243 GLN CA C 55.695 0.08 . 574 243 243 GLN CB C 29.761 0.00 . 575 243 243 GLN CG C 33.800 0.02 . 576 243 243 GLN NE2 N 112.409 0.01 . 577 245 245 LYS HA H 4.277 0.00 . 578 245 245 LYS HB2 H 1.716 0.00 . 579 245 245 LYS HB3 H 1.821 0.00 . 580 245 245 LYS HG3 H 1.382 0.00 . 581 245 245 LYS HD3 H 1.638 0.00 . 582 245 245 LYS HE3 H 2.952 0.00 . 583 245 245 LYS C C 177.331 0.00 . 584 245 245 LYS CA C 56.803 0.12 . 585 245 245 LYS CB C 32.991 0.03 . 586 245 245 LYS CG C 24.746 0.08 . 587 245 245 LYS CD C 29.116 0.04 . 588 245 245 LYS CE C 42.158 0.02 . 589 246 246 THR H H 8.333 0.00 . 590 246 246 THR N N 114.909 0.00 . 591 247 247 LEU H H 8.394 0.00 . 592 247 247 LEU N N 123.600 0.00 . 593 248 248 ARG H H 8.302 0.00 . 594 248 248 ARG N N 120.937 0.00 . 595 249 249 GLU H H 8.212 0.00 . 596 249 249 GLU N N 120.719 0.00 . 597 250 250 GLN H H 8.377 0.00 . 598 250 250 GLN N N 120.719 0.00 . 599 251 251 ALA H H 8.177 0.00 . 600 251 251 ALA N N 123.527 0.00 . 601 252 252 GLN H H 8.161 0.00 . 602 252 252 GLN N N 118.661 0.00 . 603 253 253 ALA H H 8.102 0.00 . 604 253 253 ALA N N 123.945 0.00 . 605 254 254 ARG H H 8.119 0.00 . 606 254 254 ARG N N 119.121 0.00 . 607 255 255 GLY H H 8.209 0.00 . 608 255 255 GLY N N 108.760 0.00 . 609 258 258 LEU H H 8.266 0.00 . 610 258 258 LEU N N 123.611 0.00 . 611 259 259 VAL H H 8.204 0.00 . 612 259 259 VAL N N 121.639 0.00 . 613 260 260 SER H H 8.394 0.00 . 614 260 260 SER N N 119.412 0.00 . 615 261 261 ASP H H 8.391 0.00 . 616 261 261 ASP N N 122.946 0.00 . 617 262 262 ALA H H 8.274 0.00 . 618 262 262 ALA N N 124.446 0.00 . 619 263 263 ALA H H 8.241 0.00 . 620 263 263 ALA N N 121.881 0.00 . 621 264 264 SER H H 8.113 0.00 . 622 264 264 SER N N 114.498 0.00 . 623 265 265 LEU H H 8.142 0.00 . 624 265 265 LEU N N 123.484 0.00 . 625 266 266 ASN H H 8.340 0.00 . 626 266 266 ASN N N 118.605 0.00 . 627 267 267 SER H H 8.199 0.00 . 628 267 267 SER N N 115.902 0.00 . 629 268 268 VAL H H 8.196 0.00 . 630 268 268 VAL N N 122.172 0.00 . 631 269 269 THR H H 8.236 0.00 . 632 269 269 THR N N 117.814 0.00 . 633 270 270 GLU H H 8.425 0.00 . 634 270 270 GLU N N 123.334 0.00 . 635 271 271 ALA H H 8.328 0.00 . 636 271 271 ALA N N 124.279 0.00 . 637 272 272 ASN H H 8.340 0.00 . 638 272 272 ASN N N 116.918 0.00 . 639 273 273 GLN H H 8.193 0.00 . 640 273 273 GLN N N 120.065 0.00 . 641 274 274 GLN H H 8.417 0.00 . 642 274 274 GLN N N 121.421 0.00 . 643 275 275 LYS H H 8.321 0.00 . 644 275 275 LYS N N 121.106 0.00 . 645 277 277 LEU H H 8.395 0.00 . 646 277 277 LEU N N 122.626 0.00 . 647 278 278 LEU H H 8.230 0.00 . 648 278 278 LEU N N 122.607 0.00 . 649 279 279 GLY H H 8.354 0.00 . 650 279 279 GLY N N 109.269 0.00 . 651 280 280 LEU H H 8.012 0.00 . 652 280 280 LEU N N 121.324 0.00 . 653 281 281 PHE H H 8.287 0.00 . 654 281 281 PHE N N 120.090 0.00 . 655 282 282 ALA H H 8.247 0.00 . 656 282 282 ALA N N 125.257 0.00 . 657 283 283 ASP H H 8.250 0.00 . 658 283 283 ASP N N 119.194 0.00 . 659 284 284 GLY H H 8.337 0.00 . 660 284 284 GLY N N 109.148 0.00 . 661 285 285 ASN H H 8.308 0.00 . 662 285 285 ASN N N 118.419 0.00 . 663 286 286 MET H H 8.188 0.00 . 664 286 286 MET N N 121.494 0.00 . 665 288 288 VAL H H 8.244 0.00 . 666 288 288 VAL N N 120.719 0.00 . 667 289 289 ARG H H 8.345 0.00 . 668 289 289 ARG N N 124.378 0.00 . 669 290 290 TRP H H 8.306 0.00 . 670 290 290 TRP N N 123.164 0.00 . 671 291 291 LEU H H 8.146 0.00 . 672 291 291 LEU N N 125.663 0.00 . 673 292 292 GLY H H 7.266 0.00 . 674 292 292 GLY N N 108.664 0.00 . 675 294 294 LYS H H 8.452 0.00 . 676 294 294 LYS N N 121.445 0.00 . 677 295 295 ALA H H 8.260 0.00 . 678 295 295 ALA N N 125.078 0.00 . 679 296 296 THR H H 8.067 0.00 . 680 296 296 THR N N 113.408 0.00 . 681 297 297 TYR H H 8.210 0.00 . 682 297 297 TYR N N 122.704 0.00 . 683 299 299 GLY H H 7.674 0.00 . 684 299 299 GLY N N 109.051 0.00 . 685 300 300 ASN H H 8.452 0.00 . 686 300 300 ASN N N 118.820 0.00 . 687 301 301 ILE H H 8.151 0.00 . 688 301 301 ILE N N 120.913 0.00 . 689 302 302 ASP H H 8.401 0.00 . 690 302 302 ASP N N 124.089 0.00 . 691 303 303 LYS H H 8.147 0.00 . 692 303 303 LYS N N 122.510 0.00 . 693 305 305 ALA H H 8.496 0.00 . 694 305 305 ALA N N 124.900 0.00 . 695 306 306 VAL H H 8.265 0.00 . 696 306 306 VAL N N 119.969 0.00 . 697 307 307 THR H H 8.349 0.00 . 698 307 307 THR N N 118.613 0.00 . 699 313 313 GLN H H 8.433 0.00 . 700 313 313 GLN N N 120.138 0.00 . 701 314 314 ARG H H 8.357 0.00 . 702 314 314 ARG N N 121.010 0.00 . 703 316 316 ASP H H 8.423 0.00 . 704 316 316 ASP N N 121.106 0.00 . 705 317 317 SER H H 8.238 0.00 . 706 317 317 SER N N 115.781 0.00 . 707 318 318 VAL H H 8.164 0.00 . 708 318 318 VAL N N 123.382 0.00 . 709 325 325 THR H H 8.155 0.00 . 710 325 325 THR N N 114.958 0.00 . 711 326 326 ASP H H 8.412 0.00 . 712 326 326 ASP N N 122.559 0.00 . 713 328 328 ALA H H 8.189 0.00 . 714 328 328 ALA N N 124.220 0.00 . 715 329 329 ILE H H 8.055 0.00 . 716 329 329 ILE N N 119.799 0.00 . 717 330 330 GLU H H 8.293 0.00 . 718 330 330 GLU N N 123.874 0.00 . 719 331 331 LEU H H 8.124 0.00 . 720 331 331 LEU N N 121.857 0.00 . 721 332 332 LEU H H 8.023 0.00 . 722 332 332 LEU N N 121.470 0.00 . 723 333 333 SER H H 8.193 0.00 . 724 333 333 SER N N 115.708 0.00 . 725 335 335 ASN H H 8.191 0.00 . 726 335 335 ASN N N 122.251 0.00 . 727 338 338 GLY H H 8.254 0.00 . 728 338 338 GLY N N 108.833 0.00 . 729 339 339 PHE H H 7.971 0.00 . 730 339 339 PHE N N 119.920 0.00 . 731 340 340 PHE H H 8.159 0.00 . 732 340 340 PHE N N 121.712 0.00 . 733 341 341 LEU H H 8.090 0.00 . 734 341 341 LEU N N 124.089 0.00 . 735 342 342 GLN H H 8.356 0.00 . 736 342 342 GLN N N 122.438 0.00 . 737 343 343 VAL H H 8.279 0.00 . 738 343 343 VAL N N 122.607 0.00 . 739 344 344 GLU H H 8.627 0.00 . 740 344 344 GLU N N 125.504 0.00 . 741 345 345 GLY H H 8.576 0.00 . 742 345 345 GLY N N 111.230 0.00 . 743 346 346 ALA H H 8.110 0.00 . 744 346 346 ALA N N 123.552 0.00 . 745 347 347 SER H H 8.426 0.00 . 746 347 347 SER N N 115.926 0.00 . 747 348 348 ILE H H 8.326 0.00 . 748 348 348 ILE N N 122.488 0.00 . 749 349 349 ASP H H 7.978 0.00 . 750 349 349 ASP N N 129.150 0.00 . 751 350 350 LYS H H 8.318 0.00 . 752 350 350 LYS N N 121.461 0.00 . 753 351 351 GLN H H 8.478 0.00 . 754 351 351 GLN N N 121.306 0.00 . 755 352 352 ASP H H 8.407 0.00 . 756 352 352 ASP N N 121.556 0.00 . 757 353 353 HIS H H 8.136 0.00 . 758 353 353 HIS N N 120.260 0.00 . 759 354 354 ALA H H 8.217 0.00 . 760 354 354 ALA N N 124.439 0.00 . 761 358 358 CYS H H 8.491 0.00 . 762 358 358 CYS N N 119.006 0.00 . 763 359 359 GLY H H 8.373 0.00 . 764 359 359 GLY N N 110.868 0.00 . 765 360 360 GLN H H 8.309 0.00 . 766 360 360 GLN N N 120.215 0.00 . 767 361 361 ILE H H 8.378 0.00 . 768 361 361 ILE N N 123.016 0.00 . 769 362 362 GLY H H 8.562 0.00 . 770 362 362 GLY N N 113.277 0.00 . 771 363 363 GLU H H 8.340 0.00 . 772 363 363 GLU N N 120.635 0.00 . 773 364 364 THR H H 8.416 0.00 . 774 364 364 THR N N 116.470 0.00 . 775 365 365 VAL H H 8.279 0.00 . 776 365 365 VAL N N 123.060 0.00 . 777 366 366 ASP H H 8.494 0.00 . 778 366 366 ASP N N 124.594 0.00 . 779 367 367 LEU H H 8.369 0.00 . 780 367 367 LEU N N 123.834 0.00 . 781 368 368 ASP H H 8.416 0.00 . 782 368 368 ASP N N 121.048 0.00 . 783 369 369 GLU H H 8.479 0.00 . 784 369 369 GLU N N 122.788 0.00 . 785 370 370 ALA H H 8.248 0.00 . 786 370 370 ALA N N 122.301 0.00 . 787 371 371 VAL H H 7.912 0.00 . 788 371 371 VAL N N 120.288 0.00 . 789 372 372 GLN H H 8.123 0.00 . 790 372 372 GLN N N 120.196 0.00 . 791 373 373 ARG H H 8.349 0.00 . 792 373 373 ARG N N 119.736 0.00 . 793 374 374 ALA H H 7.890 0.00 . 794 374 374 ALA N N 122.544 0.00 . 795 375 375 LEU H H 8.095 0.00 . 796 375 375 LEU N N 120.620 0.00 . 797 376 376 GLU H H 8.066 0.00 . 798 376 376 GLU N N 119.802 0.00 . 799 377 377 PHE H H 8.167 0.00 . 800 377 377 PHE N N 119.868 0.00 . 801 378 378 ALA H H 7.966 0.00 . 802 378 378 ALA N N 122.220 0.00 . 803 379 379 LYS H H 7.925 0.00 . 804 379 379 LYS N N 118.925 0.00 . 805 380 380 LYS H H 8.021 0.00 . 806 380 380 LYS N N 121.357 0.00 . 807 384 384 THR H H 8.200 0.00 . 808 384 384 THR N N 115.054 0.00 . 809 385 385 LEU H H 8.290 0.00 . 810 385 385 LEU N N 125.198 0.00 . 811 386 386 VAL H H 8.226 0.00 . 812 386 386 VAL N N 123.363 0.00 . 813 387 387 ILE H H 8.395 0.00 . 814 387 387 ILE N N 126.872 0.00 . 815 388 388 VAL H H 8.474 0.00 . 816 388 388 VAL N N 126.481 0.00 . 817 389 389 THR H H 8.337 0.00 . 818 389 389 THR N N 119.256 0.00 . 819 390 390 ALA H H 8.471 0.00 . 820 390 390 ALA N N 126.356 0.00 . 821 393 393 ALA H H 8.552 0.00 . 822 393 393 ALA N N 125.722 0.00 . 823 394 394 HIS H H 8.478 0.00 . 824 394 394 HIS N N 119.242 0.00 . 825 395 395 ALA H H 8.205 0.00 . 826 395 395 ALA N N 124.948 0.00 . 827 396 396 SER H H 8.392 0.00 . 828 396 396 SER N N 114.855 0.00 . 829 397 397 GLN H H 8.345 0.00 . 830 397 397 GLN N N 121.991 0.00 . 831 398 398 ILE H H 8.188 0.00 . 832 398 398 ILE N N 122.648 0.00 . 833 399 399 VAL H H 8.327 0.00 . 834 399 399 VAL N N 126.017 0.00 . 835 400 400 ALA H H 8.544 0.00 . 836 400 400 ALA N N 130.279 0.00 . 837 402 402 ASP H H 8.512 0.00 . 838 402 402 ASP N N 120.340 0.00 . 839 403 403 THR H H 8.146 0.00 . 840 403 403 THR N N 115.201 0.00 . 841 404 404 LYS H H 8.369 0.00 . 842 404 404 LYS N N 123.760 0.00 . 843 405 405 ALA H H 8.318 0.00 . 844 405 405 ALA N N 126.857 0.00 . 845 409 409 THR H H 8.230 0.00 . 846 409 409 THR N N 115.312 0.00 . 847 410 410 GLN H H 8.428 0.00 . 848 410 410 GLN N N 123.009 0.00 . 849 411 411 ALA H H 8.415 0.00 . 850 411 411 ALA N N 125.692 0.00 . 851 412 412 LEU H H 8.324 0.00 . 852 412 412 LEU N N 121.394 0.00 . 853 413 413 ASN H H 8.525 0.00 . 854 413 413 ASN N N 119.566 0.00 . 855 414 414 THR H H 8.166 0.00 . 856 414 414 THR N N 114.280 0.00 . 857 415 415 LYS H H 8.448 0.00 . 858 415 415 LYS N N 123.134 0.00 . 859 417 417 GLY H H 8.336 0.00 . 860 417 417 GLY N N 109.310 0.00 . 861 418 418 ALA H H 8.095 0.00 . 862 418 418 ALA N N 123.643 0.00 . 863 419 419 VAL H H 8.168 0.00 . 864 419 419 VAL N N 119.706 0.00 . 865 420 420 MET H H 8.501 0.00 . 866 420 420 MET N N 125.169 0.00 . 867 421 421 VAL H H 8.324 0.00 . 868 421 421 VAL N N 122.979 0.00 . 869 422 422 MET H H 8.529 0.00 . 870 422 422 MET N N 124.926 0.00 . 871 424 424 TYR H H 8.377 0.00 . 872 424 424 TYR N N 122.243 0.00 . 873 425 425 GLY H H 8.415 0.00 . 874 425 425 GLY N N 110.318 0.00 . 875 426 426 ASN H H 8.400 0.00 . 876 426 426 ASN N N 118.777 0.00 . 877 427 427 SER H H 8.539 0.00 . 878 427 427 SER N N 116.801 0.00 . 879 428 428 GLU H H 8.619 0.00 . 880 428 428 GLU N N 122.603 0.00 . 881 429 429 GLU H H 8.400 0.00 . 882 429 429 GLU N N 120.856 0.00 . 883 430 430 ASP H H 8.352 0.00 . 884 430 430 ASP N N 121.121 0.00 . 885 431 431 SER H H 8.274 0.00 . 886 431 431 SER N N 116.285 0.00 . 887 432 432 GLN H H 8.486 0.00 . 888 432 432 GLN N N 121.962 0.00 . 889 435 435 THR H H 8.177 0.00 . 890 435 435 THR N N 114.936 0.00 . 891 436 436 GLY H H 8.508 0.00 . 892 436 436 GLY N N 111.133 0.00 . 893 437 437 SER H H 8.480 0.00 . 894 437 437 SER HA H 4.398 0.01 . 895 437 437 SER HB2 H 3.890 0.00 . 896 437 437 SER C C 174.602 0.00 . 897 437 437 SER CA C 58.847 0.01 . 898 437 437 SER CB C 63.752 0.02 . 899 437 437 SER N N 117.629 0.02 . 900 438 438 GLN H H 8.454 0.00 . 901 438 438 GLN HA H 4.324 0.00 . 902 438 438 GLN HB2 H 1.980 0.00 . 903 438 438 GLN HB3 H 2.112 0.00 . 904 438 438 GLN HG3 H 2.355 0.01 . 905 438 438 GLN CA C 56.018 0.04 . 906 438 438 GLN CB C 29.375 0.04 . 907 438 438 GLN CG C 33.876 0.02 . 908 438 438 GLN N N 122.127 0.06 . 909 439 439 LEU H H 8.154 0.00 . 910 439 439 LEU HA H 4.315 0.00 . 911 439 439 LEU HB2 H 1.521 0.01 . 912 439 439 LEU HB3 H 1.609 0.00 . 913 439 439 LEU HG H 1.574 0.01 . 914 439 439 LEU HD1 H 0.834 0.01 . 915 439 439 LEU HD2 H 0.879 0.00 . 916 439 439 LEU C C 177.091 0.00 . 917 439 439 LEU CA C 55.450 0.03 . 918 439 439 LEU CB C 42.454 0.03 . 919 439 439 LEU CG C 27.021 0.08 . 920 439 439 LEU CD1 C 23.753 0.05 . 921 439 439 LEU CD2 C 24.998 0.07 . 922 439 439 LEU N N 122.872 0.05 . 923 440 440 ARG H H 8.321 0.00 . 924 440 440 ARG HA H 4.363 0.01 . 925 440 440 ARG HB2 H 1.760 0.01 . 926 440 440 ARG HB3 H 1.820 0.01 . 927 440 440 ARG HG2 H 1.613 0.01 . 928 440 440 ARG HG3 H 1.560 0.01 . 929 440 440 ARG HD2 H 3.166 0.00 . 930 440 440 ARG HD3 H 3.203 0.00 . 931 440 440 ARG CA C 55.973 0.07 . 932 440 440 ARG CB C 30.729 0.06 . 933 440 440 ARG CG C 27.242 0.05 . 934 440 440 ARG CD C 43.357 0.03 . 935 440 440 ARG N N 122.363 0.02 . 936 441 441 ILE H H 8.152 0.00 . 937 441 441 ILE HA H 4.107 0.01 . 938 441 441 ILE HB H 1.817 0.01 . 939 441 441 ILE HG12 H 1.447 0.01 . 940 441 441 ILE HG13 H 1.125 0.00 . 941 441 441 ILE HG2 H 0.866 0.01 . 942 441 441 ILE HD1 H 0.825 0.01 . 943 441 441 ILE C C 175.996 0.00 . 944 441 441 ILE CA C 61.218 0.07 . 945 441 441 ILE CB C 38.724 0.04 . 946 441 441 ILE CG1 C 27.428 0.04 . 947 441 441 ILE CG2 C 17.597 0.07 . 948 441 441 ILE CD1 C 12.984 0.05 . 949 441 441 ILE N N 122.341 0.02 . 950 442 442 ALA H H 8.369 0.00 . 951 442 442 ALA HA H 4.262 0.00 . 952 442 442 ALA HB H 1.322 0.00 . 953 442 442 ALA C C 177.069 0.00 . 954 442 442 ALA CA C 52.461 0.04 . 955 442 442 ALA CB C 19.334 0.04 . 956 442 442 ALA N N 128.004 0.03 . 957 443 443 ALA H H 8.096 0.00 . 958 443 443 ALA HA H 4.257 0.00 . 959 443 443 ALA HB H 1.274 0.01 . 960 443 443 ALA C C 177.153 0.00 . 961 443 443 ALA CA C 52.487 0.06 . 962 443 443 ALA CB C 19.400 0.03 . 963 443 443 ALA N N 122.674 0.01 . 964 444 444 TYR H H 8.041 0.01 . 965 444 444 TYR HA H 4.631 0.01 . 966 444 444 TYR HB2 H 2.923 0.00 . 967 444 444 TYR HB3 H 3.079 0.01 . 968 444 444 TYR HD1 H 7.095 0.00 . 969 444 444 TYR HD2 H 7.097 0.00 . 970 444 444 TYR HE1 H 6.776 0.00 . 971 444 444 TYR HE2 H 6.778 0.00 . 972 444 444 TYR C C 175.947 0.00 . 973 444 444 TYR CA C 57.467 0.06 . 974 444 444 TYR CB C 39.138 0.04 . 975 444 444 TYR CD1 C 133.209 0.00 . 976 444 444 TYR CD2 C 133.261 0.00 . 977 444 444 TYR CE1 C 118.194 0.00 . 978 444 444 TYR CE2 C 118.188 0.00 . 979 444 444 TYR N N 118.602 0.02 . 980 445 445 GLY H H 8.118 0.00 . 981 445 445 GLY HA3 H 4.038 0.00 . 982 445 445 GLY CA C 44.743 0.02 . 983 445 445 GLY N N 109.983 0.02 . 984 446 446 PRO HA H 4.359 0.01 . 985 446 446 PRO HB2 H 1.763 0.00 . 986 446 446 PRO HB3 H 2.180 0.01 . 987 446 446 PRO HG2 H 1.819 0.01 . 988 446 446 PRO HG3 H 1.941 0.00 . 989 446 446 PRO HD2 H 3.523 0.02 . 990 446 446 PRO C C 177.104 0.00 . 991 446 446 PRO CA C 63.432 0.04 . 992 446 446 PRO CB C 32.028 0.05 . 993 446 446 PRO CG C 27.052 0.03 . 994 446 446 PRO CD C 49.791 0.03 . 995 447 447 HIS H H 8.436 0.00 . 996 447 447 HIS HA H 4.629 0.01 . 997 447 447 HIS HB2 H 3.070 0.00 . 998 447 447 HIS HB3 H 3.151 0.01 . 999 447 447 HIS CA C 56.352 0.04 . 1000 447 447 HIS CB C 30.519 0.08 . 1001 447 447 HIS N N 119.106 0.06 . 1002 448 448 ALA H H 8.025 0.00 . 1003 448 448 ALA N N 124.918 0.00 . 1004 451 451 VAL H H 8.074 0.00 . 1005 451 451 VAL N N 120.546 0.00 . 1006 452 452 VAL H H 8.263 0.00 . 1007 452 452 VAL N N 124.432 0.00 . 1008 453 453 GLY H H 8.536 0.00 . 1009 453 453 GLY N N 112.747 0.00 . 1010 454 454 LEU H H 8.182 0.00 . 1011 454 454 LEU N N 121.719 0.00 . 1012 455 455 THR H H 8.230 0.00 . 1013 455 455 THR N N 114.155 0.00 . 1014 456 456 ASP H H 8.371 0.00 . 1015 456 456 ASP N N 122.331 0.00 . 1016 457 457 GLN H H 8.421 0.00 . 1017 457 457 GLN N N 120.782 0.00 . 1018 458 458 THR H H 8.250 0.00 . 1019 458 458 THR N N 114.722 0.00 . 1020 461 461 PHE H H 8.202 0.00 . 1021 461 461 PHE N N 119.330 0.00 . 1022 462 462 TYR H H 7.976 0.00 . 1023 462 462 TYR N N 119.610 0.00 . 1024 463 463 THR H H 8.082 0.00 . 1025 463 463 THR N N 115.445 0.00 . 1026 464 464 MET H H 8.212 0.00 . 1027 464 464 MET N N 122.220 0.00 . 1028 465 465 LYS H H 8.095 0.00 . 1029 465 465 LYS N N 121.483 0.00 . 1030 466 466 ALA H H 8.162 0.00 . 1031 466 466 ALA N N 123.680 0.00 . 1032 467 467 ALA H H 8.089 0.00 . 1033 467 467 ALA N N 122.404 0.00 . 1034 468 468 LEU H H 8.015 0.00 . 1035 468 468 LEU N N 119.817 0.00 . 1036 469 469 GLY H H 8.214 0.00 . 1037 469 469 GLY N N 108.751 0.00 . 1038 470 470 LEU H H 7.997 0.00 . 1039 470 470 LEU N N 121.446 0.00 . 1040 471 471 LYS H H 7.949 0.00 . 1041 471 471 LYS N N 126.850 0.00 . stop_ save_