data_30080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of chaperone SecB in complex with unstructured proPhoA ; _BMRB_accession_number 30080 _BMRB_flat_file_name bmr30080.str _Entry_type original _Submission_date 2016-05-09 _Accession_date 2016-05-09 _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 Huang C. . . 2 Saio T. . . 3 Rossi P. . . 4 Kalodimos C. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1663 "13C chemical shifts" 3011 "15N chemical shifts" 926 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-04 update BMRB 'update entry citation' 2016-08-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30081 'SecB in complex with unstructured PhoA binding site a' 30082 'SecB in complex with unstructured proPhoA binding site c' 30083 'SecB in complex with unstructured proPhoA binding site d' 30084 'SecB in complex with unstructured proPhoA binding site e' 30085 'SecB in complex with unstructured MBP binding site d' 30086 'SecB in complex with unstructured MBP binding site e' stop_ _Original_release_date 2016-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the antifolding activity of a molecular chaperone ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27501151 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang C. . . 2 Saio T. . . 3 Rossi P. . . 4 Kalodimos C. G. . stop_ _Journal_abbreviation Nature _Journal_volume 537 _Journal_issue 7619 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 202 _Page_last 206 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein-export protein SecB, Alkaline phosphatase (E.C.3.1.3.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, chain 1' $entity_1 'entity_1, chain 2' $entity_1 'entity_1, chain 3' $entity_1 'entity_1, chain 4' $entity_1 entity_2 $entity_2 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 'Protein-export protein SecB' _Molecular_mass 17287.266 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; MSEQNNTEMTFQIQRIYTKD ISFEAPNAPHVFQKDWQPEV KLDLDTASSQLADDVYEVVL RVTVTASLGEETAFLCEVQQ GGIFSIAGIEGTQMAHCLGA YCPNILFPYARECITSMVSR GTFPQLNLAPVNFDALFMNY LQQQAGEGTEEHQDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLU 4 4 GLN 5 5 ASN 6 6 ASN 7 7 THR 8 8 GLU 9 9 MET 10 10 THR 11 11 PHE 12 12 GLN 13 13 ILE 14 14 GLN 15 15 ARG 16 16 ILE 17 17 TYR 18 18 THR 19 19 LYS 20 20 ASP 21 21 ILE 22 22 SER 23 23 PHE 24 24 GLU 25 25 ALA 26 26 PRO 27 27 ASN 28 28 ALA 29 29 PRO 30 30 HIS 31 31 VAL 32 32 PHE 33 33 GLN 34 34 LYS 35 35 ASP 36 36 TRP 37 37 GLN 38 38 PRO 39 39 GLU 40 40 VAL 41 41 LYS 42 42 LEU 43 43 ASP 44 44 LEU 45 45 ASP 46 46 THR 47 47 ALA 48 48 SER 49 49 SER 50 50 GLN 51 51 LEU 52 52 ALA 53 53 ASP 54 54 ASP 55 55 VAL 56 56 TYR 57 57 GLU 58 58 VAL 59 59 VAL 60 60 LEU 61 61 ARG 62 62 VAL 63 63 THR 64 64 VAL 65 65 THR 66 66 ALA 67 67 SER 68 68 LEU 69 69 GLY 70 70 GLU 71 71 GLU 72 72 THR 73 73 ALA 74 74 PHE 75 75 LEU 76 76 CYS 77 77 GLU 78 78 VAL 79 79 GLN 80 80 GLN 81 81 GLY 82 82 GLY 83 83 ILE 84 84 PHE 85 85 SER 86 86 ILE 87 87 ALA 88 88 GLY 89 89 ILE 90 90 GLU 91 91 GLY 92 92 THR 93 93 GLN 94 94 MET 95 95 ALA 96 96 HIS 97 97 CYS 98 98 LEU 99 99 GLY 100 100 ALA 101 101 TYR 102 102 CYS 103 103 PRO 104 104 ASN 105 105 ILE 106 106 LEU 107 107 PHE 108 108 PRO 109 109 TYR 110 110 ALA 111 111 ARG 112 112 GLU 113 113 CYS 114 114 ILE 115 115 THR 116 116 SER 117 117 MET 118 118 VAL 119 119 SER 120 120 ARG 121 121 GLY 122 122 THR 123 123 PHE 124 124 PRO 125 125 GLN 126 126 LEU 127 127 ASN 128 128 LEU 129 129 ALA 130 130 PRO 131 131 VAL 132 132 ASN 133 133 PHE 134 134 ASP 135 135 ALA 136 136 LEU 137 137 PHE 138 138 MET 139 139 ASN 140 140 TYR 141 141 LEU 142 142 GLN 143 143 GLN 144 144 GLN 145 145 ALA 146 146 GLY 147 147 GLU 148 148 GLY 149 149 THR 150 150 GLU 151 151 GLU 152 152 HIS 153 153 GLN 154 154 ASP 155 155 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 'Alkaline phosphatase' _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_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 GLN 4 4 SER 5 5 THR 6 6 ILE 7 7 ALA 8 8 LEU 9 9 ALA 10 10 LEU 11 11 LEU 12 12 PRO 13 13 LEU 14 14 LEU 15 15 PHE 16 16 THR 17 17 PRO 18 18 VAL 19 19 THR 20 20 LYS 21 21 ALA 22 22 ARG 23 23 THR 24 24 PRO 25 25 GLU 26 26 MET 27 27 PRO 28 28 VAL 29 29 LEU 30 30 GLU 31 31 ASN 32 32 ARG 33 33 ALA 34 34 ALA 35 35 GLN 36 36 GLY 37 37 ASP 38 38 ILE 39 39 THR 40 40 ALA 41 41 PRO 42 42 GLY 43 43 GLY 44 44 ALA 45 45 ARG 46 46 ARG 47 47 LEU 48 48 THR 49 49 GLY 50 50 ASP 51 51 GLN 52 52 THR 53 53 ALA 54 54 ALA 55 55 LEU 56 56 ARG 57 57 ASP 58 58 SER 59 59 LEU 60 60 SER 61 61 ASP 62 62 LYS 63 63 PRO 64 64 ALA 65 65 LYS 66 66 ASN 67 67 ILE 68 68 ILE 69 69 LEU 70 70 LEU 71 71 ILE 72 72 GLY 73 73 ASP 74 74 GLY 75 75 MET 76 76 GLY 77 77 ASP 78 78 SER 79 79 GLU 80 80 ILE 81 81 THR 82 82 ALA 83 83 ALA 84 84 ARG 85 85 ASN 86 86 TYR 87 87 ALA 88 88 GLU 89 89 GLY 90 90 ALA 91 91 GLY 92 92 GLY 93 93 PHE 94 94 PHE 95 95 LYS 96 96 GLY 97 97 ILE 98 98 ASP 99 99 ALA 100 100 LEU 101 101 PRO 102 102 LEU 103 103 THR 104 104 GLY 105 105 GLN 106 106 TYR 107 107 THR 108 108 HIS 109 109 TYR 110 110 ALA 111 111 LEU 112 112 ASN 113 113 LYS 114 114 LYS 115 115 THR 116 116 GLY 117 117 LYS 118 118 PRO 119 119 ASP 120 120 TYR 121 121 VAL 122 122 THR 123 123 ASP 124 124 SER 125 125 ALA 126 126 ALA 127 127 SER 128 128 ALA 129 129 THR 130 130 ALA 131 131 TRP 132 132 SER 133 133 THR 134 134 GLY 135 135 VAL 136 136 LYS 137 137 THR 138 138 TYR 139 139 ASN 140 140 GLY 141 141 ALA 142 142 LEU 143 143 GLY 144 144 VAL 145 145 ASP 146 146 ILE 147 147 HIS 148 148 GLU 149 149 LYS 150 150 ASP 151 151 HIS 152 152 PRO 153 153 THR 154 154 ILE 155 155 LEU 156 156 GLU 157 157 MET 158 158 ALA 159 159 LYS 160 160 ALA 161 161 ALA 162 162 GLY 163 163 LEU 164 164 ALA 165 165 THR 166 166 GLY 167 167 ASN 168 168 VAL 169 169 SER 170 170 THR 171 171 ALA 172 172 GLU 173 173 LEU 174 174 GLN 175 175 ASP 176 176 ALA 177 177 THR 178 178 PRO 179 179 ALA 180 180 ALA 181 181 LEU 182 182 VAL 183 183 ALA 184 184 HIS 185 185 VAL 186 186 THR 187 187 SER 188 188 ARG 189 189 LYS 190 190 CYS 191 191 TYR 192 192 GLY 193 193 PRO 194 194 SER 195 195 ALA 196 196 THR 197 197 SER 198 198 GLU 199 199 LYS 200 200 CYS 201 201 PRO 202 202 GLY 203 203 ASN 204 204 ALA 205 205 LEU 206 206 GLU 207 207 LYS 208 208 GLY 209 209 GLY 210 210 LYS 211 211 GLY 212 212 SER 213 213 ILE 214 214 THR 215 215 GLU 216 216 GLN 217 217 LEU 218 218 LEU 219 219 ASN 220 220 ALA 221 221 ARG 222 222 ALA 223 223 ASP 224 224 VAL 225 225 THR 226 226 LEU 227 227 GLY 228 228 GLY 229 229 GLY 230 230 ALA 231 231 LYS 232 232 THR 233 233 PHE 234 234 ALA 235 235 GLU 236 236 THR 237 237 ALA 238 238 THR 239 239 ALA 240 240 GLY 241 241 GLU 242 242 TRP 243 243 GLN 244 244 GLY 245 245 LYS 246 246 THR 247 247 LEU 248 248 ARG 249 249 GLU 250 250 GLN 251 251 ALA 252 252 GLN 253 253 ALA 254 254 ARG 255 255 GLY 256 256 TYR 257 257 GLN 258 258 LEU 259 259 VAL 260 260 SER 261 261 ASP 262 262 ALA 263 263 ALA 264 264 SER 265 265 LEU 266 266 ASN 267 267 SER 268 268 VAL 269 269 THR 270 270 GLU 271 271 ALA 272 272 ASN 273 273 GLN 274 274 GLN 275 275 LYS 276 276 PRO 277 277 LEU 278 278 LEU 279 279 GLY 280 280 LEU 281 281 PHE 282 282 ALA 283 283 ASP 284 284 GLY 285 285 ASN 286 286 MET 287 287 PRO 288 288 VAL 289 289 ARG 290 290 TRP 291 291 LEU 292 292 GLY 293 293 PRO 294 294 LYS 295 295 ALA 296 296 THR 297 297 TYR 298 298 HIS 299 299 GLY 300 300 ASN 301 301 ILE 302 302 ASP 303 303 LYS 304 304 PRO 305 305 ALA 306 306 VAL 307 307 THR 308 308 CYS 309 309 THR 310 310 PRO 311 311 ASN 312 312 PRO 313 313 GLN 314 314 ARG 315 315 ASN 316 316 ASP 317 317 SER 318 318 VAL 319 319 PRO 320 320 THR 321 321 LEU 322 322 ALA 323 323 GLN 324 324 MET 325 325 THR 326 326 ASP 327 327 LYS 328 328 ALA 329 329 ILE 330 330 GLU 331 331 LEU 332 332 LEU 333 333 SER 334 334 LYS 335 335 ASN 336 336 GLU 337 337 LYS 338 338 GLY 339 339 PHE 340 340 PHE 341 341 LEU 342 342 GLN 343 343 VAL 344 344 GLU 345 345 GLY 346 346 ALA 347 347 SER 348 348 ILE 349 349 ASP 350 350 LYS 351 351 GLN 352 352 ASP 353 353 HIS 354 354 ALA 355 355 ALA 356 356 ASN 357 357 PRO 358 358 CYS 359 359 GLY 360 360 GLN 361 361 ILE 362 362 GLY 363 363 GLU 364 364 THR 365 365 VAL 366 366 ASP 367 367 LEU 368 368 ASP 369 369 GLU 370 370 ALA 371 371 VAL 372 372 GLN 373 373 ARG 374 374 ALA 375 375 LEU 376 376 GLU 377 377 PHE 378 378 ALA 379 379 LYS 380 380 LYS 381 381 GLU 382 382 GLY 383 383 ASN 384 384 THR 385 385 LEU 386 386 VAL 387 387 ILE 388 388 VAL 389 389 THR 390 390 ALA 391 391 ASP 392 392 HIS 393 393 ALA 394 394 HIS 395 395 ALA 396 396 SER 397 397 GLN 398 398 ILE 399 399 VAL 400 400 ALA 401 401 PRO 402 402 ASP 403 403 THR 404 404 LYS 405 405 ALA 406 406 PRO 407 407 GLY 408 408 LEU 409 409 THR 410 410 GLN 411 411 ALA 412 412 LEU 413 413 ASN 414 414 THR 415 415 LYS 416 416 ASP 417 417 GLY 418 418 ALA 419 419 VAL 420 420 MET 421 421 VAL 422 422 MET 423 423 SER 424 424 TYR 425 425 GLY 426 426 ASN 427 427 SER 428 428 GLU 429 429 GLU 430 430 ASP 431 431 SER 432 432 GLN 433 433 GLU 434 434 HIS 435 435 THR 436 436 GLY 437 437 SER 438 438 GLN 439 439 LEU 440 440 ARG 441 441 ILE 442 442 ALA 443 443 ALA 444 444 TYR 445 445 GLY 446 446 PRO 447 447 HIS 448 448 ALA 449 449 ALA 450 450 ASN 451 451 VAL 452 452 VAL 453 453 GLY 454 454 LEU 455 455 THR 456 456 ASP 457 457 GLN 458 458 THR 459 459 ASP 460 460 LEU 461 461 PHE 462 462 TYR 463 463 THR 464 464 MET 465 465 LYS 466 466 ALA 467 467 ALA 468 468 LEU 469 469 GLY 470 470 LEU 471 471 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 $entity_1 enterobacteria 83334 Bacteria . Escherichia coli . 'secB, Z5036, ECs4487' $entity_2 enterobacteria 83333 Bacteria . Escherichia coli K12 'phoA, b0383, JW0374' 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' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 300 uM [U-100% 13C; U-100% 15N] E.coli Chaperone SecB, 300 uM [U-100% 13C; U-100% 15N] E. Coli Alkaline Phosphatase (PhoA), 150 mM potassium chloride, 50 mM sodium phosphate, 50 mM potassium phosphate, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM '[U-100% 13C; U-100% 15N]' $entity_1 300 uM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 150 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 150 . mM pH 7 . pH pressure 1 . atm temperature 301 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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, chain 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 HE H 2.041 0.02 1 2 1 1 MET CE C 16.906 0.2 1 3 2 2 SER H H 8.028 0.02 1 4 2 2 SER C C 174.344 0.2 1 5 2 2 SER CA C 61.744 0.2 1 6 2 2 SER CB C 69.087 0.2 1 7 2 2 SER N N 115.131 0.2 1 8 9 9 MET H H 7.914 0.02 1 9 9 9 MET HE H 1.923 0.02 1 10 9 9 MET C C 175.590 0.2 1 11 9 9 MET CA C 55.302 0.2 1 12 9 9 MET CB C 32.407 0.2 1 13 9 9 MET CE C 17.165 0.2 1 14 9 9 MET N N 120.990 0.2 1 15 10 10 THR H H 8.569 0.02 1 16 10 10 THR HG2 H 1.184 0.02 1 17 10 10 THR C C 172.598 0.2 1 18 10 10 THR CA C 61.731 0.2 1 19 10 10 THR CB C 69.596 0.2 1 20 10 10 THR CG2 C 21.586 0.2 1 21 10 10 THR N N 120.846 0.2 1 22 11 11 PHE H H 8.405 0.02 1 23 11 11 PHE HD1 H 6.617 0.02 3 24 11 11 PHE HE1 H 7.451 0.02 3 25 11 11 PHE HZ H 7.064 0.02 1 26 11 11 PHE C C 174.620 0.2 1 27 11 11 PHE CA C 57.247 0.2 1 28 11 11 PHE CB C 44.270 0.2 1 29 11 11 PHE CD1 C 130.272 0.2 3 30 11 11 PHE CE1 C 131.752 0.2 3 31 11 11 PHE N N 127.497 0.2 1 32 12 12 GLN H H 8.613 0.02 1 33 12 12 GLN C C 174.426 0.2 1 34 12 12 GLN CA C 53.987 0.2 1 35 12 12 GLN CB C 31.898 0.2 1 36 12 12 GLN N N 126.720 0.2 1 37 13 13 ILE H H 8.846 0.02 1 38 13 13 ILE HD1 H 1.084 0.02 1 39 13 13 ILE C C 175.705 0.2 1 40 13 13 ILE CA C 61.288 0.2 1 41 13 13 ILE CB C 33.426 0.2 1 42 13 13 ILE CD1 C 14.307 0.2 1 43 13 13 ILE N N 125.698 0.2 1 44 14 14 GLN H H 8.718 0.02 1 45 14 14 GLN C C 176.077 0.2 1 46 14 14 GLN CA C 56.993 0.2 1 47 14 14 GLN CB C 27.676 0.2 1 48 14 14 GLN N N 126.919 0.2 1 49 15 15 ARG H H 7.043 0.02 1 50 15 15 ARG C C 173.340 0.2 1 51 15 15 ARG CA C 55.988 0.2 1 52 15 15 ARG CB C 33.426 0.2 1 53 15 15 ARG N N 118.644 0.2 1 54 16 16 ILE H H 8.267 0.02 1 55 16 16 ILE HD1 H 0.302 0.02 1 56 16 16 ILE C C 174.636 0.2 1 57 16 16 ILE CA C 60.243 0.2 1 58 16 16 ILE CB C 39.321 0.2 1 59 16 16 ILE CD1 C 12.159 0.2 1 60 16 16 ILE N N 126.029 0.2 1 61 17 17 TYR H H 7.776 0.02 1 62 17 17 TYR HD1 H 7.143 0.02 3 63 17 17 TYR HE1 H 6.809 0.02 3 64 17 17 TYR C C 172.903 0.2 1 65 17 17 TYR CA C 54.864 0.2 1 66 17 17 TYR CB C 40.385 0.2 1 67 17 17 TYR CD1 C 131.940 0.2 3 68 17 17 TYR CE1 C 118.242 0.2 3 69 17 17 TYR N N 121.637 0.2 1 70 18 18 THR H H 8.391 0.02 1 71 18 18 THR HG2 H 1.241 0.02 1 72 18 18 THR C C 174.179 0.2 1 73 18 18 THR CA C 61.740 0.2 1 74 18 18 THR CB C 68.359 0.2 1 75 18 18 THR CG2 C 21.539 0.2 1 76 18 18 THR N N 118.178 0.2 1 77 19 19 LYS H H 8.529 0.02 1 78 19 19 LYS C C 174.781 0.2 1 79 19 19 LYS CA C 57.498 0.2 1 80 19 19 LYS CB C 31.825 0.2 1 81 19 19 LYS N N 123.939 0.2 1 82 20 20 ASP H H 7.356 0.02 1 83 20 20 ASP C C 174.699 0.2 1 84 20 20 ASP CA C 53.494 0.2 1 85 20 20 ASP CB C 44.124 0.2 1 86 20 20 ASP N N 115.929 0.2 1 87 21 21 ILE H H 9.488 0.02 1 88 21 21 ILE HD1 H 0.784 0.02 1 89 21 21 ILE C C 175.295 0.2 1 90 21 21 ILE CA C 60.993 0.2 1 91 21 21 ILE CB C 42.523 0.2 1 92 21 21 ILE CD1 C 14.908 0.2 1 93 21 21 ILE N N 124.158 0.2 1 94 22 22 SER H H 9.257 0.02 1 95 22 22 SER C C 172.823 0.2 1 96 22 22 SER CA C 57.255 0.2 1 97 22 22 SER CB C 64.793 0.2 1 98 22 22 SER N N 121.862 0.2 1 99 23 23 PHE H H 9.269 0.02 1 100 23 23 PHE HD1 H 6.087 0.02 3 101 23 23 PHE HE1 H 6.985 0.02 3 102 23 23 PHE C C 173.644 0.2 1 103 23 23 PHE CA C 56.748 0.2 1 104 23 23 PHE CB C 42.523 0.2 1 105 23 23 PHE CD1 C 132.374 0.2 3 106 23 23 PHE CE1 C 130.257 0.2 3 107 23 23 PHE N N 127.331 0.2 1 108 24 24 GLU H H 8.099 0.02 1 109 24 24 GLU C C 173.632 0.2 1 110 24 24 GLU CA C 54.994 0.2 1 111 24 24 GLU CB C 32.989 0.2 1 112 24 24 GLU N N 125.441 0.2 1 113 25 25 ALA H H 7.931 0.02 1 114 25 25 ALA HB H 1.698 0.02 1 115 25 25 ALA C C 175.316 0.2 1 116 25 25 ALA CA C 48.487 0.2 1 117 25 25 ALA CB C 19.829 0.2 1 118 25 25 ALA N N 125.875 0.2 1 119 26 26 PRO C C 177.381 0.2 1 120 27 27 ASN H H 9.029 0.02 1 121 27 27 ASN C C 175.785 0.2 1 122 27 27 ASN CA C 51.499 0.2 1 123 27 27 ASN CB C 38.302 0.2 1 124 27 27 ASN N N 114.703 0.2 1 125 28 28 ALA H H 7.409 0.02 1 126 28 28 ALA HB H 1.139 0.02 1 127 28 28 ALA C C 175.575 0.2 1 128 28 28 ALA CA C 50.744 0.2 1 129 28 28 ALA CB C 17.998 0.2 1 130 28 28 ALA N N 124.439 0.2 1 131 29 29 PRO C C 174.506 0.2 1 132 29 29 PRO CA C 60.254 0.2 1 133 29 29 PRO CB C 30.988 0.2 1 134 30 30 HIS H H 7.632 0.02 1 135 30 30 HIS HD2 H 6.993 0.02 1 136 30 30 HIS HE1 H 7.826 0.02 1 137 30 30 HIS C C 178.802 0.2 1 138 30 30 HIS CA C 59.161 0.2 1 139 30 30 HIS CB C 28.939 0.2 1 140 30 30 HIS CD2 C 119.863 0.2 1 141 30 30 HIS CE1 C 138.452 0.2 1 142 30 30 HIS N N 118.421 0.2 1 143 31 31 VAL H H 7.660 0.02 1 144 31 31 VAL HG1 H 0.465 0.02 2 145 31 31 VAL HG2 H 1.133 0.02 2 146 31 31 VAL C C 175.801 0.2 1 147 31 31 VAL CA C 62.771 0.2 1 148 31 31 VAL CB C 30.806 0.2 1 149 31 31 VAL CG1 C 19.189 0.2 2 150 31 31 VAL CG2 C 21.720 0.2 2 151 31 31 VAL N N 116.392 0.2 1 152 32 32 PHE H H 6.942 0.02 1 153 32 32 PHE HD1 H 6.799 0.02 3 154 32 32 PHE HE1 H 7.017 0.02 3 155 32 32 PHE C C 176.643 0.2 1 156 32 32 PHE CA C 56.740 0.2 1 157 32 32 PHE CB C 36.119 0.2 1 158 32 32 PHE CD1 C 132.954 0.2 3 159 32 32 PHE CE1 C 130.974 0.2 3 160 32 32 PHE N N 119.499 0.2 1 161 33 33 GLN H H 7.405 0.02 1 162 33 33 GLN C C 176.270 0.2 1 163 33 33 GLN CA C 55.394 0.2 1 164 33 33 GLN CB C 28.259 0.2 1 165 33 33 GLN N N 114.878 0.2 1 166 34 34 LYS H H 7.090 0.02 1 167 34 34 LYS C C 176.513 0.2 1 168 34 34 LYS CA C 55.213 0.2 1 169 34 34 LYS CB C 32.407 0.2 1 170 34 34 LYS N N 119.111 0.2 1 171 35 35 ASP H H 8.409 0.02 1 172 35 35 ASP C C 176.676 0.2 1 173 35 35 ASP CA C 54.501 0.2 1 174 35 35 ASP CB C 39.903 0.2 1 175 35 35 ASP N N 122.851 0.2 1 176 36 36 TRP H H 8.661 0.02 1 177 36 36 TRP HD1 H 7.267 0.02 1 178 36 36 TRP HE1 H 10.355 0.02 1 179 36 36 TRP HE3 H 7.982 0.02 1 180 36 36 TRP HZ3 H 6.957 0.02 1 181 36 36 TRP C C 173.810 0.2 1 182 36 36 TRP CA C 56.227 0.2 1 183 36 36 TRP CB C 27.676 0.2 1 184 36 36 TRP CD1 C 128.561 0.2 1 185 36 36 TRP CE3 C 122.168 0.2 1 186 36 36 TRP CZ3 C 121.039 0.2 1 187 36 36 TRP N N 126.402 0.2 1 188 36 36 TRP NE1 N 131.154 0.2 1 189 37 37 GLN H H 6.275 0.02 1 190 37 37 GLN C C 172.239 0.2 1 191 37 37 GLN CA C 52.252 0.2 1 192 37 37 GLN CB C 27.895 0.2 1 193 37 37 GLN N N 125.936 0.2 1 194 38 38 PRO C C 176.823 0.2 1 195 38 38 PRO CA C 62.411 0.2 1 196 38 38 PRO CB C 30.880 0.2 1 197 39 39 GLU H H 8.399 0.02 1 198 39 39 GLU C C 175.704 0.2 1 199 39 39 GLU CA C 55.247 0.2 1 200 39 39 GLU CB C 30.296 0.2 1 201 39 39 GLU N N 121.098 0.2 1 202 40 40 VAL H H 8.586 0.02 1 203 40 40 VAL HG1 H 0.737 0.02 2 204 40 40 VAL HG2 H 0.779 0.02 2 205 40 40 VAL C C 174.960 0.2 1 206 40 40 VAL CA C 61.241 0.2 1 207 40 40 VAL CB C 32.407 0.2 1 208 40 40 VAL CG1 C 20.787 0.2 2 209 40 40 VAL CG2 C 21.310 0.2 2 210 40 40 VAL N N 127.833 0.2 1 211 41 41 LYS H H 8.788 0.02 1 212 41 41 LYS C C 174.150 0.2 1 213 41 41 LYS CA C 54.497 0.2 1 214 41 41 LYS CB C 33.499 0.2 1 215 41 41 LYS N N 129.949 0.2 1 216 42 42 LEU H H 8.453 0.02 1 217 42 42 LEU HD1 H 0.941 0.02 2 218 42 42 LEU HD2 H 0.994 0.02 2 219 42 42 LEU C C 175.050 0.2 1 220 42 42 LEU CA C 53.245 0.2 1 221 42 42 LEU CB C 44.634 0.2 1 222 42 42 LEU CD1 C 26.197 0.2 2 223 42 42 LEU CD2 C 25.762 0.2 2 224 42 42 LEU N N 127.698 0.2 1 225 43 43 ASP H H 9.126 0.02 1 226 43 43 ASP C C 173.761 0.2 1 227 43 43 ASP CA C 53.243 0.2 1 228 43 43 ASP CB C 44.529 0.2 1 229 43 43 ASP N N 126.654 0.2 1 230 44 44 LEU H H 8.271 0.02 1 231 44 44 LEU HD1 H 0.824 0.02 2 232 44 44 LEU HD2 H 1.007 0.02 2 233 44 44 LEU C C 175.799 0.2 1 234 44 44 LEU CA C 53.699 0.2 1 235 44 44 LEU CB C 45.143 0.2 1 236 44 44 LEU CD1 C 26.601 0.2 2 237 44 44 LEU CD2 C 26.759 0.2 2 238 44 44 LEU N N 122.340 0.2 1 239 45 45 ASP H H 8.872 0.02 1 240 45 45 ASP C C 174.101 0.2 1 241 45 45 ASP CA C 53.485 0.2 1 242 45 45 ASP CB C 44.124 0.2 1 243 45 45 ASP N N 120.255 0.2 1 244 46 46 THR H H 8.336 0.02 1 245 46 46 THR HG2 H 1.122 0.02 1 246 46 46 THR C C 172.174 0.2 1 247 46 46 THR CA C 59.490 0.2 1 248 46 46 THR CB C 70.615 0.2 1 249 46 46 THR CG2 C 20.838 0.2 1 250 46 46 THR N N 114.580 0.2 1 251 47 47 ALA H H 8.457 0.02 1 252 47 47 ALA HB H 1.434 0.02 1 253 47 47 ALA C C 175.365 0.2 1 254 47 47 ALA CA C 50.985 0.2 1 255 47 47 ALA CB C 22.904 0.2 1 256 47 47 ALA N N 126.382 0.2 1 257 48 48 SER H H 8.397 0.02 1 258 48 48 SER C C 173.923 0.2 1 259 48 48 SER CA C 56.739 0.2 1 260 48 48 SER CB C 66.904 0.2 1 261 48 48 SER N N 113.325 0.2 1 262 49 49 SER H H 9.134 0.02 1 263 49 49 SER C C 172.530 0.2 1 264 49 49 SER CA C 57.409 0.2 1 265 49 49 SER CB C 65.302 0.2 1 266 49 49 SER N N 114.664 0.2 1 267 50 50 GLN H H 8.832 0.02 1 268 50 50 GLN C C 175.591 0.2 1 269 50 50 GLN CA C 55.746 0.2 1 270 50 50 GLN CB C 28.113 0.2 1 271 50 50 GLN N N 125.426 0.2 1 272 51 51 LEU H H 8.773 0.02 1 273 51 51 LEU HD1 H 0.754 0.02 2 274 51 51 LEU HD2 H 0.718 0.02 2 275 51 51 LEU C C 176.579 0.2 1 276 51 51 LEU CA C 55.247 0.2 1 277 51 51 LEU CB C 41.941 0.2 1 278 51 51 LEU CD1 C 26.174 0.2 2 279 51 51 LEU CD2 C 22.304 0.2 2 280 51 51 LEU N N 128.962 0.2 1 281 52 52 ALA H H 8.067 0.02 1 282 52 52 ALA HB H 1.344 0.02 1 283 52 52 ALA C C 176.417 0.2 1 284 52 52 ALA CA C 50.471 0.2 1 285 52 52 ALA CB C 20.370 0.2 1 286 52 52 ALA N N 120.947 0.2 1 287 53 53 ASP H H 8.330 0.02 1 288 53 53 ASP C C 175.882 0.2 1 289 53 53 ASP CA C 57.247 0.2 1 290 53 53 ASP CB C 39.321 0.2 1 291 53 53 ASP N N 120.003 0.2 1 292 54 54 ASP H H 8.272 0.02 1 293 54 54 ASP C C 174.295 0.2 1 294 54 54 ASP CA C 53.999 0.2 1 295 54 54 ASP CB C 39.539 0.2 1 296 54 54 ASP N N 115.748 0.2 1 297 55 55 VAL H H 7.164 0.02 1 298 55 55 VAL HG1 H 0.757 0.02 2 299 55 55 VAL HG2 H 0.847 0.02 2 300 55 55 VAL C C 174.522 0.2 1 301 55 55 VAL CA C 61.742 0.2 1 302 55 55 VAL CB C 33.426 0.2 1 303 55 55 VAL CG1 C 22.446 0.2 2 304 55 55 VAL CG2 C 20.909 0.2 2 305 55 55 VAL N N 118.775 0.2 1 306 56 56 TYR H H 9.182 0.02 1 307 56 56 TYR HD1 H 7.036 0.02 3 308 56 56 TYR HE1 H 6.916 0.02 3 309 56 56 TYR C C 174.975 0.2 1 310 56 56 TYR CA C 56.497 0.2 1 311 56 56 TYR CB C 41.504 0.2 1 312 56 56 TYR CD1 C 131.918 0.2 3 313 56 56 TYR CE1 C 117.545 0.2 3 314 56 56 TYR N N 126.262 0.2 1 315 57 57 GLU H H 9.275 0.02 1 316 57 57 GLU C C 176.270 0.2 1 317 57 57 GLU CA C 53.996 0.2 1 318 57 57 GLU CB C 31.388 0.2 1 319 57 57 GLU N N 123.036 0.2 1 320 58 58 VAL H H 9.062 0.02 1 321 58 58 VAL HG1 H 0.806 0.02 2 322 58 58 VAL HG2 H 1.002 0.02 2 323 58 58 VAL C C 173.712 0.2 1 324 58 58 VAL CA C 60.985 0.2 1 325 58 58 VAL CB C 33.499 0.2 1 326 58 58 VAL CG1 C 20.514 0.2 2 327 58 58 VAL CG2 C 21.936 0.2 2 328 58 58 VAL N N 128.561 0.2 1 329 59 59 VAL H H 8.911 0.02 1 330 59 59 VAL HG1 H 0.833 0.02 2 331 59 59 VAL HG2 H 0.750 0.02 2 332 59 59 VAL C C 174.538 0.2 1 333 59 59 VAL CA C 59.772 0.2 1 334 59 59 VAL CB C 33.513 0.2 1 335 59 59 VAL CG1 C 21.289 0.2 2 336 59 59 VAL CG2 C 21.526 0.2 2 337 59 59 VAL N N 124.198 0.2 1 338 60 60 LEU H H 9.166 0.02 1 339 60 60 LEU HD1 H 1.103 0.02 2 340 60 60 LEU HD2 H 1.051 0.02 2 341 60 60 LEU C C 173.340 0.2 1 342 60 60 LEU CA C 52.743 0.2 1 343 60 60 LEU CB C 44.634 0.2 1 344 60 60 LEU CD1 C 23.784 0.2 2 345 60 60 LEU CD2 C 27.492 0.2 2 346 60 60 LEU N N 129.781 0.2 1 347 61 61 ARG H H 9.361 0.02 1 348 61 61 ARG C C 175.105 0.2 1 349 61 61 ARG CA C 53.997 0.2 1 350 61 61 ARG CB C 30.806 0.2 1 351 61 61 ARG N N 131.280 0.2 1 352 62 62 VAL H H 8.851 0.02 1 353 62 62 VAL HG1 H 1.016 0.02 2 354 62 62 VAL HG2 H 0.946 0.02 2 355 62 62 VAL C C 174.246 0.2 1 356 62 62 VAL CA C 60.734 0.2 1 357 62 62 VAL CB C 33.426 0.2 1 358 62 62 VAL CG1 C 20.791 0.2 2 359 62 62 VAL CG2 C 22.091 0.2 2 360 62 62 VAL N N 126.163 0.2 1 361 63 63 THR H H 9.030 0.02 1 362 63 63 THR HG2 H 1.306 0.02 1 363 63 63 THR C C 173.777 0.2 1 364 63 63 THR CA C 61.734 0.2 1 365 63 63 THR CB C 69.596 0.2 1 366 63 63 THR CG2 C 21.561 0.2 1 367 63 63 THR N N 124.158 0.2 1 368 64 64 VAL H H 9.600 0.02 1 369 64 64 VAL HG1 H 0.975 0.02 2 370 64 64 VAL HG2 H 1.055 0.02 2 371 64 64 VAL C C 174.505 0.2 1 372 64 64 VAL CA C 59.993 0.2 1 373 64 64 VAL CB C 34.081 0.2 1 374 64 64 VAL CG1 C 21.814 0.2 2 375 64 64 VAL CG2 C 22.273 0.2 2 376 64 64 VAL N N 127.065 0.2 1 377 65 65 THR H H 8.585 0.02 1 378 65 65 THR HG2 H 1.091 0.02 1 379 65 65 THR C C 172.886 0.2 1 380 65 65 THR CA C 60.979 0.2 1 381 65 65 THR CB C 69.596 0.2 1 382 65 65 THR CG2 C 20.964 0.2 1 383 65 65 THR N N 122.101 0.2 1 384 66 66 ALA H H 8.334 0.02 1 385 66 66 ALA HB H 0.180 0.02 1 386 66 66 ALA C C 175.931 0.2 1 387 66 66 ALA CA C 48.993 0.2 1 388 66 66 ALA CB C 19.631 0.2 1 389 66 66 ALA N N 128.761 0.2 1 390 67 67 SER H H 8.777 0.02 1 391 67 67 SER C C 172.190 0.2 1 392 67 67 SER CA C 57.236 0.2 1 393 67 67 SER CB C 64.793 0.2 1 394 67 67 SER N N 119.611 0.2 1 395 68 68 LEU H H 8.597 0.02 1 396 68 68 LEU HD1 H 0.479 0.02 2 397 68 68 LEU HD2 H 0.971 0.02 2 398 68 68 LEU C C 176.643 0.2 1 399 68 68 LEU CA C 52.243 0.2 1 400 68 68 LEU CB C 40.995 0.2 1 401 68 68 LEU CD1 C 22.636 0.2 2 402 68 68 LEU CD2 C 26.001 0.2 2 403 68 68 LEU N N 124.616 0.2 1 404 69 69 GLY H H 8.653 0.02 1 405 69 69 GLY C C 175.007 0.2 1 406 69 69 GLY CA C 46.498 0.2 1 407 69 69 GLY N N 116.100 0.2 1 408 70 70 GLU H H 8.821 0.02 1 409 70 70 GLU C C 175.939 0.2 1 410 70 70 GLU CA C 56.225 0.2 1 411 70 70 GLU CB C 28.360 0.2 1 412 70 70 GLU N N 125.299 0.2 1 413 71 71 GLU H H 7.585 0.02 1 414 71 71 GLU C C 175.688 0.2 1 415 71 71 GLU CA C 54.478 0.2 1 416 71 71 GLU CB C 31.024 0.2 1 417 71 71 GLU N N 120.136 0.2 1 418 72 72 THR H H 8.637 0.02 1 419 72 72 THR HG2 H 0.907 0.02 1 420 72 72 THR C C 174.149 0.2 1 421 72 72 THR CA C 63.993 0.2 1 422 72 72 THR CB C 68.068 0.2 1 423 72 72 THR CG2 C 21.929 0.2 1 424 72 72 THR N N 122.499 0.2 1 425 73 73 ALA H H 9.516 0.02 1 426 73 73 ALA HB H 1.225 0.02 1 427 73 73 ALA C C 176.472 0.2 1 428 73 73 ALA CA C 52.995 0.2 1 429 73 73 ALA CB C 18.923 0.2 1 430 73 73 ALA N N 132.896 0.2 1 431 74 74 PHE H H 7.232 0.02 1 432 74 74 PHE HD1 H 7.342 0.02 3 433 74 74 PHE HE1 H 7.283 0.02 3 434 74 74 PHE C C 171.818 0.2 1 435 74 74 PHE CA C 56.243 0.2 1 436 74 74 PHE CB C 39.903 0.2 1 437 74 74 PHE CD1 C 132.110 0.2 3 438 74 74 PHE CE1 C 131.283 0.2 3 439 74 74 PHE N N 108.604 0.2 1 440 75 75 LEU H H 8.369 0.02 1 441 75 75 LEU HD1 H 0.822 0.02 2 442 75 75 LEU C C 175.891 0.2 1 443 75 75 LEU CA C 53.770 0.2 1 444 75 75 LEU CB C 44.197 0.2 1 445 75 75 LEU CD1 C 25.172 0.2 2 446 75 75 LEU N N 121.098 0.2 1 447 76 76 CYS H H 9.481 0.02 1 448 76 76 CYS C C 171.818 0.2 1 449 76 76 CYS CA C 56.496 0.2 1 450 76 76 CYS CB C 29.714 0.2 1 451 76 76 CYS N N 123.441 0.2 1 452 77 77 GLU H H 9.516 0.02 1 453 77 77 GLU C C 174.280 0.2 1 454 77 77 GLU CA C 54.684 0.2 1 455 77 77 GLU CB C 32.910 0.2 1 456 77 77 GLU N N 128.770 0.2 1 457 78 78 VAL H H 8.884 0.02 1 458 78 78 VAL HG1 H 1.109 0.02 2 459 78 78 VAL HG2 H 1.127 0.02 2 460 78 78 VAL C C 173.939 0.2 1 461 78 78 VAL CA C 59.243 0.2 1 462 78 78 VAL CB C 33.499 0.2 1 463 78 78 VAL CG1 C 20.643 0.2 2 464 78 78 VAL CG2 C 22.591 0.2 2 465 78 78 VAL N N 123.731 0.2 1 466 79 79 GLN H H 8.762 0.02 1 467 79 79 GLN C C 173.939 0.2 1 468 79 79 GLN CA C 54.781 0.2 1 469 79 79 GLN CB C 28.550 0.2 1 470 79 79 GLN N N 124.576 0.2 1 471 80 80 GLN H H 9.435 0.02 1 472 80 80 GLN C C 173.210 0.2 1 473 80 80 GLN CA C 53.738 0.2 1 474 80 80 GLN CB C 29.205 0.2 1 475 80 80 GLN N N 128.844 0.2 1 476 81 81 GLY H H 9.332 0.02 1 477 81 81 GLY C C 172.061 0.2 1 478 81 81 GLY CA C 42.994 0.2 1 479 81 81 GLY N N 116.406 0.2 1 480 82 82 GLY H H 8.394 0.02 1 481 82 82 GLY C C 171.764 0.2 1 482 82 82 GLY CA C 45.026 0.2 1 483 82 82 GLY N N 105.876 0.2 1 484 83 83 ILE H H 8.194 0.02 1 485 83 83 ILE HD1 H 0.736 0.02 1 486 83 83 ILE C C 177.999 0.2 1 487 83 83 ILE CA C 59.239 0.2 1 488 83 83 ILE CB C 38.811 0.2 1 489 83 83 ILE CD1 C 13.139 0.2 1 490 83 83 ILE N N 121.028 0.2 1 491 84 84 PHE H H 9.314 0.02 1 492 84 84 PHE HD1 H 6.957 0.02 3 493 84 84 PHE HE1 H 7.201 0.02 3 494 84 84 PHE C C 175.007 0.2 1 495 84 84 PHE CA C 55.000 0.2 1 496 84 84 PHE CB C 41.431 0.2 1 497 84 84 PHE CD1 C 132.140 0.2 3 498 84 84 PHE CE1 C 130.699 0.2 3 499 84 84 PHE N N 125.360 0.2 1 500 85 85 SER H H 8.969 0.02 1 501 85 85 SER C C 174.149 0.2 1 502 85 85 SER CA C 56.669 0.2 1 503 85 85 SER CB C 62.755 0.2 1 504 85 85 SER N N 120.826 0.2 1 505 86 86 ILE H H 8.425 0.02 1 506 86 86 ILE HD1 H 0.594 0.02 1 507 86 86 ILE C C 174.037 0.2 1 508 86 86 ILE CA C 60.475 0.2 1 509 86 86 ILE CB C 40.922 0.2 1 510 86 86 ILE CD1 C 14.457 0.2 1 511 86 86 ILE N N 125.857 0.2 1 512 87 87 ALA H H 8.643 0.02 1 513 87 87 ALA HB H 1.426 0.02 1 514 87 87 ALA C C 177.065 0.2 1 515 87 87 ALA CA C 50.756 0.2 1 516 87 87 ALA CB C 22.377 0.2 1 517 87 87 ALA N N 127.905 0.2 1 518 88 88 GLY H H 8.632 0.02 1 519 88 88 GLY C C 173.696 0.2 1 520 88 88 GLY CA C 45.490 0.2 1 521 88 88 GLY N N 107.644 0.2 1 522 89 89 ILE H H 7.213 0.02 1 523 89 89 ILE HD1 H 0.670 0.02 1 524 89 89 ILE C C 174.538 0.2 1 525 89 89 ILE CA C 58.758 0.2 1 526 89 89 ILE CB C 39.830 0.2 1 527 89 89 ILE CD1 C 13.085 0.2 1 528 89 89 ILE N N 114.802 0.2 1 529 90 90 GLU H H 8.521 0.02 1 530 90 90 GLU C C 177.211 0.2 1 531 90 90 GLU CA C 54.994 0.2 1 532 90 90 GLU CB C 31.388 0.2 1 533 90 90 GLU N N 122.432 0.2 1 534 91 91 GLY H H 8.632 0.02 1 535 91 91 GLY C C 176.870 0.2 1 536 91 91 GLY CA C 46.738 0.2 1 537 91 91 GLY N N 109.129 0.2 1 538 92 92 THR HG2 H 1.396 0.02 1 539 92 92 THR C C 176.622 0.2 1 540 92 92 THR CB C 68.468 0.2 1 541 92 92 THR CG2 C 22.215 0.2 1 542 93 93 GLN H H 8.070 0.02 1 543 93 93 GLN C C 178.586 0.2 1 544 93 93 GLN CA C 57.993 0.2 1 545 93 93 GLN CB C 27.604 0.2 1 546 93 93 GLN N N 121.709 0.2 1 547 94 94 MET H H 7.092 0.02 1 548 94 94 MET HE H 1.710 0.02 1 549 94 94 MET C C 176.983 0.2 1 550 94 94 MET CA C 56.743 0.2 1 551 94 94 MET CB C 30.198 0.2 1 552 94 94 MET CE C 17.637 0.2 1 553 94 94 MET N N 121.740 0.2 1 554 95 95 ALA H H 7.908 0.02 1 555 95 95 ALA HB H 1.639 0.02 1 556 95 95 ALA C C 180.545 0.2 1 557 95 95 ALA CA C 54.970 0.2 1 558 95 95 ALA CB C 17.480 0.2 1 559 95 95 ALA N N 122.253 0.2 1 560 96 96 HIS H H 7.965 0.02 1 561 96 96 HIS HD2 H 7.029 0.02 1 562 96 96 HIS HE1 H 7.763 0.02 1 563 96 96 HIS C C 177.453 0.2 1 564 96 96 HIS CA C 59.258 0.2 1 565 96 96 HIS CB C 29.714 0.2 1 566 96 96 HIS CD2 C 119.253 0.2 1 567 96 96 HIS CE1 C 139.384 0.2 1 568 96 96 HIS N N 119.273 0.2 1 569 97 97 CYS H H 7.957 0.02 1 570 97 97 CYS C C 176.044 0.2 1 571 97 97 CYS CA C 61.722 0.2 1 572 97 97 CYS CB C 26.003 0.2 1 573 97 97 CYS N N 124.251 0.2 1 574 98 98 LEU H H 8.068 0.02 1 575 98 98 LEU HD1 H 0.274 0.02 2 576 98 98 LEU HD2 H 0.515 0.02 2 577 98 98 LEU C C 172.886 0.2 1 578 98 98 LEU CA C 57.248 0.2 1 579 98 98 LEU CB C 41.286 0.2 1 580 98 98 LEU CD1 C 21.630 0.2 2 581 98 98 LEU CD2 C 25.042 0.2 2 582 98 98 LEU N N 117.521 0.2 1 583 99 99 GLY H H 7.762 0.02 1 584 99 99 GLY C C 172.886 0.2 1 585 99 99 GLY CA C 44.752 0.2 1 586 99 99 GLY N N 102.530 0.2 1 587 100 100 ALA H H 7.535 0.02 1 588 100 100 ALA HB H 0.798 0.02 1 589 100 100 ALA C C 176.044 0.2 1 590 100 100 ALA CA C 52.991 0.2 1 591 100 100 ALA CB C 20.200 0.2 1 592 100 100 ALA N N 120.517 0.2 1 593 101 101 TYR H H 7.203 0.02 1 594 101 101 TYR HD1 H 7.245 0.02 3 595 101 101 TYR HE1 H 6.426 0.02 3 596 101 101 TYR C C 180.157 0.2 1 597 101 101 TYR CA C 61.534 0.2 1 598 101 101 TYR CD1 C 131.579 0.2 3 599 101 101 TYR CE1 C 116.427 0.2 3 600 101 101 TYR N N 122.129 0.2 1 601 102 102 CYS H H 8.639 0.02 1 602 102 102 CYS C C 175.364 0.2 1 603 102 102 CYS CA C 64.993 0.2 1 604 102 102 CYS CB C 25.275 0.2 1 605 102 102 CYS N N 114.905 0.2 1 606 105 105 ILE H H 7.291 0.02 1 607 105 105 ILE HD1 H 0.762 0.02 1 608 105 105 ILE C C 177.825 0.2 1 609 105 105 ILE CA C 62.773 0.2 1 610 105 105 ILE CB C 36.628 0.2 1 611 105 105 ILE CD1 C 13.717 0.2 1 612 105 105 ILE N N 119.950 0.2 1 613 106 106 LEU HD1 H 0.708 0.02 2 614 106 106 LEU HD2 H 0.827 0.02 2 615 106 106 LEU CD1 C 22.581 0.2 2 616 106 106 LEU CD2 C 25.525 0.2 2 617 107 107 PHE HD1 H 7.173 0.02 3 618 107 107 PHE HE1 H 7.296 0.02 3 619 107 107 PHE CD1 C 131.967 0.2 3 620 107 107 PHE CE1 C 130.589 0.2 3 621 108 108 PRO CA C 66.012 0.2 1 622 109 109 TYR H H 7.153 0.02 1 623 109 109 TYR HD1 H 7.351 0.02 3 624 109 109 TYR HE1 H 5.983 0.02 3 625 109 109 TYR C C 177.712 0.2 1 626 109 109 TYR CA C 60.746 0.2 1 627 109 109 TYR CB C 36.191 0.2 1 628 109 109 TYR CD1 C 131.316 0.2 3 629 109 109 TYR CE1 C 118.521 0.2 3 630 109 109 TYR N N 116.895 0.2 1 631 110 110 ALA H H 7.565 0.02 1 632 110 110 ALA HB H 1.292 0.02 1 633 110 110 ALA C C 178.559 0.2 1 634 110 110 ALA CA C 54.727 0.2 1 635 110 110 ALA CB C 17.568 0.2 1 636 110 110 ALA N N 124.632 0.2 1 637 111 111 ARG H H 8.557 0.02 1 638 111 111 ARG C C 178.035 0.2 1 639 111 111 ARG CA C 59.479 0.2 1 640 111 111 ARG CB C 28.186 0.2 1 641 111 111 ARG N N 116.117 0.2 1 642 112 112 GLU H H 6.702 0.02 1 643 112 112 GLU C C 176.335 0.2 1 644 112 112 GLU CA C 58.992 0.2 1 645 112 112 GLU CB C 28.113 0.2 1 646 112 112 GLU N N 118.859 0.2 1 647 113 113 CYS H H 7.233 0.02 1 648 113 113 CYS C C 176.798 0.2 1 649 113 113 CYS CA C 62.294 0.2 1 650 113 113 CYS CB C 26.003 0.2 1 651 113 113 CYS N N 120.275 0.2 1 652 114 114 ILE H H 7.890 0.02 1 653 114 114 ILE HD1 H 0.748 0.02 1 654 114 114 ILE C C 177.339 0.2 1 655 114 114 ILE CA C 64.732 0.2 1 656 114 114 ILE CB C 35.609 0.2 1 657 114 114 ILE CD1 C 12.614 0.2 1 658 114 114 ILE N N 119.107 0.2 1 659 115 115 THR H H 8.646 0.02 1 660 115 115 THR C C 177.069 0.2 1 661 115 115 THR CA C 66.500 0.2 1 662 115 115 THR CB C 68.432 0.2 1 663 115 115 THR N N 116.344 0.2 1 664 116 116 SER H H 8.356 0.02 1 665 116 116 SER C C 176.258 0.2 1 666 116 116 SER CA C 60.487 0.2 1 667 116 116 SER CB C 62.537 0.2 1 668 116 116 SER N N 117.693 0.2 1 669 117 117 MET H H 7.902 0.02 1 670 117 117 MET HE H 1.981 0.02 1 671 117 117 MET CA C 58.006 0.2 1 672 117 117 MET CB C 32.407 0.2 1 673 117 117 MET CE C 18.652 0.2 1 674 117 117 MET N N 120.866 0.2 1 675 118 118 VAL H H 7.876 0.02 1 676 118 118 VAL HG1 H 0.613 0.02 2 677 118 118 VAL HG2 H 0.591 0.02 2 678 118 118 VAL C C 178.548 0.2 1 679 118 118 VAL CA C 66.500 0.2 1 680 118 118 VAL CB C 29.961 0.2 1 681 118 118 VAL CG1 C 23.341 0.2 2 682 118 118 VAL CG2 C 24.212 0.2 2 683 118 118 VAL N N 119.020 0.2 1 684 119 119 SER H H 7.701 0.02 1 685 119 119 SER CA C 61.149 0.2 1 686 119 119 SER CB C 62.431 0.2 1 687 119 119 SER N N 114.027 0.2 1 688 120 120 ARG C C 179.430 0.2 1 689 121 121 GLY H H 7.966 0.02 1 690 121 121 GLY C C 172.146 0.2 1 691 121 121 GLY CA C 45.505 0.2 1 692 121 121 GLY N N 107.408 0.2 1 693 122 122 THR H H 7.862 0.02 1 694 122 122 THR HG2 H 1.143 0.02 1 695 122 122 THR C C 173.113 0.2 1 696 122 122 THR CA C 62.245 0.2 1 697 122 122 THR CB C 67.922 0.2 1 698 122 122 THR CG2 C 21.115 0.2 1 699 122 122 THR N N 112.286 0.2 1 700 123 123 PHE H H 7.114 0.02 1 701 123 123 PHE HD1 H 6.530 0.02 3 702 123 123 PHE HE1 H 7.455 0.02 3 703 123 123 PHE C C 172.174 0.2 1 704 123 123 PHE CA C 57.424 0.2 1 705 123 123 PHE CB C 37.720 0.2 1 706 123 123 PHE CD1 C 133.735 0.2 3 707 123 123 PHE CE1 C 130.680 0.2 3 708 123 123 PHE N N 119.139 0.2 1 709 124 124 PRO C C 174.506 0.2 1 710 124 124 PRO CA C 62.254 0.2 1 711 124 124 PRO CB C 30.988 0.2 1 712 125 125 GLN H H 7.566 0.02 1 713 125 125 GLN C C 175.574 0.2 1 714 125 125 GLN CA C 57.253 0.2 1 715 125 125 GLN CB C 28.695 0.2 1 716 125 125 GLN N N 118.403 0.2 1 717 126 126 LEU H H 7.601 0.02 1 718 126 126 LEU HD1 H 1.055 0.02 2 719 126 126 LEU HD2 H 0.991 0.02 2 720 126 126 LEU C C 174.749 0.2 1 721 126 126 LEU CA C 53.251 0.2 1 722 126 126 LEU CB C 42.537 0.2 1 723 126 126 LEU CD1 C 23.665 0.2 2 724 126 126 LEU CD2 C 26.448 0.2 2 725 126 126 LEU N N 127.803 0.2 1 726 127 127 ASN H H 8.939 0.02 1 727 127 127 ASN C C 174.230 0.2 1 728 127 127 ASN CA C 50.506 0.2 1 729 127 127 ASN CB C 39.321 0.2 1 730 127 127 ASN N N 126.780 0.2 1 731 128 128 LEU H H 8.235 0.02 1 732 128 128 LEU HD1 H 0.946 0.02 2 733 128 128 LEU HD2 H 0.845 0.02 2 734 128 128 LEU C C 176.239 0.2 1 735 128 128 LEU CA C 55.061 0.2 1 736 128 128 LEU CB C 41.723 0.2 1 737 128 128 LEU CD1 C 22.240 0.2 2 738 128 128 LEU CD2 C 26.679 0.2 2 739 128 128 LEU N N 121.930 0.2 1 740 129 129 ALA H H 8.453 0.02 1 741 129 129 ALA HB H 1.596 0.02 1 742 129 129 ALA C C 174.790 0.2 1 743 129 129 ALA CA C 50.492 0.2 1 744 129 129 ALA CB C 17.351 0.2 1 745 129 129 ALA N N 129.811 0.2 1 746 130 130 PRO C C 175.108 0.2 1 747 130 130 PRO CA C 63.464 0.2 1 748 131 131 VAL H H 6.799 0.02 1 749 131 131 VAL HG1 H -0.295 0.02 2 750 131 131 VAL HG2 H 0.252 0.02 2 751 131 131 VAL CA C 60.188 0.2 1 752 131 131 VAL CB C 38.811 0.2 1 753 131 131 VAL CG1 C 19.616 0.2 2 754 131 131 VAL CG2 C 21.065 0.2 2 755 131 131 VAL N N 122.601 0.2 1 756 132 132 ASN C C 175.973 0.2 1 757 132 132 ASN CA C 54.942 0.2 1 758 133 133 PHE H H 8.800 0.02 1 759 133 133 PHE HD1 H 7.096 0.02 3 760 133 133 PHE HE1 H 7.229 0.02 3 761 133 133 PHE C C 177.938 0.2 1 762 133 133 PHE CA C 62.301 0.2 1 763 133 133 PHE CB C 38.520 0.2 1 764 133 133 PHE CD1 C 134.263 0.2 3 765 133 133 PHE CE1 C 130.083 0.2 3 766 133 133 PHE N N 124.344 0.2 1 767 134 134 ASP H H 8.153 0.02 1 768 134 134 ASP C C 178.149 0.2 1 769 134 134 ASP CA C 57.846 0.2 1 770 134 134 ASP CB C 39.322 0.2 1 771 134 134 ASP N N 122.028 0.2 1 772 135 135 ALA H H 7.297 0.02 1 773 135 135 ALA HB H 1.403 0.02 1 774 135 135 ALA C C 180.254 0.2 1 775 135 135 ALA CA C 53.759 0.2 1 776 135 135 ALA CB C 18.035 0.2 1 777 135 135 ALA N N 122.446 0.2 1 778 136 136 LEU H H 7.324 0.02 1 779 136 136 LEU HD1 H 0.805 0.02 2 780 136 136 LEU HD2 H 0.638 0.02 2 781 136 136 LEU C C 179.250 0.2 1 782 136 136 LEU CA C 57.279 0.2 1 783 136 136 LEU CB C 40.995 0.2 1 784 136 136 LEU CD1 C 23.508 0.2 2 785 136 136 LEU CD2 C 24.809 0.2 2 786 136 136 LEU N N 118.722 0.2 1 787 137 137 PHE H H 8.138 0.02 1 788 137 137 PHE HD1 H 7.000 0.02 3 789 137 137 PHE HE1 H 7.101 0.02 3 790 137 137 PHE C C 176.840 0.2 1 791 137 137 PHE CA C 60.232 0.2 1 792 137 137 PHE CB C 38.739 0.2 1 793 137 137 PHE CD1 C 131.214 0.2 3 794 137 137 PHE CE1 C 130.490 0.2 3 795 137 137 PHE N N 120.795 0.2 1 796 138 138 MET H H 7.950 0.02 1 797 138 138 MET HE H 2.086 0.02 1 798 138 138 MET C C 178.262 0.2 1 799 138 138 MET CA C 57.245 0.2 1 800 138 138 MET CB C 30.806 0.2 1 801 138 138 MET CE C 16.805 0.2 1 802 138 138 MET N N 118.181 0.2 1 803 139 139 ASN H H 7.875 0.02 1 804 139 139 ASN C C 176.756 0.2 1 805 139 139 ASN CA C 55.232 0.2 1 806 139 139 ASN CB C 37.720 0.2 1 807 139 139 ASN N N 118.324 0.2 1 808 140 140 TYR H H 7.736 0.02 1 809 140 140 TYR HD1 H 7.028 0.02 3 810 140 140 TYR HE1 H 6.844 0.02 3 811 140 140 TYR C C 177.339 0.2 1 812 140 140 TYR CA C 59.722 0.2 1 813 140 140 TYR CB C 36.701 0.2 1 814 140 140 TYR CD1 C 133.249 0.2 3 815 140 140 TYR CE1 C 118.224 0.2 3 816 140 140 TYR N N 121.729 0.2 1 817 141 141 LEU H H 7.829 0.02 1 818 141 141 LEU HD1 H 0.728 0.02 2 819 141 141 LEU HD2 H 0.784 0.02 2 820 141 141 LEU C C 179.201 0.2 1 821 141 141 LEU CA C 56.294 0.2 1 822 141 141 LEU CB C 40.849 0.2 1 823 141 141 LEU CD1 C 22.771 0.2 2 824 141 141 LEU CD2 C 25.241 0.2 2 825 141 141 LEU N N 120.839 0.2 1 826 142 142 GLN H H 7.776 0.02 1 827 142 142 GLN C C 177.258 0.2 1 828 142 142 GLN CA C 56.827 0.2 1 829 142 142 GLN CB C 27.604 0.2 1 830 142 142 GLN N N 118.815 0.2 1 831 143 143 GLN H H 7.799 0.02 1 832 143 143 GLN C C 176.983 0.2 1 833 143 143 GLN CA C 56.483 0.2 1 834 143 143 GLN CB C 27.639 0.2 1 835 143 143 GLN N N 119.651 0.2 1 836 144 144 GLN H H 7.835 0.02 1 837 144 144 GLN C C 176.157 0.2 1 838 144 144 GLN CA C 55.744 0.2 1 839 144 144 GLN CB C 28.113 0.2 1 840 144 144 GLN N N 119.704 0.2 1 841 145 145 ALA H H 7.829 0.02 1 842 145 145 ALA HB H 1.391 0.02 1 843 145 145 ALA C C 178.262 0.2 1 844 145 145 ALA CA C 52.702 0.2 1 845 145 145 ALA CB C 18.927 0.2 1 846 145 145 ALA N N 124.024 0.2 1 847 146 146 GLY H H 7.974 0.02 1 848 146 146 GLY C C 174.165 0.2 1 849 146 146 GLY CA C 44.750 0.2 1 850 146 146 GLY N N 107.895 0.2 1 851 147 147 GLU H H 8.111 0.02 1 852 147 147 GLU C C 177.096 0.2 1 853 147 147 GLU CA C 56.212 0.2 1 854 147 147 GLU CB C 29.205 0.2 1 855 147 147 GLU N N 121.198 0.2 1 856 148 148 GLY H H 8.369 0.02 1 857 148 148 GLY C C 174.408 0.2 1 858 148 148 GLY CA C 44.992 0.2 1 859 148 148 GLY N N 110.506 0.2 1 860 149 149 THR H H 7.883 0.02 1 861 149 149 THR HG2 H 1.171 0.02 1 862 149 149 THR C C 174.570 0.2 1 863 149 149 THR CA C 61.240 0.2 1 864 149 149 THR CB C 69.160 0.2 1 865 149 149 THR CG2 C 21.446 0.2 1 866 149 149 THR N N 113.739 0.2 1 867 150 150 GLU H H 8.359 0.02 1 868 150 150 GLU C C 176.288 0.2 1 869 150 150 GLU CA C 56.016 0.2 1 870 150 150 GLU CB C 29.205 0.2 1 871 150 150 GLU N N 123.574 0.2 1 872 151 151 GLU H H 8.231 0.02 1 873 151 151 GLU C C 176.157 0.2 1 874 151 151 GLU CA C 55.994 0.2 1 875 151 151 GLU CB C 29.496 0.2 1 876 151 151 GLU N N 122.426 0.2 1 877 152 152 HIS HD2 H 7.109 0.02 1 878 152 152 HIS HE1 H 8.154 0.02 1 879 152 152 HIS CD2 C 120.005 0.2 1 880 152 152 HIS CE1 C 137.608 0.2 1 881 153 153 GLN C C 175.430 0.2 1 882 153 153 GLN CA C 55.243 0.2 1 883 153 153 GLN CB C 29.125 0.2 1 884 154 154 ASP H H 8.372 0.02 1 885 154 154 ASP CA C 54.273 0.2 1 886 154 154 ASP CB C 40.673 0.2 1 887 154 154 ASP N N 122.845 0.2 1 888 155 155 ALA H H 7.690 0.02 1 889 155 155 ALA HB H 1.296 0.02 1 890 155 155 ALA CB C 20.138 0.2 1 891 155 155 ALA N N 129.862 0.2 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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, chain 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 1 1 MET HE H 2.004 0.02 1 2 1 1 MET CE C 16.935 0.2 1 3 2 2 SER H H 8.028 0.02 1 4 2 2 SER C C 174.344 0.2 1 5 2 2 SER CA C 61.744 0.2 1 6 2 2 SER CB C 69.087 0.2 1 7 2 2 SER N N 115.131 0.2 1 8 9 9 MET H H 7.939 0.02 1 9 9 9 MET HE H 1.645 0.02 1 10 9 9 MET C C 175.590 0.2 1 11 9 9 MET CA C 55.244 0.2 1 12 9 9 MET CB C 32.480 0.2 1 13 9 9 MET CE C 17.135 0.2 1 14 9 9 MET N N 120.990 0.2 1 15 10 10 THR H H 8.427 0.02 1 16 10 10 THR HG2 H 1.184 0.02 1 17 10 10 THR C C 172.661 0.2 1 18 10 10 THR CA C 61.726 0.2 1 19 10 10 THR CB C 70.179 0.2 1 20 10 10 THR CG2 C 21.586 0.2 1 21 10 10 THR N N 119.446 0.2 1 22 11 11 PHE H H 8.238 0.02 1 23 11 11 PHE HD1 H 6.617 0.02 3 24 11 11 PHE HE1 H 7.451 0.02 3 25 11 11 PHE HZ H 7.357 0.02 1 26 11 11 PHE C C 174.183 0.2 1 27 11 11 PHE CA C 57.494 0.2 1 28 11 11 PHE CB C 40.922 0.2 1 29 11 11 PHE CD1 C 130.272 0.2 3 30 11 11 PHE CE1 C 131.752 0.2 3 31 11 11 PHE N N 125.799 0.2 1 32 12 12 GLN H H 8.654 0.02 1 33 12 12 GLN C C 174.401 0.2 1 34 12 12 GLN CA C 54.036 0.2 1 35 12 12 GLN CB C 32.035 0.2 1 36 12 12 GLN N N 126.548 0.2 1 37 13 13 ILE H H 8.761 0.02 1 38 13 13 ILE HD1 H 1.048 0.02 1 39 13 13 ILE C C 175.705 0.2 1 40 13 13 ILE CA C 61.240 0.2 1 41 13 13 ILE CB C 37.210 0.2 1 42 13 13 ILE CD1 C 13.779 0.2 1 43 13 13 ILE N N 125.652 0.2 1 44 14 14 GLN H H 8.791 0.02 1 45 14 14 GLN C C 176.497 0.2 1 46 14 14 GLN CA C 56.739 0.2 1 47 14 14 GLN CB C 28.113 0.2 1 48 14 14 GLN N N 126.216 0.2 1 49 15 15 ARG H H 7.099 0.02 1 50 15 15 ARG C C 173.361 0.2 1 51 15 15 ARG CA C 56.097 0.2 1 52 15 15 ARG CB C 34.636 0.2 1 53 15 15 ARG N N 118.642 0.2 1 54 16 16 ILE H H 8.400 0.02 1 55 16 16 ILE HD1 H 0.315 0.02 1 56 16 16 ILE C C 174.458 0.2 1 57 16 16 ILE CA C 60.712 0.2 1 58 16 16 ILE CB C 41.504 0.2 1 59 16 16 ILE CD1 C 11.897 0.2 1 60 16 16 ILE N N 127.395 0.2 1 61 17 17 TYR HD1 H 7.143 0.02 3 62 17 17 TYR HE1 H 6.809 0.02 3 63 17 17 TYR C C 172.951 0.2 1 64 17 17 TYR CA C 55.093 0.2 1 65 17 17 TYR CB C 40.035 0.2 1 66 17 17 TYR CD1 C 131.940 0.2 3 67 17 17 TYR CE1 C 118.242 0.2 3 68 18 18 THR H H 8.335 0.02 1 69 18 18 THR HG2 H 1.241 0.02 1 70 18 18 THR C C 174.087 0.2 1 71 18 18 THR CA C 61.232 0.2 1 72 18 18 THR CB C 68.577 0.2 1 73 18 18 THR CG2 C 21.539 0.2 1 74 18 18 THR N N 117.129 0.2 1 75 19 19 LYS H H 8.461 0.02 1 76 19 19 LYS C C 174.522 0.2 1 77 19 19 LYS CA C 57.250 0.2 1 78 19 19 LYS CB C 32.989 0.2 1 79 19 19 LYS N N 123.501 0.2 1 80 20 20 ASP H H 7.270 0.02 1 81 20 20 ASP C C 174.635 0.2 1 82 20 20 ASP CA C 53.493 0.2 1 83 20 20 ASP CB C 44.051 0.2 1 84 20 20 ASP N N 115.986 0.2 1 85 21 21 ILE H H 9.389 0.02 1 86 21 21 ILE HD1 H 0.733 0.02 1 87 21 21 ILE C C 175.283 0.2 1 88 21 21 ILE CA C 60.993 0.2 1 89 21 21 ILE CB C 42.741 0.2 1 90 21 21 ILE CD1 C 14.558 0.2 1 91 21 21 ILE N N 124.744 0.2 1 92 22 22 SER H H 9.311 0.02 1 93 22 22 SER C C 172.935 0.2 1 94 22 22 SER CA C 57.211 0.2 1 95 22 22 SER CB C 64.793 0.2 1 96 22 22 SER N N 121.789 0.2 1 97 23 23 PHE H H 9.236 0.02 1 98 23 23 PHE HD1 H 6.087 0.02 3 99 23 23 PHE HE1 H 6.985 0.02 3 100 23 23 PHE C C 174.406 0.2 1 101 23 23 PHE CA C 56.995 0.2 1 102 23 23 PHE CB C 42.086 0.2 1 103 23 23 PHE CD1 C 132.374 0.2 3 104 23 23 PHE CE1 C 130.257 0.2 3 105 23 23 PHE N N 126.614 0.2 1 106 24 24 GLU H H 8.152 0.02 1 107 24 24 GLU CA C 55.142 0.2 1 108 24 24 GLU CB C 33.364 0.2 1 109 24 24 GLU N N 125.260 0.2 1 110 25 25 ALA H H 7.897 0.02 1 111 25 25 ALA HB H 1.713 0.02 1 112 25 25 ALA C C 175.316 0.2 1 113 25 25 ALA CA C 48.551 0.2 1 114 25 25 ALA CB C 19.835 0.2 1 115 25 25 ALA N N 125.746 0.2 1 116 26 26 PRO C C 177.381 0.2 1 117 27 27 ASN H H 9.029 0.02 1 118 27 27 ASN C C 175.785 0.2 1 119 27 27 ASN CA C 51.490 0.2 1 120 27 27 ASN CB C 38.302 0.2 1 121 27 27 ASN N N 114.703 0.2 1 122 28 28 ALA H H 7.409 0.02 1 123 28 28 ALA HB H 1.154 0.02 1 124 28 28 ALA C C 175.575 0.2 1 125 28 28 ALA CA C 50.744 0.2 1 126 28 28 ALA CB C 18.004 0.2 1 127 28 28 ALA N N 124.439 0.2 1 128 29 29 PRO C C 174.506 0.2 1 129 29 29 PRO CA C 62.254 0.2 1 130 29 29 PRO CB C 30.988 0.2 1 131 30 30 HIS H H 7.632 0.02 1 132 30 30 HIS HD2 H 6.993 0.02 1 133 30 30 HIS HE1 H 7.826 0.02 1 134 30 30 HIS C C 178.802 0.2 1 135 30 30 HIS CA C 59.161 0.2 1 136 30 30 HIS CB C 28.939 0.2 1 137 30 30 HIS CD2 C 119.863 0.2 1 138 30 30 HIS CE1 C 138.452 0.2 1 139 30 30 HIS N N 118.421 0.2 1 140 31 31 VAL H H 7.707 0.02 1 141 31 31 VAL HG1 H 0.429 0.02 2 142 31 31 VAL HG2 H 1.113 0.02 2 143 31 31 VAL C C 175.935 0.2 1 144 31 31 VAL CA C 62.984 0.2 1 145 31 31 VAL CB C 30.973 0.2 1 146 31 31 VAL CG1 C 19.010 0.2 2 147 31 31 VAL CG2 C 21.755 0.2 2 148 31 31 VAL N N 116.197 0.2 1 149 32 32 PHE H H 6.910 0.02 1 150 32 32 PHE HD1 H 6.799 0.02 3 151 32 32 PHE HE1 H 7.017 0.02 3 152 32 32 PHE C C 176.611 0.2 1 153 32 32 PHE CA C 56.744 0.2 1 154 32 32 PHE CB C 36.191 0.2 1 155 32 32 PHE CD1 C 132.954 0.2 3 156 32 32 PHE CE1 C 130.974 0.2 3 157 32 32 PHE N N 119.426 0.2 1 158 33 33 GLN H H 7.405 0.02 1 159 33 33 GLN C C 176.270 0.2 1 160 33 33 GLN CA C 55.394 0.2 1 161 33 33 GLN CB C 28.259 0.2 1 162 33 33 GLN N N 114.878 0.2 1 163 34 34 LYS H H 7.090 0.02 1 164 34 34 LYS C C 176.513 0.2 1 165 34 34 LYS CA C 55.213 0.2 1 166 34 34 LYS CB C 32.407 0.2 1 167 34 34 LYS N N 119.111 0.2 1 168 35 35 ASP H H 8.460 0.02 1 169 35 35 ASP C C 176.733 0.2 1 170 35 35 ASP CA C 54.874 0.2 1 171 35 35 ASP CB C 40.265 0.2 1 172 35 35 ASP N N 122.772 0.2 1 173 36 36 TRP H H 8.633 0.02 1 174 36 36 TRP HD1 H 7.267 0.02 1 175 36 36 TRP HE1 H 10.312 0.02 1 176 36 36 TRP HE3 H 7.982 0.02 1 177 36 36 TRP HZ3 H 6.957 0.02 1 178 36 36 TRP C C 173.810 0.2 1 179 36 36 TRP CA C 56.087 0.2 1 180 36 36 TRP CB C 27.676 0.2 1 181 36 36 TRP CD1 C 128.561 0.2 1 182 36 36 TRP CE3 C 122.168 0.2 1 183 36 36 TRP CZ3 C 121.039 0.2 1 184 36 36 TRP N N 126.043 0.2 1 185 36 36 TRP NE1 N 131.275 0.2 1 186 37 37 GLN H H 6.275 0.02 1 187 37 37 GLN C C 172.239 0.2 1 188 37 37 GLN CA C 52.252 0.2 1 189 37 37 GLN CB C 27.895 0.2 1 190 37 37 GLN N N 125.936 0.2 1 191 38 38 PRO C C 176.823 0.2 1 192 38 38 PRO CA C 62.411 0.2 1 193 38 38 PRO CB C 30.880 0.2 1 194 39 39 GLU H H 8.453 0.02 1 195 39 39 GLU C C 175.704 0.2 1 196 39 39 GLU CA C 55.247 0.2 1 197 39 39 GLU CB C 30.296 0.2 1 198 39 39 GLU N N 121.078 0.2 1 199 40 40 VAL H H 8.597 0.02 1 200 40 40 VAL HG1 H 0.730 0.02 2 201 40 40 VAL HG2 H 0.771 0.02 2 202 40 40 VAL C C 174.960 0.2 1 203 40 40 VAL CA C 61.244 0.2 1 204 40 40 VAL CB C 32.407 0.2 1 205 40 40 VAL CG1 C 20.914 0.2 2 206 40 40 VAL CG2 C 21.184 0.2 2 207 40 40 VAL N N 127.618 0.2 1 208 41 41 LYS H H 8.714 0.02 1 209 41 41 LYS C C 174.030 0.2 1 210 41 41 LYS CA C 54.493 0.2 1 211 41 41 LYS CB C 33.499 0.2 1 212 41 41 LYS N N 129.788 0.2 1 213 42 42 LEU H H 8.434 0.02 1 214 42 42 LEU HD1 H 0.860 0.02 2 215 42 42 LEU HD2 H 0.938 0.02 2 216 42 42 LEU C C 174.821 0.2 1 217 42 42 LEU CA C 53.502 0.2 1 218 42 42 LEU CB C 44.051 0.2 1 219 42 42 LEU CD1 C 25.694 0.2 2 220 42 42 LEU CD2 C 25.855 0.2 2 221 42 42 LEU N N 128.307 0.2 1 222 43 43 ASP H H 9.135 0.02 1 223 43 43 ASP C C 173.842 0.2 1 224 43 43 ASP CA C 53.245 0.2 1 225 43 43 ASP CB C 44.529 0.2 1 226 43 43 ASP N N 127.026 0.2 1 227 44 44 LEU H H 8.306 0.02 1 228 44 44 LEU HD1 H 0.842 0.02 2 229 44 44 LEU HD2 H 0.980 0.02 2 230 44 44 LEU C C 175.509 0.2 1 231 44 44 LEU CA C 53.745 0.2 1 232 44 44 LEU CB C 45.143 0.2 1 233 44 44 LEU CD1 C 26.261 0.2 2 234 44 44 LEU CD2 C 26.804 0.2 2 235 44 44 LEU N N 121.822 0.2 1 236 45 45 ASP H H 8.815 0.02 1 237 45 45 ASP C C 174.068 0.2 1 238 45 45 ASP CA C 53.493 0.2 1 239 45 45 ASP CB C 44.124 0.2 1 240 45 45 ASP N N 120.295 0.2 1 241 46 46 THR H H 8.336 0.02 1 242 46 46 THR HG2 H 1.111 0.02 1 243 46 46 THR C C 172.174 0.2 1 244 46 46 THR CA C 59.490 0.2 1 245 46 46 THR CB C 70.615 0.2 1 246 46 46 THR CG2 C 20.753 0.2 1 247 46 46 THR N N 114.580 0.2 1 248 47 47 ALA H H 8.486 0.02 1 249 47 47 ALA HB H 1.434 0.02 1 250 47 47 ALA C C 175.365 0.2 1 251 47 47 ALA CA C 50.985 0.2 1 252 47 47 ALA CB C 22.904 0.2 1 253 47 47 ALA N N 126.322 0.2 1 254 48 48 SER H H 8.445 0.02 1 255 48 48 SER C C 173.923 0.2 1 256 48 48 SER CA C 56.739 0.2 1 257 48 48 SER CB C 66.904 0.2 1 258 48 48 SER N N 113.399 0.2 1 259 49 49 SER H H 9.134 0.02 1 260 49 49 SER C C 172.530 0.2 1 261 49 49 SER CA C 57.409 0.2 1 262 49 49 SER CB C 65.302 0.2 1 263 49 49 SER N N 114.664 0.2 1 264 50 50 GLN H H 8.832 0.02 1 265 50 50 GLN C C 175.591 0.2 1 266 50 50 GLN CA C 55.746 0.2 1 267 50 50 GLN CB C 28.113 0.2 1 268 50 50 GLN N N 125.426 0.2 1 269 51 51 LEU H H 8.782 0.02 1 270 51 51 LEU HD1 H 0.754 0.02 2 271 51 51 LEU HD2 H 0.718 0.02 2 272 51 51 LEU C C 176.579 0.2 1 273 51 51 LEU CA C 55.247 0.2 1 274 51 51 LEU CB C 41.941 0.2 1 275 51 51 LEU CD1 C 26.174 0.2 2 276 51 51 LEU CD2 C 22.304 0.2 2 277 51 51 LEU N N 128.889 0.2 1 278 52 52 ALA H H 8.067 0.02 1 279 52 52 ALA HB H 1.344 0.02 1 280 52 52 ALA C C 176.417 0.2 1 281 52 52 ALA CA C 50.471 0.2 1 282 52 52 ALA CB C 20.370 0.2 1 283 52 52 ALA N N 120.947 0.2 1 284 53 53 ASP H H 8.330 0.02 1 285 53 53 ASP C C 175.882 0.2 1 286 53 53 ASP CA C 57.247 0.2 1 287 53 53 ASP CB C 39.321 0.2 1 288 53 53 ASP N N 120.003 0.2 1 289 54 54 ASP H H 8.272 0.02 1 290 54 54 ASP C C 174.295 0.2 1 291 54 54 ASP CA C 53.990 0.2 1 292 54 54 ASP CB C 39.539 0.2 1 293 54 54 ASP N N 115.748 0.2 1 294 55 55 VAL H H 7.164 0.02 1 295 55 55 VAL HG1 H 0.757 0.02 2 296 55 55 VAL HG2 H 0.847 0.02 2 297 55 55 VAL C C 174.522 0.2 1 298 55 55 VAL CA C 61.742 0.2 1 299 55 55 VAL CB C 33.426 0.2 1 300 55 55 VAL CG1 C 22.446 0.2 2 301 55 55 VAL CG2 C 20.909 0.2 2 302 55 55 VAL N N 118.775 0.2 1 303 56 56 TYR H H 9.182 0.02 1 304 56 56 TYR HD1 H 7.036 0.02 3 305 56 56 TYR HE1 H 6.916 0.02 3 306 56 56 TYR C C 174.975 0.2 1 307 56 56 TYR CA C 56.497 0.2 1 308 56 56 TYR CB C 41.504 0.2 1 309 56 56 TYR CD1 C 131.918 0.2 3 310 56 56 TYR CE2 C 117.545 0.2 3 311 56 56 TYR N N 126.262 0.2 1 312 57 57 GLU H H 9.229 0.02 1 313 57 57 GLU C C 176.254 0.2 1 314 57 57 GLU CA C 53.996 0.2 1 315 57 57 GLU CB C 31.315 0.2 1 316 57 57 GLU N N 122.851 0.2 1 317 58 58 VAL H H 9.090 0.02 1 318 58 58 VAL HG1 H 0.812 0.02 2 319 58 58 VAL HG2 H 1.043 0.02 2 320 58 58 VAL C C 173.712 0.2 1 321 58 58 VAL CA C 61.055 0.2 1 322 58 58 VAL CB C 33.950 0.2 1 323 58 58 VAL CG1 C 20.555 0.2 2 324 58 58 VAL CG2 C 22.000 0.2 2 325 58 58 VAL N N 128.424 0.2 1 326 59 59 VAL H H 8.911 0.02 1 327 59 59 VAL HG1 H 0.817 0.02 2 328 59 59 VAL HG2 H 0.755 0.02 2 329 59 59 VAL C C 174.538 0.2 1 330 59 59 VAL CA C 59.772 0.2 1 331 59 59 VAL CB C 33.513 0.2 1 332 59 59 VAL CG1 C 21.207 0.2 2 333 59 59 VAL CG2 C 21.358 0.2 2 334 59 59 VAL N N 124.198 0.2 1 335 60 60 LEU H H 9.109 0.02 1 336 60 60 LEU HD1 H 1.098 0.02 2 337 60 60 LEU HD2 H 1.004 0.02 2 338 60 60 LEU C C 173.262 0.2 1 339 60 60 LEU CA C 52.745 0.2 1 340 60 60 LEU CB C 44.706 0.2 1 341 60 60 LEU CD1 C 23.978 0.2 2 342 60 60 LEU CD2 C 27.453 0.2 2 343 60 60 LEU N N 130.154 0.2 1 344 61 61 ARG H H 9.400 0.02 1 345 61 61 ARG C C 174.975 0.2 1 346 61 61 ARG CA C 54.246 0.2 1 347 61 61 ARG CB C 30.806 0.2 1 348 61 61 ARG N N 131.104 0.2 1 349 62 62 VAL H H 8.931 0.02 1 350 62 62 VAL HG1 H 1.015 0.02 2 351 62 62 VAL HG2 H 0.948 0.02 2 352 62 62 VAL C C 174.214 0.2 1 353 62 62 VAL CA C 60.745 0.2 1 354 62 62 VAL CB C 33.353 0.2 1 355 62 62 VAL CG1 C 21.183 0.2 2 356 62 62 VAL CG2 C 22.189 0.2 2 357 62 62 VAL N N 126.722 0.2 1 358 63 63 THR H H 9.030 0.02 1 359 63 63 THR HG2 H 1.071 0.02 1 360 63 63 THR C C 173.777 0.2 1 361 63 63 THR CA C 61.734 0.2 1 362 63 63 THR CB C 69.596 0.2 1 363 63 63 THR CG2 C 20.862 0.2 1 364 63 63 THR N N 124.158 0.2 1 365 64 64 VAL H H 9.547 0.02 1 366 64 64 VAL HG1 H 0.978 0.02 2 367 64 64 VAL HG2 H 1.064 0.02 2 368 64 64 VAL C C 174.246 0.2 1 369 64 64 VAL CA C 59.992 0.2 1 370 64 64 VAL CB C 34.445 0.2 1 371 64 64 VAL CG1 C 21.681 0.2 2 372 64 64 VAL CG2 C 22.916 0.2 2 373 64 64 VAL N N 126.692 0.2 1 374 65 65 THR H H 8.512 0.02 1 375 65 65 THR HG2 H 1.091 0.02 1 376 65 65 THR C C 172.870 0.2 1 377 65 65 THR CA C 60.739 0.2 1 378 65 65 THR CB C 69.960 0.2 1 379 65 65 THR CG2 C 20.964 0.2 1 380 65 65 THR N N 121.842 0.2 1 381 66 66 ALA H H 8.190 0.02 1 382 66 66 ALA HB H 0.213 0.02 1 383 66 66 ALA C C 175.818 0.2 1 384 66 66 ALA CA C 48.998 0.2 1 385 66 66 ALA CB C 19.966 0.2 1 386 66 66 ALA N N 127.905 0.2 1 387 67 67 SER H H 8.727 0.02 1 388 67 67 SER C C 172.077 0.2 1 389 67 67 SER CA C 57.008 0.2 1 390 67 67 SER CB C 64.720 0.2 1 391 67 67 SER N N 119.545 0.2 1 392 68 68 LEU H H 8.627 0.02 1 393 68 68 LEU HD1 H 0.479 0.02 2 394 68 68 LEU HD2 H 0.971 0.02 2 395 68 68 LEU C C 176.643 0.2 1 396 68 68 LEU CA C 52.243 0.2 1 397 68 68 LEU CB C 40.995 0.2 1 398 68 68 LEU CD1 C 22.636 0.2 2 399 68 68 LEU CD2 C 26.001 0.2 2 400 68 68 LEU N N 124.437 0.2 1 401 69 69 GLY H H 8.653 0.02 1 402 69 69 GLY C C 175.007 0.2 1 403 69 69 GLY CA C 46.498 0.2 1 404 69 69 GLY N N 116.100 0.2 1 405 70 70 GLU H H 8.821 0.02 1 406 70 70 GLU C C 175.939 0.2 1 407 70 70 GLU CA C 56.225 0.2 1 408 70 70 GLU CB C 28.360 0.2 1 409 70 70 GLU N N 125.299 0.2 1 410 71 71 GLU H H 7.585 0.02 1 411 71 71 GLU C C 175.688 0.2 1 412 71 71 GLU CA C 54.478 0.2 1 413 71 71 GLU CB C 31.024 0.2 1 414 71 71 GLU N N 120.136 0.2 1 415 72 72 THR H H 8.637 0.02 1 416 72 72 THR HG2 H 0.907 0.02 1 417 72 72 THR C C 174.149 0.2 1 418 72 72 THR CA C 63.993 0.2 1 419 72 72 THR CB C 68.068 0.2 1 420 72 72 THR CG2 C 21.929 0.2 1 421 72 72 THR N N 122.499 0.2 1 422 73 73 ALA H H 9.460 0.02 1 423 73 73 ALA HB H 1.239 0.02 1 424 73 73 ALA C C 176.517 0.2 1 425 73 73 ALA CA C 52.995 0.2 1 426 73 73 ALA CB C 18.904 0.2 1 427 73 73 ALA N N 132.722 0.2 1 428 74 74 PHE H H 7.239 0.02 1 429 74 74 PHE HD1 H 7.342 0.02 3 430 74 74 PHE HE1 H 7.283 0.02 3 431 74 74 PHE C C 171.818 0.2 1 432 74 74 PHE CA C 56.243 0.2 1 433 74 74 PHE CB C 39.903 0.2 1 434 74 74 PHE CD1 C 132.110 0.2 3 435 74 74 PHE CE1 C 131.283 0.2 3 436 74 74 PHE N N 108.708 0.2 1 437 75 75 LEU H H 8.369 0.02 1 438 75 75 LEU HD1 H 0.822 0.02 2 439 75 75 LEU C C 175.891 0.2 1 440 75 75 LEU CA C 53.770 0.2 1 441 75 75 LEU CB C 44.197 0.2 1 442 75 75 LEU CD1 C 25.172 0.2 2 443 75 75 LEU N N 121.098 0.2 1 444 76 76 CYS H H 9.425 0.02 1 445 76 76 CYS C C 171.818 0.2 1 446 76 76 CYS CA C 56.247 0.2 1 447 76 76 CYS CB C 29.714 0.2 1 448 76 76 CYS N N 123.893 0.2 1 449 77 77 GLU H H 9.616 0.02 1 450 77 77 GLU C C 174.280 0.2 1 451 77 77 GLU CA C 54.513 0.2 1 452 77 77 GLU CB C 32.844 0.2 1 453 77 77 GLU N N 128.601 0.2 1 454 78 78 VAL H H 8.910 0.02 1 455 78 78 VAL HG1 H 1.147 0.02 2 456 78 78 VAL HG2 H 1.155 0.02 2 457 78 78 VAL C C 174.052 0.2 1 458 78 78 VAL CA C 59.244 0.2 1 459 78 78 VAL CB C 35.609 0.2 1 460 78 78 VAL CG1 C 20.929 0.2 2 461 78 78 VAL CG2 C 22.780 0.2 2 462 78 78 VAL N N 123.287 0.2 1 463 79 79 GLN H H 8.805 0.02 1 464 79 79 GLN C C 173.939 0.2 1 465 79 79 GLN CA C 54.999 0.2 1 466 79 79 GLN CB C 28.768 0.2 1 467 79 79 GLN N N 124.019 0.2 1 468 80 80 GLN H H 9.468 0.02 1 469 80 80 GLN C C 173.113 0.2 1 470 80 80 GLN CA C 53.749 0.2 1 471 80 80 GLN CB C 29.278 0.2 1 472 80 80 GLN N N 129.130 0.2 1 473 81 81 GLY H H 9.332 0.02 1 474 81 81 GLY CA C 42.994 0.2 1 475 81 81 GLY N N 116.406 0.2 1 476 82 82 GLY H H 8.508 0.02 1 477 82 82 GLY C C 171.764 0.2 1 478 82 82 GLY CA C 44.992 0.2 1 479 82 82 GLY N N 105.997 0.2 1 480 83 83 ILE H H 8.194 0.02 1 481 83 83 ILE HD1 H 0.736 0.02 1 482 83 83 ILE C C 177.800 0.2 1 483 83 83 ILE CA C 59.239 0.2 1 484 83 83 ILE CB C 38.811 0.2 1 485 83 83 ILE CD1 C 13.139 0.2 1 486 83 83 ILE N N 121.028 0.2 1 487 84 84 PHE H H 9.489 0.02 1 488 84 84 PHE HD1 H 6.957 0.02 3 489 84 84 PHE HE1 H 7.201 0.02 3 490 84 84 PHE C C 176.772 0.2 1 491 84 84 PHE CA C 55.266 0.2 1 492 84 84 PHE CB C 41.868 0.2 1 493 84 84 PHE CD1 C 132.140 0.2 3 494 84 84 PHE CE1 C 130.699 0.2 3 495 84 84 PHE N N 125.844 0.2 1 496 85 85 SER H H 9.010 0.02 1 497 85 85 SER C C 174.103 0.2 1 498 85 85 SER CA C 56.533 0.2 1 499 85 85 SER CB C 62.755 0.2 1 500 85 85 SER N N 120.747 0.2 1 501 86 86 ILE H H 8.385 0.02 1 502 86 86 ILE HD1 H 0.604 0.02 1 503 86 86 ILE C C 174.053 0.2 1 504 86 86 ILE CA C 60.308 0.2 1 505 86 86 ILE CB C 40.922 0.2 1 506 86 86 ILE CD1 C 14.679 0.2 1 507 86 86 ILE N N 125.778 0.2 1 508 87 87 ALA H H 8.680 0.02 1 509 87 87 ALA HB H 1.426 0.02 1 510 87 87 ALA C C 177.097 0.2 1 511 87 87 ALA CA C 50.756 0.2 1 512 87 87 ALA CB C 22.377 0.2 1 513 87 87 ALA N N 127.690 0.2 1 514 88 88 GLY H H 8.632 0.02 1 515 88 88 GLY C C 173.696 0.2 1 516 88 88 GLY CA C 45.490 0.2 1 517 88 88 GLY N N 107.644 0.2 1 518 89 89 ILE H H 7.052 0.02 1 519 89 89 ILE HD1 H 0.670 0.02 1 520 89 89 ILE C C 174.267 0.2 1 521 89 89 ILE CA C 58.823 0.2 1 522 89 89 ILE CB C 40.922 0.2 1 523 89 89 ILE CD1 C 14.148 0.2 1 524 89 89 ILE N N 111.844 0.2 1 525 90 90 GLU H H 8.557 0.02 1 526 90 90 GLU C C 177.080 0.2 1 527 90 90 GLU CA C 54.500 0.2 1 528 90 90 GLU CB C 31.898 0.2 1 529 90 90 GLU N N 120.176 0.2 1 530 91 91 GLY H H 8.652 0.02 1 531 91 91 GLY CA C 46.567 0.2 1 532 91 91 GLY N N 108.806 0.2 1 533 92 92 THR HG2 H 1.396 0.02 1 534 92 92 THR C C 176.622 0.2 1 535 92 92 THR CA C 64.969 0.2 1 536 92 92 THR CB C 68.468 0.2 1 537 92 92 THR CG2 C 22.215 0.2 1 538 93 93 GLN H H 8.070 0.02 1 539 93 93 GLN C C 178.586 0.2 1 540 93 93 GLN CA C 57.993 0.2 1 541 93 93 GLN CB C 27.604 0.2 1 542 93 93 GLN N N 121.709 0.2 1 543 94 94 MET H H 7.296 0.02 1 544 94 94 MET HE H 1.773 0.02 1 545 94 94 MET C C 176.983 0.2 1 546 94 94 MET CA C 56.743 0.2 1 547 94 94 MET CB C 30.198 0.2 1 548 94 94 MET CE C 17.956 0.2 1 549 94 94 MET N N 121.415 0.2 1 550 95 95 ALA H H 7.946 0.02 1 551 95 95 ALA HB H 1.639 0.02 1 552 95 95 ALA C C 179.962 0.2 1 553 95 95 ALA CA C 54.941 0.2 1 554 95 95 ALA CB C 17.480 0.2 1 555 95 95 ALA N N 122.598 0.2 1 556 96 96 HIS H H 8.062 0.02 1 557 96 96 HIS HD2 H 7.029 0.02 1 558 96 96 HIS HE1 H 7.763 0.02 1 559 96 96 HIS C C 176.978 0.2 1 560 96 96 HIS CA C 59.016 0.2 1 561 96 96 HIS CD2 C 119.253 0.2 1 562 96 96 HIS CE1 C 139.384 0.2 1 563 96 96 HIS N N 118.868 0.2 1 564 97 97 CYS H H 7.945 0.02 1 565 97 97 CYS C C 176.405 0.2 1 566 97 97 CYS CA C 61.729 0.2 1 567 97 97 CYS N N 123.952 0.2 1 568 98 98 LEU H H 7.947 0.02 1 569 98 98 LEU HD1 H 0.300 0.02 2 570 98 98 LEU HD2 H 0.480 0.02 2 571 98 98 LEU C C 177.906 0.2 1 572 98 98 LEU CA C 57.013 0.2 1 573 98 98 LEU CB C 40.922 0.2 1 574 98 98 LEU CD1 C 21.949 0.2 2 575 98 98 LEU CD2 C 25.102 0.2 2 576 98 98 LEU N N 117.377 0.2 1 577 99 99 GLY H H 7.713 0.02 1 578 99 99 GLY C C 172.886 0.2 1 579 99 99 GLY CA C 44.786 0.2 1 580 99 99 GLY N N 102.317 0.2 1 581 100 100 ALA H H 7.535 0.02 1 582 100 100 ALA HB H 0.798 0.02 1 583 100 100 ALA C C 176.044 0.2 1 584 100 100 ALA CA C 52.991 0.2 1 585 100 100 ALA CB C 20.200 0.2 1 586 100 100 ALA N N 120.517 0.2 1 587 101 101 TYR H H 7.203 0.02 1 588 101 101 TYR HD1 H 7.245 0.02 3 589 101 101 TYR HE1 H 6.426 0.02 3 590 101 101 TYR C C 180.157 0.2 1 591 101 101 TYR CA C 61.534 0.2 1 592 101 101 TYR CD1 C 131.579 0.2 3 593 101 101 TYR CE1 C 116.427 0.2 3 594 101 101 TYR N N 122.129 0.2 1 595 102 102 CYS H H 8.560 0.02 1 596 102 102 CYS C C 175.364 0.2 1 597 102 102 CYS CA C 65.301 0.2 1 598 102 102 CYS CB C 25.566 0.2 1 599 102 102 CYS N N 115.256 0.2 1 600 105 105 ILE H H 7.291 0.02 1 601 105 105 ILE HD1 H 0.814 0.02 1 602 105 105 ILE CA C 62.773 0.2 1 603 105 105 ILE CB C 36.628 0.2 1 604 105 105 ILE CD1 C 14.880 0.2 1 605 105 105 ILE N N 119.950 0.2 1 606 106 106 LEU HD1 H 0.597 0.02 2 607 106 106 LEU HD2 H 0.778 0.02 2 608 106 106 LEU CD1 C 22.745 0.2 2 609 106 106 LEU CD2 C 25.541 0.2 2 610 107 107 PHE HD1 H 7.173 0.02 3 611 107 107 PHE HE1 H 7.296 0.02 3 612 107 107 PHE CD1 C 131.967 0.2 3 613 107 107 PHE CE1 C 130.589 0.2 3 614 108 108 PRO C C 179.330 0.2 1 615 108 108 PRO CA C 66.012 0.2 1 616 109 109 TYR H H 7.153 0.02 1 617 109 109 TYR HD1 H 7.443 0.02 3 618 109 109 TYR HE1 H 6.050 0.02 3 619 109 109 TYR C C 177.712 0.2 1 620 109 109 TYR CA C 60.746 0.2 1 621 109 109 TYR CB C 36.191 0.2 1 622 109 109 TYR CD1 C 131.821 0.2 3 623 109 109 TYR CE1 C 118.338 0.2 3 624 109 109 TYR N N 116.895 0.2 1 625 110 110 ALA H H 7.381 0.02 1 626 110 110 ALA HB H 1.292 0.02 1 627 110 110 ALA C C 178.384 0.2 1 628 110 110 ALA CA C 54.478 0.2 1 629 110 110 ALA CB C 17.568 0.2 1 630 110 110 ALA N N 123.375 0.2 1 631 111 111 ARG H H 8.589 0.02 1 632 111 111 ARG C C 178.035 0.2 1 633 111 111 ARG CA C 58.585 0.2 1 634 111 111 ARG CB C 29.288 0.2 1 635 111 111 ARG N N 116.850 0.2 1 636 112 112 GLU H H 6.702 0.02 1 637 112 112 GLU C C 176.335 0.2 1 638 112 112 GLU CA C 58.992 0.2 1 639 112 112 GLU CB C 28.113 0.2 1 640 112 112 GLU N N 118.859 0.2 1 641 113 113 CYS H H 7.233 0.02 1 642 113 113 CYS C C 176.798 0.2 1 643 113 113 CYS CA C 62.294 0.2 1 644 113 113 CYS CB C 26.003 0.2 1 645 113 113 CYS N N 120.275 0.2 1 646 114 114 ILE H H 7.890 0.02 1 647 114 114 ILE HD1 H 0.728 0.02 1 648 114 114 ILE C C 177.339 0.2 1 649 114 114 ILE CA C 64.732 0.2 1 650 114 114 ILE CB C 35.609 0.2 1 651 114 114 ILE CD1 C 13.098 0.2 1 652 114 114 ILE N N 119.107 0.2 1 653 115 115 THR H H 8.646 0.02 1 654 115 115 THR C C 177.974 0.2 1 655 115 115 THR CA C 66.500 0.2 1 656 115 115 THR CB C 68.432 0.2 1 657 115 115 THR N N 116.344 0.2 1 658 116 116 SER H H 8.487 0.02 1 659 116 116 SER C C 176.258 0.2 1 660 116 116 SER CA C 61.498 0.2 1 661 116 116 SER CB C 62.246 0.2 1 662 116 116 SER N N 117.023 0.2 1 663 117 117 MET H H 7.902 0.02 1 664 117 117 MET HE H 1.981 0.02 1 665 117 117 MET CA C 58.006 0.2 1 666 117 117 MET CB C 32.407 0.2 1 667 117 117 MET CE C 18.652 0.2 1 668 117 117 MET N N 120.866 0.2 1 669 118 118 VAL H H 7.876 0.02 1 670 118 118 VAL HG1 H 0.623 0.02 2 671 118 118 VAL HG2 H 0.483 0.02 2 672 118 118 VAL C C 178.548 0.2 1 673 118 118 VAL CA C 66.500 0.2 1 674 118 118 VAL CB C 29.961 0.2 1 675 118 118 VAL CG1 C 20.909 0.2 2 676 118 118 VAL CG2 C 23.762 0.2 2 677 118 118 VAL N N 119.020 0.2 1 678 119 119 SER H H 7.701 0.02 1 679 119 119 SER CA C 61.149 0.2 1 680 119 119 SER CB C 62.431 0.2 1 681 119 119 SER N N 114.027 0.2 1 682 120 120 ARG C C 179.430 0.2 1 683 121 121 GLY H H 7.756 0.02 1 684 121 121 GLY C C 172.146 0.2 1 685 121 121 GLY CA C 45.505 0.2 1 686 121 121 GLY N N 107.166 0.2 1 687 122 122 THR H H 7.822 0.02 1 688 122 122 THR HG2 H 1.143 0.02 1 689 122 122 THR C C 173.113 0.2 1 690 122 122 THR CA C 62.245 0.2 1 691 122 122 THR CB C 67.777 0.2 1 692 122 122 THR CG2 C 21.115 0.2 1 693 122 122 THR N N 112.150 0.2 1 694 123 123 PHE H H 7.114 0.02 1 695 123 123 PHE HD1 H 6.502 0.02 3 696 123 123 PHE HE1 H 7.398 0.02 3 697 123 123 PHE C C 172.174 0.2 1 698 123 123 PHE CA C 57.424 0.2 1 699 123 123 PHE CB C 37.720 0.2 1 700 123 123 PHE CD1 C 133.907 0.2 3 701 123 123 PHE CE1 C 130.807 0.2 3 702 123 123 PHE N N 119.139 0.2 1 703 124 124 PRO C C 173.875 0.2 1 704 124 124 PRO CA C 62.167 0.2 1 705 124 124 PRO CB C 30.878 0.2 1 706 125 125 GLN H H 7.584 0.02 1 707 125 125 GLN C C 176.157 0.2 1 708 125 125 GLN CA C 55.970 0.2 1 709 125 125 GLN CB C 29.350 0.2 1 710 125 125 GLN N N 116.864 0.2 1 711 126 126 LEU H H 8.124 0.02 1 712 126 126 LEU HD1 H 1.056 0.02 2 713 126 126 LEU HD2 H 0.978 0.02 2 714 126 126 LEU C C 175.138 0.2 1 715 126 126 LEU CA C 53.490 0.2 1 716 126 126 LEU CB C 42.537 0.2 1 717 126 126 LEU CD1 C 24.198 0.2 2 718 126 126 LEU CD2 C 26.061 0.2 2 719 126 126 LEU N N 127.363 0.2 1 720 127 127 ASN H H 8.939 0.02 1 721 127 127 ASN C C 174.230 0.2 1 722 127 127 ASN CA C 50.506 0.2 1 723 127 127 ASN CB C 39.321 0.2 1 724 127 127 ASN N N 126.780 0.2 1 725 128 128 LEU H H 8.235 0.02 1 726 128 128 LEU HD1 H 0.899 0.02 2 727 128 128 LEU HD2 H 0.869 0.02 2 728 128 128 LEU C C 176.912 0.2 1 729 128 128 LEU CA C 55.061 0.2 1 730 128 128 LEU CB C 41.723 0.2 1 731 128 128 LEU CD1 C 23.364 0.2 2 732 128 128 LEU CD2 C 25.415 0.2 2 733 128 128 LEU N N 121.930 0.2 1 734 129 129 ALA H H 8.799 0.02 1 735 129 129 ALA HB H 1.357 0.02 1 736 129 129 ALA C C 175.106 0.2 1 737 129 129 ALA CA C 50.749 0.2 1 738 129 129 ALA CB C 17.526 0.2 1 739 129 129 ALA N N 128.283 0.2 1 740 130 130 PRO C C 175.826 0.2 1 741 130 130 PRO CA C 62.864 0.2 1 742 131 131 VAL H H 6.188 0.02 1 743 131 131 VAL HG1 H -0.284 0.02 2 744 131 131 VAL HG2 H 0.262 0.02 2 745 131 131 VAL C C 174.344 0.2 1 746 131 131 VAL CA C 60.492 0.2 1 747 131 131 VAL CB C 32.916 0.2 1 748 131 131 VAL CG1 C 19.860 0.2 2 749 131 131 VAL CG2 C 20.931 0.2 2 750 131 131 VAL N N 122.014 0.2 1 751 132 132 ASN C C 175.868 0.2 1 752 132 132 ASN CA C 52.424 0.2 1 753 133 133 PHE H H 8.623 0.02 1 754 133 133 PHE HD1 H 7.096 0.02 3 755 133 133 PHE HE1 H 7.229 0.02 3 756 133 133 PHE C C 177.938 0.2 1 757 133 133 PHE CA C 62.496 0.2 1 758 133 133 PHE CB C 38.739 0.2 1 759 133 133 PHE CD1 C 134.263 0.2 3 760 133 133 PHE CE1 C 130.083 0.2 3 761 133 133 PHE N N 124.868 0.2 1 762 134 134 ASP H H 8.150 0.02 1 763 134 134 ASP C C 178.149 0.2 1 764 134 134 ASP CA C 57.886 0.2 1 765 134 134 ASP CB C 39.394 0.2 1 766 134 134 ASP N N 121.946 0.2 1 767 135 135 ALA H H 7.341 0.02 1 768 135 135 ALA HB H 1.361 0.02 1 769 135 135 ALA C C 180.141 0.2 1 770 135 135 ALA CA C 53.759 0.2 1 771 135 135 ALA CB C 17.989 0.2 1 772 135 135 ALA N N 122.505 0.2 1 773 136 136 LEU H H 7.364 0.02 1 774 136 136 LEU HD1 H 0.791 0.02 2 775 136 136 LEU HD2 H 0.665 0.02 2 776 136 136 LEU C C 179.201 0.2 1 777 136 136 LEU CA C 57.253 0.2 1 778 136 136 LEU CB C 40.922 0.2 1 779 136 136 LEU CD1 C 23.377 0.2 2 780 136 136 LEU CD2 C 24.803 0.2 2 781 136 136 LEU N N 118.762 0.2 1 782 137 137 PHE H H 8.138 0.02 1 783 137 137 PHE HD1 H 7.000 0.02 3 784 137 137 PHE HE1 H 7.101 0.02 3 785 137 137 PHE C C 176.876 0.2 1 786 137 137 PHE CA C 60.232 0.2 1 787 137 137 PHE CB C 38.739 0.2 1 788 137 137 PHE CD1 C 131.214 0.2 3 789 137 137 PHE CE1 C 130.490 0.2 3 790 137 137 PHE N N 120.795 0.2 1 791 138 138 MET H H 7.997 0.02 1 792 138 138 MET HE H 2.086 0.02 1 793 138 138 MET C C 178.376 0.2 1 794 138 138 MET CA C 57.245 0.2 1 795 138 138 MET CB C 30.806 0.2 1 796 138 138 MET CE C 16.805 0.2 1 797 138 138 MET N N 118.067 0.2 1 798 139 139 ASN H H 7.903 0.02 1 799 139 139 ASN C C 176.756 0.2 1 800 139 139 ASN CA C 55.232 0.2 1 801 139 139 ASN CB C 37.720 0.2 1 802 139 139 ASN N N 118.245 0.2 1 803 140 140 TYR H H 7.736 0.02 1 804 140 140 TYR HD1 H 7.028 0.02 3 805 140 140 TYR HE1 H 6.844 0.02 3 806 140 140 TYR C C 177.339 0.2 1 807 140 140 TYR CA C 59.722 0.2 1 808 140 140 TYR CB C 36.701 0.2 1 809 140 140 TYR CD1 C 133.249 0.2 3 810 140 140 TYR CE1 C 118.224 0.2 3 811 140 140 TYR N N 121.729 0.2 1 812 141 141 LEU H H 7.829 0.02 1 813 141 141 LEU HD1 H 0.728 0.02 2 814 141 141 LEU HD2 H 0.784 0.02 2 815 141 141 LEU C C 179.201 0.2 1 816 141 141 LEU CA C 56.294 0.2 1 817 141 141 LEU CB C 40.849 0.2 1 818 141 141 LEU CD1 C 22.771 0.2 2 819 141 141 LEU CD2 C 25.241 0.2 2 820 141 141 LEU N N 120.839 0.2 1 821 142 142 GLN H H 7.776 0.02 1 822 142 142 GLN C C 177.258 0.2 1 823 142 142 GLN CA C 56.827 0.2 1 824 142 142 GLN CB C 27.604 0.2 1 825 142 142 GLN N N 118.815 0.2 1 826 143 143 GLN H H 7.799 0.02 1 827 143 143 GLN C C 176.983 0.2 1 828 143 143 GLN CA C 56.483 0.2 1 829 143 143 GLN CB C 27.639 0.2 1 830 143 143 GLN N N 119.651 0.2 1 831 144 144 GLN H H 7.835 0.02 1 832 144 144 GLN C C 176.157 0.2 1 833 144 144 GLN CA C 55.744 0.2 1 834 144 144 GLN CB C 28.113 0.2 1 835 144 144 GLN N N 119.704 0.2 1 836 145 145 ALA H H 7.829 0.02 1 837 145 145 ALA HB H 1.391 0.02 1 838 145 145 ALA C C 178.262 0.2 1 839 145 145 ALA CA C 52.702 0.2 1 840 145 145 ALA CB C 18.927 0.2 1 841 145 145 ALA N N 124.024 0.2 1 842 146 146 GLY H H 7.779 0.02 1 843 146 146 GLY C C 174.165 0.2 1 844 146 146 GLY CA C 44.752 0.2 1 845 146 146 GLY N N 107.262 0.2 1 846 147 147 GLU H H 8.111 0.02 1 847 147 147 GLU C C 177.096 0.2 1 848 147 147 GLU CA C 56.212 0.2 1 849 147 147 GLU CB C 29.205 0.2 1 850 147 147 GLU N N 121.198 0.2 1 851 148 148 GLY H H 8.369 0.02 1 852 148 148 GLY C C 174.408 0.2 1 853 148 148 GLY CA C 44.992 0.2 1 854 148 148 GLY N N 110.506 0.2 1 855 149 149 THR H H 7.883 0.02 1 856 149 149 THR HG2 H 1.171 0.02 1 857 149 149 THR C C 174.570 0.2 1 858 149 149 THR CA C 61.240 0.2 1 859 149 149 THR CB C 69.160 0.2 1 860 149 149 THR CG2 C 21.446 0.2 1 861 149 149 THR N N 113.739 0.2 1 862 150 150 GLU H H 8.359 0.02 1 863 150 150 GLU C C 176.288 0.2 1 864 150 150 GLU CA C 56.016 0.2 1 865 150 150 GLU CB C 29.205 0.2 1 866 150 150 GLU N N 123.574 0.2 1 867 151 151 GLU H H 8.231 0.02 1 868 151 151 GLU C C 176.157 0.2 1 869 151 151 GLU CA C 55.994 0.2 1 870 151 151 GLU CB C 29.496 0.2 1 871 151 151 GLU N N 122.426 0.2 1 872 152 152 HIS HD2 H 7.109 0.02 1 873 152 152 HIS HE1 H 8.154 0.02 1 874 152 152 HIS CD2 C 120.005 0.2 1 875 152 152 HIS CE1 C 137.608 0.2 1 876 153 153 GLN C C 175.430 0.2 1 877 153 153 GLN CA C 55.243 0.2 1 878 153 153 GLN CB C 29.125 0.2 1 879 154 154 ASP H H 8.372 0.02 1 880 154 154 ASP CA C 54.273 0.2 1 881 154 154 ASP CB C 40.673 0.2 1 882 154 154 ASP N N 122.845 0.2 1 883 155 155 ALA H H 7.690 0.02 1 884 155 155 ALA HB H 1.296 0.02 1 885 155 155 ALA CB C 20.138 0.2 1 886 155 155 ALA N N 129.862 0.2 1 stop_ save_ save_assigned_chemical_shifts_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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, chain 3' _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 HE H 2.004 0.02 1 2 1 1 MET CE C 16.935 0.2 1 3 2 2 SER H H 8.028 0.02 1 4 2 2 SER C C 174.344 0.2 1 5 2 2 SER CA C 61.744 0.2 1 6 2 2 SER CB C 69.087 0.2 1 7 2 2 SER N N 115.131 0.2 1 8 9 9 MET H H 7.939 0.02 1 9 9 9 MET HE H 1.645 0.02 1 10 9 9 MET C C 175.590 0.2 1 11 9 9 MET CA C 55.244 0.2 1 12 9 9 MET CB C 32.480 0.2 1 13 9 9 MET CE C 17.135 0.2 1 14 9 9 MET N N 120.990 0.2 1 15 10 10 THR H H 8.427 0.02 1 16 10 10 THR HG2 H 1.184 0.02 1 17 10 10 THR C C 172.661 0.2 1 18 10 10 THR CA C 61.726 0.2 1 19 10 10 THR CB C 70.179 0.2 1 20 10 10 THR CG2 C 21.586 0.2 1 21 10 10 THR N N 119.446 0.2 1 22 11 11 PHE H H 8.238 0.02 1 23 11 11 PHE HD1 H 6.617 0.02 3 24 11 11 PHE HE1 H 7.451 0.02 3 25 11 11 PHE HZ H 7.357 0.02 1 26 11 11 PHE C C 174.183 0.2 1 27 11 11 PHE CA C 57.494 0.2 1 28 11 11 PHE CB C 40.922 0.2 1 29 11 11 PHE CD1 C 130.272 0.2 3 30 11 11 PHE CE1 C 131.752 0.2 3 31 11 11 PHE N N 125.799 0.2 1 32 12 12 GLN H H 8.654 0.02 1 33 12 12 GLN C C 174.401 0.2 1 34 12 12 GLN CA C 54.036 0.2 1 35 12 12 GLN CB C 32.035 0.2 1 36 12 12 GLN N N 126.548 0.2 1 37 13 13 ILE H H 8.761 0.02 1 38 13 13 ILE HD1 H 1.048 0.02 1 39 13 13 ILE C C 175.705 0.2 1 40 13 13 ILE CA C 61.240 0.2 1 41 13 13 ILE CB C 37.210 0.2 1 42 13 13 ILE CD1 C 13.779 0.2 1 43 13 13 ILE N N 125.652 0.2 1 44 14 14 GLN H H 8.791 0.02 1 45 14 14 GLN C C 176.497 0.2 1 46 14 14 GLN CA C 56.739 0.2 1 47 14 14 GLN CB C 28.113 0.2 1 48 14 14 GLN N N 126.216 0.2 1 49 15 15 ARG H H 7.099 0.02 1 50 15 15 ARG C C 173.361 0.2 1 51 15 15 ARG CA C 56.097 0.2 1 52 15 15 ARG CB C 34.636 0.2 1 53 15 15 ARG N N 118.642 0.2 1 54 16 16 ILE H H 8.400 0.02 1 55 16 16 ILE HD1 H 0.315 0.02 1 56 16 16 ILE C C 174.458 0.2 1 57 16 16 ILE CA C 60.712 0.2 1 58 16 16 ILE CB C 41.504 0.2 1 59 16 16 ILE CD1 C 11.897 0.2 1 60 16 16 ILE N N 127.395 0.2 1 61 17 17 TYR HD1 H 7.143 0.02 3 62 17 17 TYR HE1 H 6.809 0.02 3 63 17 17 TYR C C 172.951 0.2 1 64 17 17 TYR CA C 55.093 0.2 1 65 17 17 TYR CB C 40.035 0.2 1 66 17 17 TYR CD1 C 131.940 0.2 3 67 17 17 TYR CE1 C 118.242 0.2 3 68 18 18 THR H H 8.335 0.02 1 69 18 18 THR HG2 H 1.241 0.02 1 70 18 18 THR C C 174.087 0.2 1 71 18 18 THR CA C 61.232 0.2 1 72 18 18 THR CB C 68.577 0.2 1 73 18 18 THR CG2 C 21.539 0.2 1 74 18 18 THR N N 117.129 0.2 1 75 19 19 LYS H H 8.461 0.02 1 76 19 19 LYS C C 174.522 0.2 1 77 19 19 LYS CA C 57.250 0.2 1 78 19 19 LYS CB C 32.989 0.2 1 79 19 19 LYS N N 123.501 0.2 1 80 20 20 ASP H H 7.270 0.02 1 81 20 20 ASP C C 174.635 0.2 1 82 20 20 ASP CA C 53.493 0.2 1 83 20 20 ASP CB C 44.051 0.2 1 84 20 20 ASP N N 115.986 0.2 1 85 21 21 ILE H H 9.389 0.02 1 86 21 21 ILE HD1 H 0.733 0.02 1 87 21 21 ILE C C 175.283 0.2 1 88 21 21 ILE CA C 60.993 0.2 1 89 21 21 ILE CB C 42.741 0.2 1 90 21 21 ILE CD1 C 14.558 0.2 1 91 21 21 ILE N N 124.744 0.2 1 92 22 22 SER H H 9.311 0.02 1 93 22 22 SER C C 172.935 0.2 1 94 22 22 SER CA C 57.211 0.2 1 95 22 22 SER CB C 64.793 0.2 1 96 22 22 SER N N 121.789 0.2 1 97 23 23 PHE H H 9.236 0.02 1 98 23 23 PHE HD1 H 6.087 0.02 3 99 23 23 PHE HE1 H 6.985 0.02 3 100 23 23 PHE C C 174.406 0.2 1 101 23 23 PHE CA C 56.995 0.2 1 102 23 23 PHE CB C 42.086 0.2 1 103 23 23 PHE CD1 C 132.374 0.2 3 104 23 23 PHE CE1 C 130.257 0.2 3 105 23 23 PHE N N 126.614 0.2 1 106 24 24 GLU H H 8.152 0.02 1 107 24 24 GLU CA C 55.142 0.2 1 108 24 24 GLU CB C 33.364 0.2 1 109 24 24 GLU N N 125.260 0.2 1 110 25 25 ALA H H 7.897 0.02 1 111 25 25 ALA HB H 1.713 0.02 1 112 25 25 ALA C C 175.316 0.2 1 113 25 25 ALA CA C 48.551 0.2 1 114 25 25 ALA CB C 19.835 0.2 1 115 25 25 ALA N N 125.746 0.2 1 116 26 26 PRO C C 177.381 0.2 1 117 27 27 ASN H H 9.029 0.02 1 118 27 27 ASN C C 175.785 0.2 1 119 27 27 ASN CA C 51.490 0.2 1 120 27 27 ASN CB C 38.302 0.2 1 121 27 27 ASN N N 114.703 0.2 1 122 28 28 ALA H H 7.409 0.02 1 123 28 28 ALA HB H 1.154 0.02 1 124 28 28 ALA C C 175.575 0.2 1 125 28 28 ALA CA C 50.744 0.2 1 126 28 28 ALA CB C 18.004 0.2 1 127 28 28 ALA N N 124.439 0.2 1 128 29 29 PRO C C 174.506 0.2 1 129 29 29 PRO CA C 62.254 0.2 1 130 29 29 PRO CB C 30.988 0.2 1 131 30 30 HIS H H 7.632 0.02 1 132 30 30 HIS HD2 H 6.993 0.02 1 133 30 30 HIS HE1 H 7.826 0.02 1 134 30 30 HIS C C 178.802 0.2 1 135 30 30 HIS CA C 59.161 0.2 1 136 30 30 HIS CB C 28.939 0.2 1 137 30 30 HIS CD2 C 119.863 0.2 1 138 30 30 HIS CE1 C 138.452 0.2 1 139 30 30 HIS N N 118.421 0.2 1 140 31 31 VAL H H 7.707 0.02 1 141 31 31 VAL HG1 H 0.429 0.02 2 142 31 31 VAL HG2 H 1.113 0.02 2 143 31 31 VAL C C 175.935 0.2 1 144 31 31 VAL CA C 62.984 0.2 1 145 31 31 VAL CB C 30.973 0.2 1 146 31 31 VAL CG1 C 19.010 0.2 2 147 31 31 VAL CG2 C 21.755 0.2 2 148 31 31 VAL N N 116.197 0.2 1 149 32 32 PHE H H 6.910 0.02 1 150 32 32 PHE HD1 H 6.799 0.02 3 151 32 32 PHE HE1 H 7.017 0.02 3 152 32 32 PHE C C 176.611 0.2 1 153 32 32 PHE CA C 56.744 0.2 1 154 32 32 PHE CB C 36.191 0.2 1 155 32 32 PHE CD1 C 132.954 0.2 3 156 32 32 PHE CE1 C 130.974 0.2 3 157 32 32 PHE N N 119.426 0.2 1 158 33 33 GLN H H 7.405 0.02 1 159 33 33 GLN C C 176.270 0.2 1 160 33 33 GLN CA C 55.394 0.2 1 161 33 33 GLN CB C 28.259 0.2 1 162 33 33 GLN N N 114.878 0.2 1 163 34 34 LYS H H 7.090 0.02 1 164 34 34 LYS C C 176.513 0.2 1 165 34 34 LYS CA C 55.213 0.2 1 166 34 34 LYS CB C 32.407 0.2 1 167 34 34 LYS N N 119.111 0.2 1 168 35 35 ASP H H 8.460 0.02 1 169 35 35 ASP C C 176.733 0.2 1 170 35 35 ASP CA C 54.874 0.2 1 171 35 35 ASP CB C 40.265 0.2 1 172 35 35 ASP N N 122.772 0.2 1 173 36 36 TRP H H 8.633 0.02 1 174 36 36 TRP HD1 H 7.267 0.02 1 175 36 36 TRP HE1 H 10.312 0.02 1 176 36 36 TRP HE3 H 7.982 0.02 1 177 36 36 TRP HZ3 H 6.957 0.02 1 178 36 36 TRP C C 173.810 0.2 1 179 36 36 TRP CA C 56.087 0.2 1 180 36 36 TRP CB C 27.676 0.2 1 181 36 36 TRP CD1 C 128.561 0.2 1 182 36 36 TRP CE3 C 122.168 0.2 1 183 36 36 TRP CZ3 C 121.039 0.2 1 184 36 36 TRP N N 126.043 0.2 1 185 36 36 TRP NE1 N 131.275 0.2 1 186 37 37 GLN H H 6.275 0.02 1 187 37 37 GLN C C 172.239 0.2 1 188 37 37 GLN CA C 52.252 0.2 1 189 37 37 GLN CB C 27.895 0.2 1 190 37 37 GLN N N 125.936 0.2 1 191 38 38 PRO C C 176.823 0.2 1 192 38 38 PRO CA C 62.411 0.2 1 193 38 38 PRO CB C 30.880 0.2 1 194 39 39 GLU H H 8.453 0.02 1 195 39 39 GLU C C 175.704 0.2 1 196 39 39 GLU CA C 55.247 0.2 1 197 39 39 GLU CB C 30.296 0.2 1 198 39 39 GLU N N 121.078 0.2 1 199 40 40 VAL H H 8.597 0.02 1 200 40 40 VAL HG1 H 0.730 0.02 2 201 40 40 VAL HG2 H 0.771 0.02 2 202 40 40 VAL C C 174.960 0.2 1 203 40 40 VAL CA C 61.244 0.2 1 204 40 40 VAL CB C 32.407 0.2 1 205 40 40 VAL CG1 C 20.914 0.2 2 206 40 40 VAL CG2 C 21.184 0.2 2 207 40 40 VAL N N 127.618 0.2 1 208 41 41 LYS H H 8.714 0.02 1 209 41 41 LYS C C 174.030 0.2 1 210 41 41 LYS CA C 54.493 0.2 1 211 41 41 LYS CB C 33.499 0.2 1 212 41 41 LYS N N 129.788 0.2 1 213 42 42 LEU H H 8.434 0.02 1 214 42 42 LEU HD1 H 0.860 0.02 2 215 42 42 LEU HD2 H 0.938 0.02 2 216 42 42 LEU C C 174.821 0.2 1 217 42 42 LEU CA C 53.502 0.2 1 218 42 42 LEU CB C 44.051 0.2 1 219 42 42 LEU CD1 C 25.694 0.2 2 220 42 42 LEU CD2 C 25.855 0.2 2 221 42 42 LEU N N 128.307 0.2 1 222 43 43 ASP H H 9.135 0.02 1 223 43 43 ASP C C 173.842 0.2 1 224 43 43 ASP CA C 53.245 0.2 1 225 43 43 ASP CB C 44.529 0.2 1 226 43 43 ASP N N 127.026 0.2 1 227 44 44 LEU H H 8.306 0.02 1 228 44 44 LEU HD1 H 0.842 0.02 2 229 44 44 LEU HD2 H 0.980 0.02 2 230 44 44 LEU C C 175.509 0.2 1 231 44 44 LEU CA C 53.745 0.2 1 232 44 44 LEU CB C 45.143 0.2 1 233 44 44 LEU CD1 C 26.261 0.2 2 234 44 44 LEU CD2 C 26.804 0.2 2 235 44 44 LEU N N 121.822 0.2 1 236 45 45 ASP H H 8.815 0.02 1 237 45 45 ASP C C 174.068 0.2 1 238 45 45 ASP CA C 53.493 0.2 1 239 45 45 ASP CB C 44.124 0.2 1 240 45 45 ASP N N 120.295 0.2 1 241 46 46 THR H H 8.336 0.02 1 242 46 46 THR HG2 H 1.111 0.02 1 243 46 46 THR C C 172.174 0.2 1 244 46 46 THR CA C 59.490 0.2 1 245 46 46 THR CB C 70.615 0.2 1 246 46 46 THR CG2 C 20.753 0.2 1 247 46 46 THR N N 114.580 0.2 1 248 47 47 ALA H H 8.486 0.02 1 249 47 47 ALA HB H 1.434 0.02 1 250 47 47 ALA C C 175.365 0.2 1 251 47 47 ALA CA C 50.985 0.2 1 252 47 47 ALA CB C 22.904 0.2 1 253 47 47 ALA N N 126.322 0.2 1 254 48 48 SER H H 8.445 0.02 1 255 48 48 SER C C 173.923 0.2 1 256 48 48 SER CA C 56.739 0.2 1 257 48 48 SER CB C 66.904 0.2 1 258 48 48 SER N N 113.399 0.2 1 259 49 49 SER H H 9.134 0.02 1 260 49 49 SER C C 172.530 0.2 1 261 49 49 SER CA C 57.409 0.2 1 262 49 49 SER CB C 65.302 0.2 1 263 49 49 SER N N 114.664 0.2 1 264 50 50 GLN H H 8.832 0.02 1 265 50 50 GLN C C 175.591 0.2 1 266 50 50 GLN CA C 55.746 0.2 1 267 50 50 GLN CB C 28.113 0.2 1 268 50 50 GLN N N 125.426 0.2 1 269 51 51 LEU H H 8.782 0.02 1 270 51 51 LEU HD1 H 0.754 0.02 2 271 51 51 LEU HD2 H 0.718 0.02 2 272 51 51 LEU C C 176.579 0.2 1 273 51 51 LEU CA C 55.247 0.2 1 274 51 51 LEU CB C 41.941 0.2 1 275 51 51 LEU CD1 C 26.174 0.2 2 276 51 51 LEU CD2 C 22.304 0.2 2 277 51 51 LEU N N 128.889 0.2 1 278 52 52 ALA H H 8.067 0.02 1 279 52 52 ALA HB H 1.344 0.02 1 280 52 52 ALA C C 176.417 0.2 1 281 52 52 ALA CA C 50.471 0.2 1 282 52 52 ALA CB C 20.370 0.2 1 283 52 52 ALA N N 120.947 0.2 1 284 53 53 ASP H H 8.330 0.02 1 285 53 53 ASP C C 175.882 0.2 1 286 53 53 ASP CA C 57.247 0.2 1 287 53 53 ASP CB C 39.321 0.2 1 288 53 53 ASP N N 120.003 0.2 1 289 54 54 ASP H H 8.272 0.02 1 290 54 54 ASP C C 174.295 0.2 1 291 54 54 ASP CA C 53.990 0.2 1 292 54 54 ASP CB C 39.539 0.2 1 293 54 54 ASP N N 115.748 0.2 1 294 55 55 VAL H H 7.164 0.02 1 295 55 55 VAL HG1 H 0.757 0.02 2 296 55 55 VAL HG2 H 0.847 0.02 2 297 55 55 VAL C C 174.522 0.2 1 298 55 55 VAL CA C 61.742 0.2 1 299 55 55 VAL CB C 33.426 0.2 1 300 55 55 VAL CG1 C 22.446 0.2 2 301 55 55 VAL CG2 C 20.909 0.2 2 302 55 55 VAL N N 118.775 0.2 1 303 56 56 TYR H H 9.182 0.02 1 304 56 56 TYR HD1 H 7.036 0.02 3 305 56 56 TYR HE1 H 6.916 0.02 3 306 56 56 TYR C C 174.975 0.2 1 307 56 56 TYR CA C 56.497 0.2 1 308 56 56 TYR CB C 41.504 0.2 1 309 56 56 TYR CD1 C 131.918 0.2 3 310 56 56 TYR CE2 C 117.545 0.2 3 311 56 56 TYR N N 126.262 0.2 1 312 57 57 GLU H H 9.229 0.02 1 313 57 57 GLU C C 176.254 0.2 1 314 57 57 GLU CA C 53.996 0.2 1 315 57 57 GLU CB C 31.315 0.2 1 316 57 57 GLU N N 122.851 0.2 1 317 58 58 VAL H H 9.090 0.02 1 318 58 58 VAL HG1 H 0.812 0.02 2 319 58 58 VAL HG2 H 1.043 0.02 2 320 58 58 VAL C C 173.712 0.2 1 321 58 58 VAL CA C 61.055 0.2 1 322 58 58 VAL CB C 33.950 0.2 1 323 58 58 VAL CG1 C 20.555 0.2 2 324 58 58 VAL CG2 C 22.000 0.2 2 325 58 58 VAL N N 128.424 0.2 1 326 59 59 VAL H H 8.911 0.02 1 327 59 59 VAL HG1 H 0.817 0.02 2 328 59 59 VAL HG2 H 0.755 0.02 2 329 59 59 VAL C C 174.538 0.2 1 330 59 59 VAL CA C 59.772 0.2 1 331 59 59 VAL CB C 33.513 0.2 1 332 59 59 VAL CG1 C 21.207 0.2 2 333 59 59 VAL CG2 C 21.358 0.2 2 334 59 59 VAL N N 124.198 0.2 1 335 60 60 LEU H H 9.109 0.02 1 336 60 60 LEU HD1 H 1.098 0.02 2 337 60 60 LEU HD2 H 1.004 0.02 2 338 60 60 LEU C C 173.262 0.2 1 339 60 60 LEU CA C 52.745 0.2 1 340 60 60 LEU CB C 44.706 0.2 1 341 60 60 LEU CD1 C 23.978 0.2 2 342 60 60 LEU CD2 C 27.453 0.2 2 343 60 60 LEU N N 130.154 0.2 1 344 61 61 ARG H H 9.400 0.02 1 345 61 61 ARG C C 174.975 0.2 1 346 61 61 ARG CA C 54.246 0.2 1 347 61 61 ARG CB C 30.806 0.2 1 348 61 61 ARG N N 131.104 0.2 1 349 62 62 VAL H H 8.931 0.02 1 350 62 62 VAL HG1 H 1.015 0.02 2 351 62 62 VAL HG2 H 0.948 0.02 2 352 62 62 VAL C C 174.214 0.2 1 353 62 62 VAL CA C 60.745 0.2 1 354 62 62 VAL CB C 33.353 0.2 1 355 62 62 VAL CG1 C 21.183 0.2 2 356 62 62 VAL CG2 C 22.189 0.2 2 357 62 62 VAL N N 126.722 0.2 1 358 63 63 THR H H 9.030 0.02 1 359 63 63 THR HG2 H 1.071 0.02 1 360 63 63 THR C C 173.777 0.2 1 361 63 63 THR CA C 61.734 0.2 1 362 63 63 THR CB C 69.596 0.2 1 363 63 63 THR CG2 C 20.862 0.2 1 364 63 63 THR N N 124.158 0.2 1 365 64 64 VAL H H 9.547 0.02 1 366 64 64 VAL HG1 H 0.978 0.02 2 367 64 64 VAL HG2 H 1.064 0.02 2 368 64 64 VAL C C 174.246 0.2 1 369 64 64 VAL CA C 59.992 0.2 1 370 64 64 VAL CB C 34.445 0.2 1 371 64 64 VAL CG1 C 21.681 0.2 2 372 64 64 VAL CG2 C 22.916 0.2 2 373 64 64 VAL N N 126.692 0.2 1 374 65 65 THR H H 8.512 0.02 1 375 65 65 THR HG2 H 1.091 0.02 1 376 65 65 THR C C 172.870 0.2 1 377 65 65 THR CA C 60.739 0.2 1 378 65 65 THR CB C 69.960 0.2 1 379 65 65 THR CG2 C 20.964 0.2 1 380 65 65 THR N N 121.842 0.2 1 381 66 66 ALA H H 8.190 0.02 1 382 66 66 ALA HB H 0.213 0.02 1 383 66 66 ALA C C 175.818 0.2 1 384 66 66 ALA CA C 48.998 0.2 1 385 66 66 ALA CB C 19.966 0.2 1 386 66 66 ALA N N 127.905 0.2 1 387 67 67 SER H H 8.727 0.02 1 388 67 67 SER C C 172.077 0.2 1 389 67 67 SER CA C 57.008 0.2 1 390 67 67 SER CB C 64.720 0.2 1 391 67 67 SER N N 119.545 0.2 1 392 68 68 LEU H H 8.627 0.02 1 393 68 68 LEU HD1 H 0.479 0.02 2 394 68 68 LEU HD2 H 0.971 0.02 2 395 68 68 LEU C C 176.643 0.2 1 396 68 68 LEU CA C 52.243 0.2 1 397 68 68 LEU CB C 40.995 0.2 1 398 68 68 LEU CD1 C 22.636 0.2 2 399 68 68 LEU CD2 C 26.001 0.2 2 400 68 68 LEU N N 124.437 0.2 1 401 69 69 GLY H H 8.653 0.02 1 402 69 69 GLY C C 175.007 0.2 1 403 69 69 GLY CA C 46.498 0.2 1 404 69 69 GLY N N 116.100 0.2 1 405 70 70 GLU H H 8.821 0.02 1 406 70 70 GLU C C 175.939 0.2 1 407 70 70 GLU CA C 56.225 0.2 1 408 70 70 GLU CB C 28.360 0.2 1 409 70 70 GLU N N 125.299 0.2 1 410 71 71 GLU H H 7.585 0.02 1 411 71 71 GLU C C 175.688 0.2 1 412 71 71 GLU CA C 54.478 0.2 1 413 71 71 GLU CB C 31.024 0.2 1 414 71 71 GLU N N 120.136 0.2 1 415 72 72 THR H H 8.637 0.02 1 416 72 72 THR HG2 H 0.907 0.02 1 417 72 72 THR C C 174.149 0.2 1 418 72 72 THR CA C 63.993 0.2 1 419 72 72 THR CB C 68.068 0.2 1 420 72 72 THR CG2 C 21.929 0.2 1 421 72 72 THR N N 122.499 0.2 1 422 73 73 ALA H H 9.460 0.02 1 423 73 73 ALA HB H 1.239 0.02 1 424 73 73 ALA C C 176.517 0.2 1 425 73 73 ALA CA C 52.995 0.2 1 426 73 73 ALA CB C 18.904 0.2 1 427 73 73 ALA N N 132.722 0.2 1 428 74 74 PHE H H 7.239 0.02 1 429 74 74 PHE HD1 H 7.342 0.02 3 430 74 74 PHE HE1 H 7.283 0.02 3 431 74 74 PHE C C 171.818 0.2 1 432 74 74 PHE CA C 56.243 0.2 1 433 74 74 PHE CB C 39.903 0.2 1 434 74 74 PHE CD1 C 132.110 0.2 3 435 74 74 PHE CE1 C 131.283 0.2 3 436 74 74 PHE N N 108.708 0.2 1 437 75 75 LEU H H 8.369 0.02 1 438 75 75 LEU HD1 H 0.822 0.02 2 439 75 75 LEU C C 175.891 0.2 1 440 75 75 LEU CA C 53.770 0.2 1 441 75 75 LEU CB C 44.197 0.2 1 442 75 75 LEU CD1 C 25.172 0.2 2 443 75 75 LEU N N 121.098 0.2 1 444 76 76 CYS H H 9.425 0.02 1 445 76 76 CYS C C 171.818 0.2 1 446 76 76 CYS CA C 56.247 0.2 1 447 76 76 CYS CB C 29.714 0.2 1 448 76 76 CYS N N 123.893 0.2 1 449 77 77 GLU H H 9.616 0.02 1 450 77 77 GLU C C 174.280 0.2 1 451 77 77 GLU CA C 54.513 0.2 1 452 77 77 GLU CB C 32.844 0.2 1 453 77 77 GLU N N 128.601 0.2 1 454 78 78 VAL H H 8.910 0.02 1 455 78 78 VAL HG1 H 1.147 0.02 2 456 78 78 VAL HG2 H 1.155 0.02 2 457 78 78 VAL C C 174.052 0.2 1 458 78 78 VAL CA C 59.244 0.2 1 459 78 78 VAL CB C 35.609 0.2 1 460 78 78 VAL CG1 C 20.929 0.2 2 461 78 78 VAL CG2 C 22.780 0.2 2 462 78 78 VAL N N 123.287 0.2 1 463 79 79 GLN H H 8.805 0.02 1 464 79 79 GLN C C 173.939 0.2 1 465 79 79 GLN CA C 54.999 0.2 1 466 79 79 GLN CB C 28.768 0.2 1 467 79 79 GLN N N 124.019 0.2 1 468 80 80 GLN H H 9.468 0.02 1 469 80 80 GLN C C 173.113 0.2 1 470 80 80 GLN CA C 53.749 0.2 1 471 80 80 GLN CB C 29.278 0.2 1 472 80 80 GLN N N 129.130 0.2 1 473 81 81 GLY H H 9.332 0.02 1 474 81 81 GLY CA C 42.994 0.2 1 475 81 81 GLY N N 116.406 0.2 1 476 82 82 GLY H H 8.508 0.02 1 477 82 82 GLY C C 171.764 0.2 1 478 82 82 GLY CA C 44.992 0.2 1 479 82 82 GLY N N 105.997 0.2 1 480 83 83 ILE H H 8.194 0.02 1 481 83 83 ILE HD1 H 0.736 0.02 1 482 83 83 ILE C C 177.800 0.2 1 483 83 83 ILE CA C 59.239 0.2 1 484 83 83 ILE CB C 38.811 0.2 1 485 83 83 ILE CD1 C 13.139 0.2 1 486 83 83 ILE N N 121.028 0.2 1 487 84 84 PHE H H 9.489 0.02 1 488 84 84 PHE HD1 H 6.957 0.02 3 489 84 84 PHE HE1 H 7.201 0.02 3 490 84 84 PHE C C 176.772 0.2 1 491 84 84 PHE CA C 55.266 0.2 1 492 84 84 PHE CB C 41.868 0.2 1 493 84 84 PHE CD1 C 132.140 0.2 3 494 84 84 PHE CE1 C 130.699 0.2 3 495 84 84 PHE N N 125.844 0.2 1 496 85 85 SER H H 9.010 0.02 1 497 85 85 SER C C 174.103 0.2 1 498 85 85 SER CA C 56.533 0.2 1 499 85 85 SER CB C 62.755 0.2 1 500 85 85 SER N N 120.747 0.2 1 501 86 86 ILE H H 8.385 0.02 1 502 86 86 ILE HD1 H 0.604 0.02 1 503 86 86 ILE C C 174.053 0.2 1 504 86 86 ILE CA C 60.308 0.2 1 505 86 86 ILE CB C 40.922 0.2 1 506 86 86 ILE CD1 C 14.679 0.2 1 507 86 86 ILE N N 125.778 0.2 1 508 87 87 ALA H H 8.680 0.02 1 509 87 87 ALA HB H 1.426 0.02 1 510 87 87 ALA C C 177.097 0.2 1 511 87 87 ALA CA C 50.756 0.2 1 512 87 87 ALA CB C 22.377 0.2 1 513 87 87 ALA N N 127.690 0.2 1 514 88 88 GLY H H 8.632 0.02 1 515 88 88 GLY C C 173.696 0.2 1 516 88 88 GLY CA C 45.490 0.2 1 517 88 88 GLY N N 107.644 0.2 1 518 89 89 ILE H H 7.052 0.02 1 519 89 89 ILE HD1 H 0.670 0.02 1 520 89 89 ILE C C 174.267 0.2 1 521 89 89 ILE CA C 58.823 0.2 1 522 89 89 ILE CB C 40.922 0.2 1 523 89 89 ILE CD1 C 14.148 0.2 1 524 89 89 ILE N N 111.844 0.2 1 525 90 90 GLU H H 8.557 0.02 1 526 90 90 GLU C C 177.080 0.2 1 527 90 90 GLU CA C 54.500 0.2 1 528 90 90 GLU CB C 31.898 0.2 1 529 90 90 GLU N N 120.176 0.2 1 530 91 91 GLY H H 8.652 0.02 1 531 91 91 GLY CA C 46.567 0.2 1 532 91 91 GLY N N 108.806 0.2 1 533 92 92 THR HG2 H 1.396 0.02 1 534 92 92 THR C C 176.622 0.2 1 535 92 92 THR CA C 64.969 0.2 1 536 92 92 THR CB C 68.468 0.2 1 537 92 92 THR CG2 C 22.215 0.2 1 538 93 93 GLN H H 8.070 0.02 1 539 93 93 GLN C C 178.586 0.2 1 540 93 93 GLN CA C 57.993 0.2 1 541 93 93 GLN CB C 27.604 0.2 1 542 93 93 GLN N N 121.709 0.2 1 543 94 94 MET H H 7.296 0.02 1 544 94 94 MET HE H 1.773 0.02 1 545 94 94 MET C C 176.983 0.2 1 546 94 94 MET CA C 56.743 0.2 1 547 94 94 MET CB C 30.198 0.2 1 548 94 94 MET CE C 17.956 0.2 1 549 94 94 MET N N 121.415 0.2 1 550 95 95 ALA H H 7.946 0.02 1 551 95 95 ALA HB H 1.639 0.02 1 552 95 95 ALA C C 179.962 0.2 1 553 95 95 ALA CA C 54.941 0.2 1 554 95 95 ALA CB C 17.480 0.2 1 555 95 95 ALA N N 122.598 0.2 1 556 96 96 HIS H H 8.062 0.02 1 557 96 96 HIS HD2 H 7.029 0.02 1 558 96 96 HIS HE1 H 7.763 0.02 1 559 96 96 HIS C C 176.978 0.2 1 560 96 96 HIS CA C 59.016 0.2 1 561 96 96 HIS CD2 C 119.253 0.2 1 562 96 96 HIS CE1 C 139.384 0.2 1 563 96 96 HIS N N 118.868 0.2 1 564 97 97 CYS H H 7.945 0.02 1 565 97 97 CYS C C 176.405 0.2 1 566 97 97 CYS CA C 61.729 0.2 1 567 97 97 CYS N N 123.952 0.2 1 568 98 98 LEU H H 7.947 0.02 1 569 98 98 LEU HD1 H 0.300 0.02 2 570 98 98 LEU HD2 H 0.480 0.02 2 571 98 98 LEU C C 177.906 0.2 1 572 98 98 LEU CA C 57.013 0.2 1 573 98 98 LEU CB C 40.922 0.2 1 574 98 98 LEU CD1 C 21.949 0.2 2 575 98 98 LEU CD2 C 25.102 0.2 2 576 98 98 LEU N N 117.377 0.2 1 577 99 99 GLY H H 7.713 0.02 1 578 99 99 GLY C C 172.886 0.2 1 579 99 99 GLY CA C 44.786 0.2 1 580 99 99 GLY N N 102.317 0.2 1 581 100 100 ALA H H 7.535 0.02 1 582 100 100 ALA HB H 0.798 0.02 1 583 100 100 ALA C C 176.044 0.2 1 584 100 100 ALA CA C 52.991 0.2 1 585 100 100 ALA CB C 20.200 0.2 1 586 100 100 ALA N N 120.517 0.2 1 587 101 101 TYR H H 7.203 0.02 1 588 101 101 TYR HD1 H 7.245 0.02 3 589 101 101 TYR HE1 H 6.426 0.02 3 590 101 101 TYR C C 180.157 0.2 1 591 101 101 TYR CA C 61.534 0.2 1 592 101 101 TYR CD1 C 131.579 0.2 3 593 101 101 TYR CE1 C 116.427 0.2 3 594 101 101 TYR N N 122.129 0.2 1 595 102 102 CYS H H 8.560 0.02 1 596 102 102 CYS C C 175.364 0.2 1 597 102 102 CYS CA C 65.301 0.2 1 598 102 102 CYS CB C 25.566 0.2 1 599 102 102 CYS N N 115.256 0.2 1 600 105 105 ILE H H 7.291 0.02 1 601 105 105 ILE HD1 H 0.814 0.02 1 602 105 105 ILE CA C 62.773 0.2 1 603 105 105 ILE CB C 36.628 0.2 1 604 105 105 ILE CD1 C 14.880 0.2 1 605 105 105 ILE N N 119.950 0.2 1 606 106 106 LEU HD1 H 0.597 0.02 2 607 106 106 LEU HD2 H 0.778 0.02 2 608 106 106 LEU CD1 C 22.745 0.2 2 609 106 106 LEU CD2 C 25.541 0.2 2 610 107 107 PHE HD1 H 7.173 0.02 3 611 107 107 PHE HE1 H 7.296 0.02 3 612 107 107 PHE CD1 C 131.967 0.2 3 613 107 107 PHE CE1 C 130.589 0.2 3 614 108 108 PRO C C 179.330 0.2 1 615 108 108 PRO CA C 66.012 0.2 1 616 109 109 TYR H H 7.153 0.02 1 617 109 109 TYR HD1 H 7.443 0.02 3 618 109 109 TYR HE1 H 6.050 0.02 3 619 109 109 TYR C C 177.712 0.2 1 620 109 109 TYR CA C 60.746 0.2 1 621 109 109 TYR CB C 36.191 0.2 1 622 109 109 TYR CD1 C 131.821 0.2 3 623 109 109 TYR CE1 C 118.338 0.2 3 624 109 109 TYR N N 116.895 0.2 1 625 110 110 ALA H H 7.381 0.02 1 626 110 110 ALA HB H 1.292 0.02 1 627 110 110 ALA C C 178.384 0.2 1 628 110 110 ALA CA C 54.478 0.2 1 629 110 110 ALA CB C 17.568 0.2 1 630 110 110 ALA N N 123.375 0.2 1 631 111 111 ARG H H 8.589 0.02 1 632 111 111 ARG C C 178.035 0.2 1 633 111 111 ARG CA C 58.585 0.2 1 634 111 111 ARG CB C 29.288 0.2 1 635 111 111 ARG N N 116.850 0.2 1 636 112 112 GLU H H 6.702 0.02 1 637 112 112 GLU C C 176.335 0.2 1 638 112 112 GLU CA C 58.992 0.2 1 639 112 112 GLU CB C 28.113 0.2 1 640 112 112 GLU N N 118.859 0.2 1 641 113 113 CYS H H 7.233 0.02 1 642 113 113 CYS C C 176.798 0.2 1 643 113 113 CYS CA C 62.294 0.2 1 644 113 113 CYS CB C 26.003 0.2 1 645 113 113 CYS N N 120.275 0.2 1 646 114 114 ILE H H 7.890 0.02 1 647 114 114 ILE HD1 H 0.728 0.02 1 648 114 114 ILE C C 177.339 0.2 1 649 114 114 ILE CA C 64.732 0.2 1 650 114 114 ILE CB C 35.609 0.2 1 651 114 114 ILE CD1 C 13.098 0.2 1 652 114 114 ILE N N 119.107 0.2 1 653 115 115 THR H H 8.646 0.02 1 654 115 115 THR C C 177.974 0.2 1 655 115 115 THR CA C 66.500 0.2 1 656 115 115 THR CB C 68.432 0.2 1 657 115 115 THR N N 116.344 0.2 1 658 116 116 SER H H 8.487 0.02 1 659 116 116 SER C C 176.258 0.2 1 660 116 116 SER CA C 61.498 0.2 1 661 116 116 SER CB C 62.246 0.2 1 662 116 116 SER N N 117.023 0.2 1 663 117 117 MET H H 7.902 0.02 1 664 117 117 MET HE H 1.981 0.02 1 665 117 117 MET CA C 58.006 0.2 1 666 117 117 MET CB C 32.407 0.2 1 667 117 117 MET CE C 18.652 0.2 1 668 117 117 MET N N 120.866 0.2 1 669 118 118 VAL H H 7.876 0.02 1 670 118 118 VAL HG1 H 0.623 0.02 2 671 118 118 VAL HG2 H 0.483 0.02 2 672 118 118 VAL C C 178.548 0.2 1 673 118 118 VAL CA C 66.500 0.2 1 674 118 118 VAL CB C 29.961 0.2 1 675 118 118 VAL CG1 C 20.909 0.2 2 676 118 118 VAL CG2 C 23.762 0.2 2 677 118 118 VAL N N 119.020 0.2 1 678 119 119 SER H H 7.701 0.02 1 679 119 119 SER CA C 61.149 0.2 1 680 119 119 SER CB C 62.431 0.2 1 681 119 119 SER N N 114.027 0.2 1 682 120 120 ARG C C 179.430 0.2 1 683 121 121 GLY H H 7.756 0.02 1 684 121 121 GLY C C 172.146 0.2 1 685 121 121 GLY CA C 45.505 0.2 1 686 121 121 GLY N N 107.166 0.2 1 687 122 122 THR H H 7.822 0.02 1 688 122 122 THR HG2 H 1.143 0.02 1 689 122 122 THR C C 173.113 0.2 1 690 122 122 THR CA C 62.245 0.2 1 691 122 122 THR CB C 67.777 0.2 1 692 122 122 THR CG2 C 21.115 0.2 1 693 122 122 THR N N 112.150 0.2 1 694 123 123 PHE H H 7.114 0.02 1 695 123 123 PHE HD1 H 6.502 0.02 3 696 123 123 PHE HE1 H 7.398 0.02 3 697 123 123 PHE C C 172.174 0.2 1 698 123 123 PHE CA C 57.424 0.2 1 699 123 123 PHE CB C 37.720 0.2 1 700 123 123 PHE CD1 C 133.907 0.2 3 701 123 123 PHE CE1 C 130.807 0.2 3 702 123 123 PHE N N 119.139 0.2 1 703 124 124 PRO C C 173.875 0.2 1 704 124 124 PRO CA C 62.167 0.2 1 705 124 124 PRO CB C 30.878 0.2 1 706 125 125 GLN H H 7.584 0.02 1 707 125 125 GLN C C 176.157 0.2 1 708 125 125 GLN CA C 55.970 0.2 1 709 125 125 GLN CB C 29.350 0.2 1 710 125 125 GLN N N 116.864 0.2 1 711 126 126 LEU H H 8.124 0.02 1 712 126 126 LEU HD1 H 1.056 0.02 2 713 126 126 LEU HD2 H 0.978 0.02 2 714 126 126 LEU C C 175.138 0.2 1 715 126 126 LEU CA C 53.490 0.2 1 716 126 126 LEU CB C 42.537 0.2 1 717 126 126 LEU CD1 C 24.198 0.2 2 718 126 126 LEU CD2 C 26.061 0.2 2 719 126 126 LEU N N 127.363 0.2 1 720 127 127 ASN H H 8.939 0.02 1 721 127 127 ASN C C 174.230 0.2 1 722 127 127 ASN CA C 50.506 0.2 1 723 127 127 ASN CB C 39.321 0.2 1 724 127 127 ASN N N 126.780 0.2 1 725 128 128 LEU H H 8.235 0.02 1 726 128 128 LEU HD1 H 0.899 0.02 2 727 128 128 LEU HD2 H 0.869 0.02 2 728 128 128 LEU C C 176.912 0.2 1 729 128 128 LEU CA C 55.061 0.2 1 730 128 128 LEU CB C 41.723 0.2 1 731 128 128 LEU CD1 C 23.364 0.2 2 732 128 128 LEU CD2 C 25.415 0.2 2 733 128 128 LEU N N 121.930 0.2 1 734 129 129 ALA H H 8.799 0.02 1 735 129 129 ALA HB H 1.357 0.02 1 736 129 129 ALA C C 175.106 0.2 1 737 129 129 ALA CA C 50.749 0.2 1 738 129 129 ALA CB C 17.526 0.2 1 739 129 129 ALA N N 128.283 0.2 1 740 130 130 PRO C C 175.826 0.2 1 741 130 130 PRO CA C 62.864 0.2 1 742 131 131 VAL H H 6.188 0.02 1 743 131 131 VAL HG1 H -0.284 0.02 2 744 131 131 VAL HG2 H 0.262 0.02 2 745 131 131 VAL C C 174.344 0.2 1 746 131 131 VAL CA C 60.492 0.2 1 747 131 131 VAL CB C 32.916 0.2 1 748 131 131 VAL CG1 C 19.860 0.2 2 749 131 131 VAL CG2 C 20.931 0.2 2 750 131 131 VAL N N 122.014 0.2 1 751 132 132 ASN C C 175.868 0.2 1 752 132 132 ASN CA C 52.424 0.2 1 753 133 133 PHE H H 8.623 0.02 1 754 133 133 PHE HD1 H 7.096 0.02 3 755 133 133 PHE HE1 H 7.229 0.02 3 756 133 133 PHE C C 177.938 0.2 1 757 133 133 PHE CA C 62.496 0.2 1 758 133 133 PHE CB C 38.739 0.2 1 759 133 133 PHE CD1 C 134.263 0.2 3 760 133 133 PHE CE1 C 130.083 0.2 3 761 133 133 PHE N N 124.868 0.2 1 762 134 134 ASP H H 8.150 0.02 1 763 134 134 ASP C C 178.149 0.2 1 764 134 134 ASP CA C 57.886 0.2 1 765 134 134 ASP CB C 39.394 0.2 1 766 134 134 ASP N N 121.946 0.2 1 767 135 135 ALA H H 7.341 0.02 1 768 135 135 ALA HB H 1.361 0.02 1 769 135 135 ALA C C 180.141 0.2 1 770 135 135 ALA CA C 53.759 0.2 1 771 135 135 ALA CB C 17.989 0.2 1 772 135 135 ALA N N 122.505 0.2 1 773 136 136 LEU H H 7.364 0.02 1 774 136 136 LEU HD1 H 0.791 0.02 2 775 136 136 LEU HD2 H 0.665 0.02 2 776 136 136 LEU C C 179.201 0.2 1 777 136 136 LEU CA C 57.253 0.2 1 778 136 136 LEU CB C 40.922 0.2 1 779 136 136 LEU CD1 C 23.377 0.2 2 780 136 136 LEU CD2 C 24.803 0.2 2 781 136 136 LEU N N 118.762 0.2 1 782 137 137 PHE H H 8.138 0.02 1 783 137 137 PHE HD1 H 7.000 0.02 3 784 137 137 PHE HE1 H 7.101 0.02 3 785 137 137 PHE C C 176.876 0.2 1 786 137 137 PHE CA C 60.232 0.2 1 787 137 137 PHE CB C 38.739 0.2 1 788 137 137 PHE CD1 C 131.214 0.2 3 789 137 137 PHE CE1 C 130.490 0.2 3 790 137 137 PHE N N 120.795 0.2 1 791 138 138 MET H H 7.997 0.02 1 792 138 138 MET HE H 2.086 0.02 1 793 138 138 MET C C 178.376 0.2 1 794 138 138 MET CA C 57.245 0.2 1 795 138 138 MET CB C 30.806 0.2 1 796 138 138 MET CE C 16.805 0.2 1 797 138 138 MET N N 118.067 0.2 1 798 139 139 ASN H H 7.903 0.02 1 799 139 139 ASN C C 176.756 0.2 1 800 139 139 ASN CA C 55.232 0.2 1 801 139 139 ASN CB C 37.720 0.2 1 802 139 139 ASN N N 118.245 0.2 1 803 140 140 TYR H H 7.736 0.02 1 804 140 140 TYR HD1 H 7.028 0.02 3 805 140 140 TYR HE1 H 6.844 0.02 3 806 140 140 TYR C C 177.339 0.2 1 807 140 140 TYR CA C 59.722 0.2 1 808 140 140 TYR CB C 36.701 0.2 1 809 140 140 TYR CD1 C 133.249 0.2 3 810 140 140 TYR CE1 C 118.224 0.2 3 811 140 140 TYR N N 121.729 0.2 1 812 141 141 LEU H H 7.829 0.02 1 813 141 141 LEU HD1 H 0.728 0.02 2 814 141 141 LEU HD2 H 0.784 0.02 2 815 141 141 LEU C C 179.201 0.2 1 816 141 141 LEU CA C 56.294 0.2 1 817 141 141 LEU CB C 40.849 0.2 1 818 141 141 LEU CD1 C 22.771 0.2 2 819 141 141 LEU CD2 C 25.241 0.2 2 820 141 141 LEU N N 120.839 0.2 1 821 142 142 GLN H H 7.776 0.02 1 822 142 142 GLN C C 177.258 0.2 1 823 142 142 GLN CA C 56.827 0.2 1 824 142 142 GLN CB C 27.604 0.2 1 825 142 142 GLN N N 118.815 0.2 1 826 143 143 GLN H H 7.799 0.02 1 827 143 143 GLN C C 176.983 0.2 1 828 143 143 GLN CA C 56.483 0.2 1 829 143 143 GLN CB C 27.639 0.2 1 830 143 143 GLN N N 119.651 0.2 1 831 144 144 GLN H H 7.835 0.02 1 832 144 144 GLN C C 176.157 0.2 1 833 144 144 GLN CA C 55.744 0.2 1 834 144 144 GLN CB C 28.113 0.2 1 835 144 144 GLN N N 119.704 0.2 1 836 145 145 ALA H H 7.829 0.02 1 837 145 145 ALA HB H 1.391 0.02 1 838 145 145 ALA C C 178.262 0.2 1 839 145 145 ALA CA C 52.702 0.2 1 840 145 145 ALA CB C 18.927 0.2 1 841 145 145 ALA N N 124.024 0.2 1 842 146 146 GLY H H 7.779 0.02 1 843 146 146 GLY C C 174.165 0.2 1 844 146 146 GLY CA C 44.752 0.2 1 845 146 146 GLY N N 107.262 0.2 1 846 147 147 GLU H H 8.111 0.02 1 847 147 147 GLU C C 177.096 0.2 1 848 147 147 GLU CA C 56.212 0.2 1 849 147 147 GLU CB C 29.205 0.2 1 850 147 147 GLU N N 121.198 0.2 1 851 148 148 GLY H H 8.369 0.02 1 852 148 148 GLY C C 174.408 0.2 1 853 148 148 GLY CA C 44.992 0.2 1 854 148 148 GLY N N 110.506 0.2 1 855 149 149 THR H H 7.883 0.02 1 856 149 149 THR HG2 H 1.171 0.02 1 857 149 149 THR C C 174.570 0.2 1 858 149 149 THR CA C 61.240 0.2 1 859 149 149 THR CB C 69.160 0.2 1 860 149 149 THR CG2 C 21.446 0.2 1 861 149 149 THR N N 113.739 0.2 1 862 150 150 GLU H H 8.359 0.02 1 863 150 150 GLU C C 176.288 0.2 1 864 150 150 GLU CA C 56.016 0.2 1 865 150 150 GLU CB C 29.205 0.2 1 866 150 150 GLU N N 123.574 0.2 1 867 151 151 GLU H H 8.231 0.02 1 868 151 151 GLU C C 176.157 0.2 1 869 151 151 GLU CA C 55.994 0.2 1 870 151 151 GLU CB C 29.496 0.2 1 871 151 151 GLU N N 122.426 0.2 1 872 152 152 HIS HD2 H 7.109 0.02 1 873 152 152 HIS HE1 H 8.154 0.02 1 874 152 152 HIS CD2 C 120.005 0.2 1 875 152 152 HIS CE1 C 137.608 0.2 1 876 153 153 GLN C C 175.430 0.2 1 877 153 153 GLN CA C 55.243 0.2 1 878 153 153 GLN CB C 29.125 0.2 1 879 154 154 ASP H H 8.372 0.02 1 880 154 154 ASP CA C 54.273 0.2 1 881 154 154 ASP CB C 40.673 0.2 1 882 154 154 ASP N N 122.845 0.2 1 883 155 155 ALA H H 7.690 0.02 1 884 155 155 ALA HB H 1.296 0.02 1 885 155 155 ALA CB C 20.138 0.2 1 886 155 155 ALA N N 129.862 0.2 1 stop_ save_ save_assigned_chemical_shifts_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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, chain 4' _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 HE H 2.041 0.02 1 2 1 1 MET CE C 16.906 0.2 1 3 2 2 SER H H 8.028 0.02 1 4 2 2 SER C C 174.344 0.2 1 5 2 2 SER CA C 61.744 0.2 1 6 2 2 SER CB C 69.087 0.2 1 7 2 2 SER N N 115.131 0.2 1 8 9 9 MET H H 7.914 0.02 1 9 9 9 MET HE H 1.923 0.02 1 10 9 9 MET C C 175.590 0.2 1 11 9 9 MET CA C 55.302 0.2 1 12 9 9 MET CB C 32.407 0.2 1 13 9 9 MET CE C 17.165 0.2 1 14 9 9 MET N N 120.990 0.2 1 15 10 10 THR H H 8.569 0.02 1 16 10 10 THR HG2 H 1.184 0.02 1 17 10 10 THR C C 172.598 0.2 1 18 10 10 THR CA C 61.731 0.2 1 19 10 10 THR CB C 69.596 0.2 1 20 10 10 THR CG2 C 21.586 0.2 1 21 10 10 THR N N 120.846 0.2 1 22 11 11 PHE H H 8.405 0.02 1 23 11 11 PHE HD1 H 6.617 0.02 3 24 11 11 PHE HE1 H 7.451 0.02 3 25 11 11 PHE HZ H 7.064 0.02 1 26 11 11 PHE C C 174.620 0.2 1 27 11 11 PHE CA C 57.247 0.2 1 28 11 11 PHE CB C 44.270 0.2 1 29 11 11 PHE CD1 C 130.272 0.2 3 30 11 11 PHE CE1 C 131.752 0.2 3 31 11 11 PHE N N 127.497 0.2 1 32 12 12 GLN H H 8.613 0.02 1 33 12 12 GLN C C 174.426 0.2 1 34 12 12 GLN CA C 53.987 0.2 1 35 12 12 GLN CB C 31.898 0.2 1 36 12 12 GLN N N 126.720 0.2 1 37 13 13 ILE H H 8.846 0.02 1 38 13 13 ILE HD1 H 1.084 0.02 1 39 13 13 ILE C C 175.705 0.2 1 40 13 13 ILE CA C 61.288 0.2 1 41 13 13 ILE CB C 33.426 0.2 1 42 13 13 ILE CD1 C 14.307 0.2 1 43 13 13 ILE N N 125.698 0.2 1 44 14 14 GLN H H 8.718 0.02 1 45 14 14 GLN C C 176.077 0.2 1 46 14 14 GLN CA C 56.993 0.2 1 47 14 14 GLN CB C 27.676 0.2 1 48 14 14 GLN N N 126.919 0.2 1 49 15 15 ARG H H 7.043 0.02 1 50 15 15 ARG C C 173.340 0.2 1 51 15 15 ARG CA C 55.988 0.2 1 52 15 15 ARG CB C 33.426 0.2 1 53 15 15 ARG N N 118.644 0.2 1 54 16 16 ILE H H 8.267 0.02 1 55 16 16 ILE HD1 H 0.302 0.02 1 56 16 16 ILE C C 174.636 0.2 1 57 16 16 ILE CA C 60.243 0.2 1 58 16 16 ILE CB C 39.321 0.2 1 59 16 16 ILE CD1 C 12.159 0.2 1 60 16 16 ILE N N 126.029 0.2 1 61 17 17 TYR H H 7.776 0.02 1 62 17 17 TYR HD1 H 7.143 0.02 3 63 17 17 TYR HE1 H 6.809 0.02 3 64 17 17 TYR C C 172.903 0.2 1 65 17 17 TYR CA C 54.864 0.2 1 66 17 17 TYR CB C 40.385 0.2 1 67 17 17 TYR CD1 C 131.940 0.2 3 68 17 17 TYR CE1 C 118.242 0.2 3 69 17 17 TYR N N 121.637 0.2 1 70 18 18 THR H H 8.391 0.02 1 71 18 18 THR HG2 H 1.241 0.02 1 72 18 18 THR C C 174.179 0.2 1 73 18 18 THR CA C 61.740 0.2 1 74 18 18 THR CB C 68.359 0.2 1 75 18 18 THR CG2 C 21.539 0.2 1 76 18 18 THR N N 118.178 0.2 1 77 19 19 LYS H H 8.529 0.02 1 78 19 19 LYS C C 174.781 0.2 1 79 19 19 LYS CA C 57.498 0.2 1 80 19 19 LYS CB C 31.825 0.2 1 81 19 19 LYS N N 123.939 0.2 1 82 20 20 ASP H H 7.356 0.02 1 83 20 20 ASP C C 174.699 0.2 1 84 20 20 ASP CA C 53.494 0.2 1 85 20 20 ASP CB C 44.124 0.2 1 86 20 20 ASP N N 115.929 0.2 1 87 21 21 ILE H H 9.488 0.02 1 88 21 21 ILE HD1 H 0.784 0.02 1 89 21 21 ILE C C 175.295 0.2 1 90 21 21 ILE CA C 60.993 0.2 1 91 21 21 ILE CB C 42.523 0.2 1 92 21 21 ILE CD1 C 14.908 0.2 1 93 21 21 ILE N N 124.158 0.2 1 94 22 22 SER H H 9.257 0.02 1 95 22 22 SER C C 172.823 0.2 1 96 22 22 SER CA C 57.255 0.2 1 97 22 22 SER CB C 64.793 0.2 1 98 22 22 SER N N 121.862 0.2 1 99 23 23 PHE H H 9.269 0.02 1 100 23 23 PHE HD1 H 6.087 0.02 3 101 23 23 PHE HE1 H 6.985 0.02 3 102 23 23 PHE C C 173.644 0.2 1 103 23 23 PHE CA C 56.748 0.2 1 104 23 23 PHE CB C 42.523 0.2 1 105 23 23 PHE CD1 C 132.374 0.2 3 106 23 23 PHE CE1 C 130.257 0.2 3 107 23 23 PHE N N 127.331 0.2 1 108 24 24 GLU H H 8.099 0.02 1 109 24 24 GLU C C 173.632 0.2 1 110 24 24 GLU CA C 54.994 0.2 1 111 24 24 GLU CB C 32.989 0.2 1 112 24 24 GLU N N 125.441 0.2 1 113 25 25 ALA H H 7.931 0.02 1 114 25 25 ALA HB H 1.698 0.02 1 115 25 25 ALA C C 175.316 0.2 1 116 25 25 ALA CA C 48.487 0.2 1 117 25 25 ALA CB C 19.829 0.2 1 118 25 25 ALA N N 125.875 0.2 1 119 26 26 PRO C C 177.381 0.2 1 120 27 27 ASN H H 9.029 0.02 1 121 27 27 ASN C C 175.785 0.2 1 122 27 27 ASN CA C 51.499 0.2 1 123 27 27 ASN CB C 38.302 0.2 1 124 27 27 ASN N N 114.703 0.2 1 125 28 28 ALA H H 7.409 0.02 1 126 28 28 ALA HB H 1.139 0.02 1 127 28 28 ALA C C 175.575 0.2 1 128 28 28 ALA CA C 50.744 0.2 1 129 28 28 ALA CB C 17.998 0.2 1 130 28 28 ALA N N 124.439 0.2 1 131 29 29 PRO C C 174.506 0.2 1 132 29 29 PRO CA C 60.254 0.2 1 133 29 29 PRO CB C 30.988 0.2 1 134 30 30 HIS H H 7.632 0.02 1 135 30 30 HIS HD2 H 6.993 0.02 1 136 30 30 HIS HE1 H 7.826 0.02 1 137 30 30 HIS C C 178.802 0.2 1 138 30 30 HIS CA C 59.161 0.2 1 139 30 30 HIS CB C 28.939 0.2 1 140 30 30 HIS CD2 C 119.863 0.2 1 141 30 30 HIS CE1 C 138.452 0.2 1 142 30 30 HIS N N 118.421 0.2 1 143 31 31 VAL H H 7.660 0.02 1 144 31 31 VAL HG1 H 0.465 0.02 2 145 31 31 VAL HG2 H 1.133 0.02 2 146 31 31 VAL C C 175.801 0.2 1 147 31 31 VAL CA C 62.771 0.2 1 148 31 31 VAL CB C 30.806 0.2 1 149 31 31 VAL CG1 C 19.189 0.2 2 150 31 31 VAL CG2 C 21.720 0.2 2 151 31 31 VAL N N 116.392 0.2 1 152 32 32 PHE H H 6.942 0.02 1 153 32 32 PHE HD1 H 6.799 0.02 3 154 32 32 PHE HE1 H 7.017 0.02 3 155 32 32 PHE C C 176.643 0.2 1 156 32 32 PHE CA C 56.740 0.2 1 157 32 32 PHE CB C 36.119 0.2 1 158 32 32 PHE CD1 C 132.954 0.2 3 159 32 32 PHE CE1 C 130.974 0.2 3 160 32 32 PHE N N 119.499 0.2 1 161 33 33 GLN H H 7.405 0.02 1 162 33 33 GLN C C 176.270 0.2 1 163 33 33 GLN CA C 55.394 0.2 1 164 33 33 GLN CB C 28.259 0.2 1 165 33 33 GLN N N 114.878 0.2 1 166 34 34 LYS H H 7.090 0.02 1 167 34 34 LYS C C 176.513 0.2 1 168 34 34 LYS CA C 55.213 0.2 1 169 34 34 LYS CB C 32.407 0.2 1 170 34 34 LYS N N 119.111 0.2 1 171 35 35 ASP H H 8.409 0.02 1 172 35 35 ASP C C 176.676 0.2 1 173 35 35 ASP CA C 54.501 0.2 1 174 35 35 ASP CB C 39.903 0.2 1 175 35 35 ASP N N 122.851 0.2 1 176 36 36 TRP H H 8.661 0.02 1 177 36 36 TRP HD1 H 7.267 0.02 1 178 36 36 TRP HE1 H 10.355 0.02 1 179 36 36 TRP HE3 H 7.982 0.02 1 180 36 36 TRP HZ3 H 6.957 0.02 1 181 36 36 TRP C C 173.810 0.2 1 182 36 36 TRP CA C 56.227 0.2 1 183 36 36 TRP CB C 27.676 0.2 1 184 36 36 TRP CD1 C 128.561 0.2 1 185 36 36 TRP CE3 C 122.168 0.2 1 186 36 36 TRP CZ3 C 121.039 0.2 1 187 36 36 TRP N N 126.402 0.2 1 188 36 36 TRP NE1 N 131.154 0.2 1 189 37 37 GLN H H 6.275 0.02 1 190 37 37 GLN C C 172.239 0.2 1 191 37 37 GLN CA C 52.252 0.2 1 192 37 37 GLN CB C 27.895 0.2 1 193 37 37 GLN N N 125.936 0.2 1 194 38 38 PRO C C 176.823 0.2 1 195 38 38 PRO CA C 62.411 0.2 1 196 38 38 PRO CB C 30.880 0.2 1 197 39 39 GLU H H 8.399 0.02 1 198 39 39 GLU C C 175.704 0.2 1 199 39 39 GLU CA C 55.247 0.2 1 200 39 39 GLU CB C 30.296 0.2 1 201 39 39 GLU N N 121.098 0.2 1 202 40 40 VAL H H 8.586 0.02 1 203 40 40 VAL HG1 H 0.737 0.02 2 204 40 40 VAL HG2 H 0.779 0.02 2 205 40 40 VAL C C 174.960 0.2 1 206 40 40 VAL CA C 61.241 0.2 1 207 40 40 VAL CB C 32.407 0.2 1 208 40 40 VAL CG1 C 20.787 0.2 2 209 40 40 VAL CG2 C 21.310 0.2 2 210 40 40 VAL N N 127.833 0.2 1 211 41 41 LYS H H 8.788 0.02 1 212 41 41 LYS C C 174.150 0.2 1 213 41 41 LYS CA C 54.497 0.2 1 214 41 41 LYS CB C 33.499 0.2 1 215 41 41 LYS N N 129.949 0.2 1 216 42 42 LEU H H 8.453 0.02 1 217 42 42 LEU HD1 H 0.941 0.02 2 218 42 42 LEU HD2 H 0.994 0.02 2 219 42 42 LEU C C 175.050 0.2 1 220 42 42 LEU CA C 53.245 0.2 1 221 42 42 LEU CB C 44.634 0.2 1 222 42 42 LEU CD1 C 26.197 0.2 2 223 42 42 LEU CD2 C 25.762 0.2 2 224 42 42 LEU N N 127.698 0.2 1 225 43 43 ASP H H 9.126 0.02 1 226 43 43 ASP C C 173.761 0.2 1 227 43 43 ASP CA C 53.243 0.2 1 228 43 43 ASP CB C 44.529 0.2 1 229 43 43 ASP N N 126.654 0.2 1 230 44 44 LEU H H 8.271 0.02 1 231 44 44 LEU HD1 H 0.824 0.02 2 232 44 44 LEU HD2 H 1.007 0.02 2 233 44 44 LEU C C 175.799 0.2 1 234 44 44 LEU CA C 53.699 0.2 1 235 44 44 LEU CB C 45.143 0.2 1 236 44 44 LEU CD1 C 26.601 0.2 2 237 44 44 LEU CD2 C 26.759 0.2 2 238 44 44 LEU N N 122.340 0.2 1 239 45 45 ASP H H 8.872 0.02 1 240 45 45 ASP C C 174.101 0.2 1 241 45 45 ASP CA C 53.485 0.2 1 242 45 45 ASP CB C 44.124 0.2 1 243 45 45 ASP N N 120.255 0.2 1 244 46 46 THR H H 8.336 0.02 1 245 46 46 THR HG2 H 1.122 0.02 1 246 46 46 THR C C 172.174 0.2 1 247 46 46 THR CA C 59.490 0.2 1 248 46 46 THR CB C 70.615 0.2 1 249 46 46 THR CG2 C 20.838 0.2 1 250 46 46 THR N N 114.580 0.2 1 251 47 47 ALA H H 8.457 0.02 1 252 47 47 ALA HB H 1.434 0.02 1 253 47 47 ALA C C 175.365 0.2 1 254 47 47 ALA CA C 50.985 0.2 1 255 47 47 ALA CB C 22.904 0.2 1 256 47 47 ALA N N 126.382 0.2 1 257 48 48 SER H H 8.397 0.02 1 258 48 48 SER C C 173.923 0.2 1 259 48 48 SER CA C 56.739 0.2 1 260 48 48 SER CB C 66.904 0.2 1 261 48 48 SER N N 113.325 0.2 1 262 49 49 SER H H 9.134 0.02 1 263 49 49 SER C C 172.530 0.2 1 264 49 49 SER CA C 57.409 0.2 1 265 49 49 SER CB C 65.302 0.2 1 266 49 49 SER N N 114.664 0.2 1 267 50 50 GLN H H 8.832 0.02 1 268 50 50 GLN C C 175.591 0.2 1 269 50 50 GLN CA C 55.746 0.2 1 270 50 50 GLN CB C 28.113 0.2 1 271 50 50 GLN N N 125.426 0.2 1 272 51 51 LEU H H 8.773 0.02 1 273 51 51 LEU HD1 H 0.754 0.02 2 274 51 51 LEU HD2 H 0.718 0.02 2 275 51 51 LEU C C 176.579 0.2 1 276 51 51 LEU CA C 55.247 0.2 1 277 51 51 LEU CB C 41.941 0.2 1 278 51 51 LEU CD1 C 26.174 0.2 2 279 51 51 LEU CD2 C 22.304 0.2 2 280 51 51 LEU N N 128.962 0.2 1 281 52 52 ALA H H 8.067 0.02 1 282 52 52 ALA HB H 1.344 0.02 1 283 52 52 ALA C C 176.417 0.2 1 284 52 52 ALA CA C 50.471 0.2 1 285 52 52 ALA CB C 20.370 0.2 1 286 52 52 ALA N N 120.947 0.2 1 287 53 53 ASP H H 8.330 0.02 1 288 53 53 ASP C C 175.882 0.2 1 289 53 53 ASP CA C 57.247 0.2 1 290 53 53 ASP CB C 39.321 0.2 1 291 53 53 ASP N N 120.003 0.2 1 292 54 54 ASP H H 8.272 0.02 1 293 54 54 ASP C C 174.295 0.2 1 294 54 54 ASP CA C 53.999 0.2 1 295 54 54 ASP CB C 39.539 0.2 1 296 54 54 ASP N N 115.748 0.2 1 297 55 55 VAL H H 7.164 0.02 1 298 55 55 VAL HG1 H 0.757 0.02 2 299 55 55 VAL HG2 H 0.847 0.02 2 300 55 55 VAL C C 174.522 0.2 1 301 55 55 VAL CA C 61.742 0.2 1 302 55 55 VAL CB C 33.426 0.2 1 303 55 55 VAL CG1 C 22.446 0.2 2 304 55 55 VAL CG2 C 20.909 0.2 2 305 55 55 VAL N N 118.775 0.2 1 306 56 56 TYR H H 9.182 0.02 1 307 56 56 TYR HD1 H 7.036 0.02 3 308 56 56 TYR HE1 H 6.916 0.02 3 309 56 56 TYR C C 174.975 0.2 1 310 56 56 TYR CA C 56.497 0.2 1 311 56 56 TYR CB C 41.504 0.2 1 312 56 56 TYR CD1 C 131.918 0.2 3 313 56 56 TYR CE1 C 117.545 0.2 3 314 56 56 TYR N N 126.262 0.2 1 315 57 57 GLU H H 9.275 0.02 1 316 57 57 GLU C C 176.270 0.2 1 317 57 57 GLU CA C 53.996 0.2 1 318 57 57 GLU CB C 31.388 0.2 1 319 57 57 GLU N N 123.036 0.2 1 320 58 58 VAL H H 9.062 0.02 1 321 58 58 VAL HG1 H 0.806 0.02 2 322 58 58 VAL HG2 H 1.002 0.02 2 323 58 58 VAL C C 173.712 0.2 1 324 58 58 VAL CA C 60.985 0.2 1 325 58 58 VAL CB C 33.499 0.2 1 326 58 58 VAL CG1 C 20.514 0.2 2 327 58 58 VAL CG2 C 21.936 0.2 2 328 58 58 VAL N N 128.561 0.2 1 329 59 59 VAL H H 8.911 0.02 1 330 59 59 VAL HG1 H 0.833 0.02 2 331 59 59 VAL HG2 H 0.750 0.02 2 332 59 59 VAL C C 174.538 0.2 1 333 59 59 VAL CA C 59.772 0.2 1 334 59 59 VAL CB C 33.513 0.2 1 335 59 59 VAL CG1 C 21.289 0.2 2 336 59 59 VAL CG2 C 21.526 0.2 2 337 59 59 VAL N N 124.198 0.2 1 338 60 60 LEU H H 9.166 0.02 1 339 60 60 LEU HD1 H 1.103 0.02 2 340 60 60 LEU HD2 H 1.051 0.02 2 341 60 60 LEU C C 173.340 0.2 1 342 60 60 LEU CA C 52.743 0.2 1 343 60 60 LEU CB C 44.634 0.2 1 344 60 60 LEU CD1 C 23.784 0.2 2 345 60 60 LEU CD2 C 27.492 0.2 2 346 60 60 LEU N N 129.781 0.2 1 347 61 61 ARG H H 9.361 0.02 1 348 61 61 ARG C C 175.105 0.2 1 349 61 61 ARG CA C 53.997 0.2 1 350 61 61 ARG CB C 30.806 0.2 1 351 61 61 ARG N N 131.280 0.2 1 352 62 62 VAL H H 8.851 0.02 1 353 62 62 VAL HG1 H 1.016 0.02 2 354 62 62 VAL HG2 H 0.946 0.02 2 355 62 62 VAL C C 174.246 0.2 1 356 62 62 VAL CA C 60.734 0.2 1 357 62 62 VAL CB C 33.426 0.2 1 358 62 62 VAL CG1 C 20.791 0.2 2 359 62 62 VAL CG2 C 22.091 0.2 2 360 62 62 VAL N N 126.163 0.2 1 361 63 63 THR H H 9.030 0.02 1 362 63 63 THR HG2 H 1.306 0.02 1 363 63 63 THR C C 173.777 0.2 1 364 63 63 THR CA C 61.734 0.2 1 365 63 63 THR CB C 69.596 0.2 1 366 63 63 THR CG2 C 21.561 0.2 1 367 63 63 THR N N 124.158 0.2 1 368 64 64 VAL H H 9.600 0.02 1 369 64 64 VAL HG1 H 0.975 0.02 2 370 64 64 VAL HG2 H 1.055 0.02 2 371 64 64 VAL C C 174.505 0.2 1 372 64 64 VAL CA C 59.993 0.2 1 373 64 64 VAL CB C 34.081 0.2 1 374 64 64 VAL CG1 C 21.814 0.2 2 375 64 64 VAL CG2 C 22.273 0.2 2 376 64 64 VAL N N 127.065 0.2 1 377 65 65 THR H H 8.585 0.02 1 378 65 65 THR HG2 H 1.091 0.02 1 379 65 65 THR C C 172.886 0.2 1 380 65 65 THR CA C 60.979 0.2 1 381 65 65 THR CB C 69.596 0.2 1 382 65 65 THR CG2 C 20.964 0.2 1 383 65 65 THR N N 122.101 0.2 1 384 66 66 ALA H H 8.334 0.02 1 385 66 66 ALA HB H 0.180 0.02 1 386 66 66 ALA C C 175.931 0.2 1 387 66 66 ALA CA C 48.993 0.2 1 388 66 66 ALA CB C 19.631 0.2 1 389 66 66 ALA N N 128.761 0.2 1 390 67 67 SER H H 8.777 0.02 1 391 67 67 SER C C 172.190 0.2 1 392 67 67 SER CA C 57.236 0.2 1 393 67 67 SER CB C 64.793 0.2 1 394 67 67 SER N N 119.611 0.2 1 395 68 68 LEU H H 8.597 0.02 1 396 68 68 LEU HD1 H 0.479 0.02 2 397 68 68 LEU HD2 H 0.971 0.02 2 398 68 68 LEU C C 176.643 0.2 1 399 68 68 LEU CA C 52.243 0.2 1 400 68 68 LEU CB C 40.995 0.2 1 401 68 68 LEU CD1 C 22.636 0.2 2 402 68 68 LEU CD2 C 26.001 0.2 2 403 68 68 LEU N N 124.616 0.2 1 404 69 69 GLY H H 8.653 0.02 1 405 69 69 GLY C C 175.007 0.2 1 406 69 69 GLY CA C 46.498 0.2 1 407 69 69 GLY N N 116.100 0.2 1 408 70 70 GLU H H 8.821 0.02 1 409 70 70 GLU C C 175.939 0.2 1 410 70 70 GLU CA C 56.225 0.2 1 411 70 70 GLU CB C 28.360 0.2 1 412 70 70 GLU N N 125.299 0.2 1 413 71 71 GLU H H 7.585 0.02 1 414 71 71 GLU C C 175.688 0.2 1 415 71 71 GLU CA C 54.478 0.2 1 416 71 71 GLU CB C 31.024 0.2 1 417 71 71 GLU N N 120.136 0.2 1 418 72 72 THR H H 8.637 0.02 1 419 72 72 THR HG2 H 0.907 0.02 1 420 72 72 THR C C 174.149 0.2 1 421 72 72 THR CA C 63.993 0.2 1 422 72 72 THR CB C 68.068 0.2 1 423 72 72 THR CG2 C 21.929 0.2 1 424 72 72 THR N N 122.499 0.2 1 425 73 73 ALA H H 9.516 0.02 1 426 73 73 ALA HB H 1.225 0.02 1 427 73 73 ALA C C 176.472 0.2 1 428 73 73 ALA CA C 52.995 0.2 1 429 73 73 ALA CB C 18.923 0.2 1 430 73 73 ALA N N 132.896 0.2 1 431 74 74 PHE H H 7.232 0.02 1 432 74 74 PHE HD1 H 7.342 0.02 3 433 74 74 PHE HE1 H 7.283 0.02 3 434 74 74 PHE C C 171.818 0.2 1 435 74 74 PHE CA C 56.243 0.2 1 436 74 74 PHE CB C 39.903 0.2 1 437 74 74 PHE CD1 C 132.110 0.2 3 438 74 74 PHE CE1 C 131.283 0.2 3 439 74 74 PHE N N 108.604 0.2 1 440 75 75 LEU H H 8.369 0.02 1 441 75 75 LEU HD1 H 0.822 0.02 2 442 75 75 LEU C C 175.891 0.2 1 443 75 75 LEU CA C 53.770 0.2 1 444 75 75 LEU CB C 44.197 0.2 1 445 75 75 LEU CD1 C 25.172 0.2 2 446 75 75 LEU N N 121.098 0.2 1 447 76 76 CYS H H 9.481 0.02 1 448 76 76 CYS C C 171.818 0.2 1 449 76 76 CYS CA C 56.496 0.2 1 450 76 76 CYS CB C 29.714 0.2 1 451 76 76 CYS N N 123.441 0.2 1 452 77 77 GLU H H 9.516 0.02 1 453 77 77 GLU C C 174.280 0.2 1 454 77 77 GLU CA C 54.684 0.2 1 455 77 77 GLU CB C 32.910 0.2 1 456 77 77 GLU N N 128.770 0.2 1 457 78 78 VAL H H 8.884 0.02 1 458 78 78 VAL HG1 H 1.109 0.02 2 459 78 78 VAL HG2 H 1.127 0.02 2 460 78 78 VAL C C 173.939 0.2 1 461 78 78 VAL CA C 59.243 0.2 1 462 78 78 VAL CB C 33.499 0.2 1 463 78 78 VAL CG1 C 20.643 0.2 2 464 78 78 VAL CG2 C 22.591 0.2 2 465 78 78 VAL N N 123.731 0.2 1 466 79 79 GLN H H 8.762 0.02 1 467 79 79 GLN C C 173.939 0.2 1 468 79 79 GLN CA C 54.781 0.2 1 469 79 79 GLN CB C 28.550 0.2 1 470 79 79 GLN N N 124.576 0.2 1 471 80 80 GLN H H 9.435 0.02 1 472 80 80 GLN C C 173.210 0.2 1 473 80 80 GLN CA C 53.738 0.2 1 474 80 80 GLN CB C 29.205 0.2 1 475 80 80 GLN N N 128.844 0.2 1 476 81 81 GLY H H 9.332 0.02 1 477 81 81 GLY C C 172.061 0.2 1 478 81 81 GLY CA C 42.994 0.2 1 479 81 81 GLY N N 116.406 0.2 1 480 82 82 GLY H H 8.394 0.02 1 481 82 82 GLY C C 171.764 0.2 1 482 82 82 GLY CA C 45.026 0.2 1 483 82 82 GLY N N 105.876 0.2 1 484 83 83 ILE H H 8.194 0.02 1 485 83 83 ILE HD1 H 0.736 0.02 1 486 83 83 ILE C C 177.999 0.2 1 487 83 83 ILE CA C 59.239 0.2 1 488 83 83 ILE CB C 38.811 0.2 1 489 83 83 ILE CD1 C 13.139 0.2 1 490 83 83 ILE N N 121.028 0.2 1 491 84 84 PHE H H 9.314 0.02 1 492 84 84 PHE HD1 H 6.957 0.02 3 493 84 84 PHE HE1 H 7.201 0.02 3 494 84 84 PHE C C 175.007 0.2 1 495 84 84 PHE CA C 55.000 0.2 1 496 84 84 PHE CB C 41.431 0.2 1 497 84 84 PHE CD1 C 132.140 0.2 3 498 84 84 PHE CE1 C 130.699 0.2 3 499 84 84 PHE N N 125.360 0.2 1 500 85 85 SER H H 8.969 0.02 1 501 85 85 SER C C 174.149 0.2 1 502 85 85 SER CA C 56.669 0.2 1 503 85 85 SER CB C 62.755 0.2 1 504 85 85 SER N N 120.826 0.2 1 505 86 86 ILE H H 8.425 0.02 1 506 86 86 ILE HD1 H 0.594 0.02 1 507 86 86 ILE C C 174.037 0.2 1 508 86 86 ILE CA C 60.475 0.2 1 509 86 86 ILE CB C 40.922 0.2 1 510 86 86 ILE CD1 C 14.457 0.2 1 511 86 86 ILE N N 125.857 0.2 1 512 87 87 ALA H H 8.643 0.02 1 513 87 87 ALA HB H 1.426 0.02 1 514 87 87 ALA C C 177.065 0.2 1 515 87 87 ALA CA C 50.756 0.2 1 516 87 87 ALA CB C 22.377 0.2 1 517 87 87 ALA N N 127.905 0.2 1 518 88 88 GLY H H 8.632 0.02 1 519 88 88 GLY C C 173.696 0.2 1 520 88 88 GLY CA C 45.490 0.2 1 521 88 88 GLY N N 107.644 0.2 1 522 89 89 ILE H H 7.213 0.02 1 523 89 89 ILE HD1 H 0.670 0.02 1 524 89 89 ILE C C 174.538 0.2 1 525 89 89 ILE CA C 58.758 0.2 1 526 89 89 ILE CB C 39.830 0.2 1 527 89 89 ILE CD1 C 13.085 0.2 1 528 89 89 ILE N N 114.802 0.2 1 529 90 90 GLU H H 8.521 0.02 1 530 90 90 GLU C C 177.211 0.2 1 531 90 90 GLU CA C 54.994 0.2 1 532 90 90 GLU CB C 31.388 0.2 1 533 90 90 GLU N N 122.432 0.2 1 534 91 91 GLY H H 8.632 0.02 1 535 91 91 GLY C C 176.870 0.2 1 536 91 91 GLY CA C 46.738 0.2 1 537 91 91 GLY N N 109.129 0.2 1 538 92 92 THR HG2 H 1.396 0.02 1 539 92 92 THR C C 176.622 0.2 1 540 92 92 THR CB C 68.468 0.2 1 541 92 92 THR CG2 C 22.215 0.2 1 542 93 93 GLN H H 8.070 0.02 1 543 93 93 GLN C C 178.586 0.2 1 544 93 93 GLN CA C 57.993 0.2 1 545 93 93 GLN CB C 27.604 0.2 1 546 93 93 GLN N N 121.709 0.2 1 547 94 94 MET H H 7.092 0.02 1 548 94 94 MET HE H 1.710 0.02 1 549 94 94 MET C C 176.983 0.2 1 550 94 94 MET CA C 56.743 0.2 1 551 94 94 MET CB C 30.198 0.2 1 552 94 94 MET CE C 17.637 0.2 1 553 94 94 MET N N 121.740 0.2 1 554 95 95 ALA H H 7.908 0.02 1 555 95 95 ALA HB H 1.639 0.02 1 556 95 95 ALA C C 180.545 0.2 1 557 95 95 ALA CA C 54.970 0.2 1 558 95 95 ALA CB C 17.480 0.2 1 559 95 95 ALA N N 122.253 0.2 1 560 96 96 HIS H H 7.965 0.02 1 561 96 96 HIS HD2 H 7.029 0.02 1 562 96 96 HIS HE1 H 7.763 0.02 1 563 96 96 HIS C C 177.453 0.2 1 564 96 96 HIS CA C 59.258 0.2 1 565 96 96 HIS CB C 29.714 0.2 1 566 96 96 HIS CD2 C 119.253 0.2 1 567 96 96 HIS CE1 C 139.384 0.2 1 568 96 96 HIS N N 119.273 0.2 1 569 97 97 CYS H H 7.957 0.02 1 570 97 97 CYS C C 176.044 0.2 1 571 97 97 CYS CA C 61.722 0.2 1 572 97 97 CYS CB C 26.003 0.2 1 573 97 97 CYS N N 124.251 0.2 1 574 98 98 LEU H H 8.068 0.02 1 575 98 98 LEU HD1 H 0.274 0.02 2 576 98 98 LEU HD2 H 0.515 0.02 2 577 98 98 LEU C C 172.886 0.2 1 578 98 98 LEU CA C 57.248 0.2 1 579 98 98 LEU CB C 41.286 0.2 1 580 98 98 LEU CD1 C 21.630 0.2 2 581 98 98 LEU CD2 C 25.042 0.2 2 582 98 98 LEU N N 117.521 0.2 1 583 99 99 GLY H H 7.762 0.02 1 584 99 99 GLY C C 172.886 0.2 1 585 99 99 GLY CA C 44.752 0.2 1 586 99 99 GLY N N 102.530 0.2 1 587 100 100 ALA H H 7.535 0.02 1 588 100 100 ALA HB H 0.798 0.02 1 589 100 100 ALA C C 176.044 0.2 1 590 100 100 ALA CA C 52.991 0.2 1 591 100 100 ALA CB C 20.200 0.2 1 592 100 100 ALA N N 120.517 0.2 1 593 101 101 TYR H H 7.203 0.02 1 594 101 101 TYR HD1 H 7.245 0.02 3 595 101 101 TYR HE1 H 6.426 0.02 3 596 101 101 TYR C C 180.157 0.2 1 597 101 101 TYR CA C 61.534 0.2 1 598 101 101 TYR CD1 C 131.579 0.2 3 599 101 101 TYR CE1 C 116.427 0.2 3 600 101 101 TYR N N 122.129 0.2 1 601 102 102 CYS H H 8.639 0.02 1 602 102 102 CYS C C 175.364 0.2 1 603 102 102 CYS CA C 64.993 0.2 1 604 102 102 CYS CB C 25.275 0.2 1 605 102 102 CYS N N 114.905 0.2 1 606 105 105 ILE H H 7.291 0.02 1 607 105 105 ILE HD1 H 0.762 0.02 1 608 105 105 ILE C C 177.825 0.2 1 609 105 105 ILE CA C 62.773 0.2 1 610 105 105 ILE CB C 36.628 0.2 1 611 105 105 ILE CD1 C 13.717 0.2 1 612 105 105 ILE N N 119.950 0.2 1 613 106 106 LEU HD1 H 0.708 0.02 2 614 106 106 LEU HD2 H 0.827 0.02 2 615 106 106 LEU CD1 C 22.581 0.2 2 616 106 106 LEU CD2 C 25.525 0.2 2 617 107 107 PHE HD1 H 7.173 0.02 3 618 107 107 PHE HE1 H 7.296 0.02 3 619 107 107 PHE CD1 C 131.967 0.2 3 620 107 107 PHE CE1 C 130.589 0.2 3 621 108 108 PRO CA C 66.012 0.2 1 622 109 109 TYR H H 7.153 0.02 1 623 109 109 TYR HD1 H 7.351 0.02 3 624 109 109 TYR HE1 H 5.983 0.02 3 625 109 109 TYR C C 177.712 0.2 1 626 109 109 TYR CA C 60.746 0.2 1 627 109 109 TYR CB C 36.191 0.2 1 628 109 109 TYR CD1 C 131.316 0.2 3 629 109 109 TYR CE1 C 118.521 0.2 3 630 109 109 TYR N N 116.895 0.2 1 631 110 110 ALA H H 7.565 0.02 1 632 110 110 ALA HB H 1.292 0.02 1 633 110 110 ALA C C 178.559 0.2 1 634 110 110 ALA CA C 54.727 0.2 1 635 110 110 ALA CB C 17.568 0.2 1 636 110 110 ALA N N 124.632 0.2 1 637 111 111 ARG H H 8.557 0.02 1 638 111 111 ARG C C 178.035 0.2 1 639 111 111 ARG CA C 59.479 0.2 1 640 111 111 ARG CB C 28.186 0.2 1 641 111 111 ARG N N 116.117 0.2 1 642 112 112 GLU H H 6.702 0.02 1 643 112 112 GLU C C 176.335 0.2 1 644 112 112 GLU CA C 58.992 0.2 1 645 112 112 GLU CB C 28.113 0.2 1 646 112 112 GLU N N 118.859 0.2 1 647 113 113 CYS H H 7.233 0.02 1 648 113 113 CYS C C 176.798 0.2 1 649 113 113 CYS CA C 62.294 0.2 1 650 113 113 CYS CB C 26.003 0.2 1 651 113 113 CYS N N 120.275 0.2 1 652 114 114 ILE H H 7.890 0.02 1 653 114 114 ILE HD1 H 0.748 0.02 1 654 114 114 ILE C C 177.339 0.2 1 655 114 114 ILE CA C 64.732 0.2 1 656 114 114 ILE CB C 35.609 0.2 1 657 114 114 ILE CD1 C 12.614 0.2 1 658 114 114 ILE N N 119.107 0.2 1 659 115 115 THR H H 8.646 0.02 1 660 115 115 THR C C 177.069 0.2 1 661 115 115 THR CA C 66.500 0.2 1 662 115 115 THR CB C 68.432 0.2 1 663 115 115 THR N N 116.344 0.2 1 664 116 116 SER H H 8.356 0.02 1 665 116 116 SER C C 176.258 0.2 1 666 116 116 SER CA C 60.487 0.2 1 667 116 116 SER CB C 62.537 0.2 1 668 116 116 SER N N 117.693 0.2 1 669 117 117 MET H H 7.902 0.02 1 670 117 117 MET HE H 1.981 0.02 1 671 117 117 MET CA C 58.006 0.2 1 672 117 117 MET CB C 32.407 0.2 1 673 117 117 MET CE C 18.652 0.2 1 674 117 117 MET N N 120.866 0.2 1 675 118 118 VAL H H 7.876 0.02 1 676 118 118 VAL HG1 H 0.613 0.02 2 677 118 118 VAL HG2 H 0.591 0.02 2 678 118 118 VAL C C 178.548 0.2 1 679 118 118 VAL CA C 66.500 0.2 1 680 118 118 VAL CB C 29.961 0.2 1 681 118 118 VAL CG1 C 23.341 0.2 2 682 118 118 VAL CG2 C 24.212 0.2 2 683 118 118 VAL N N 119.020 0.2 1 684 119 119 SER H H 7.701 0.02 1 685 119 119 SER CA C 61.149 0.2 1 686 119 119 SER CB C 62.431 0.2 1 687 119 119 SER N N 114.027 0.2 1 688 120 120 ARG C C 179.430 0.2 1 689 121 121 GLY H H 7.966 0.02 1 690 121 121 GLY C C 172.146 0.2 1 691 121 121 GLY CA C 45.505 0.2 1 692 121 121 GLY N N 107.408 0.2 1 693 122 122 THR H H 7.862 0.02 1 694 122 122 THR HG2 H 1.143 0.02 1 695 122 122 THR C C 173.113 0.2 1 696 122 122 THR CA C 62.245 0.2 1 697 122 122 THR CB C 67.922 0.2 1 698 122 122 THR CG2 C 21.115 0.2 1 699 122 122 THR N N 112.286 0.2 1 700 123 123 PHE H H 7.114 0.02 1 701 123 123 PHE HD1 H 6.530 0.02 3 702 123 123 PHE HE1 H 7.455 0.02 3 703 123 123 PHE C C 172.174 0.2 1 704 123 123 PHE CA C 57.424 0.2 1 705 123 123 PHE CB C 37.720 0.2 1 706 123 123 PHE CD1 C 133.735 0.2 3 707 123 123 PHE CE1 C 130.680 0.2 3 708 123 123 PHE N N 119.139 0.2 1 709 124 124 PRO C C 174.506 0.2 1 710 124 124 PRO CA C 62.254 0.2 1 711 124 124 PRO CB C 30.988 0.2 1 712 125 125 GLN H H 7.566 0.02 1 713 125 125 GLN C C 175.574 0.2 1 714 125 125 GLN CA C 57.253 0.2 1 715 125 125 GLN CB C 28.695 0.2 1 716 125 125 GLN N N 118.403 0.2 1 717 126 126 LEU H H 7.601 0.02 1 718 126 126 LEU HD1 H 1.055 0.02 2 719 126 126 LEU HD2 H 0.991 0.02 2 720 126 126 LEU C C 174.749 0.2 1 721 126 126 LEU CA C 53.251 0.2 1 722 126 126 LEU CB C 42.537 0.2 1 723 126 126 LEU CD1 C 23.665 0.2 2 724 126 126 LEU CD2 C 26.448 0.2 2 725 126 126 LEU N N 127.803 0.2 1 726 127 127 ASN H H 8.939 0.02 1 727 127 127 ASN C C 174.230 0.2 1 728 127 127 ASN CA C 50.506 0.2 1 729 127 127 ASN CB C 39.321 0.2 1 730 127 127 ASN N N 126.780 0.2 1 731 128 128 LEU H H 8.235 0.02 1 732 128 128 LEU HD1 H 0.946 0.02 2 733 128 128 LEU HD2 H 0.845 0.02 2 734 128 128 LEU C C 176.239 0.2 1 735 128 128 LEU CA C 55.061 0.2 1 736 128 128 LEU CB C 41.723 0.2 1 737 128 128 LEU CD1 C 22.240 0.2 2 738 128 128 LEU CD2 C 26.679 0.2 2 739 128 128 LEU N N 121.930 0.2 1 740 129 129 ALA H H 8.453 0.02 1 741 129 129 ALA HB H 1.596 0.02 1 742 129 129 ALA C C 174.790 0.2 1 743 129 129 ALA CA C 50.492 0.2 1 744 129 129 ALA CB C 17.351 0.2 1 745 129 129 ALA N N 129.811 0.2 1 746 130 130 PRO C C 175.108 0.2 1 747 130 130 PRO CA C 63.464 0.2 1 748 131 131 VAL H H 6.799 0.02 1 749 131 131 VAL HG1 H -0.295 0.02 2 750 131 131 VAL HG2 H 0.252 0.02 2 751 131 131 VAL CA C 60.188 0.2 1 752 131 131 VAL CB C 38.811 0.2 1 753 131 131 VAL CG1 C 19.616 0.2 2 754 131 131 VAL CG2 C 21.065 0.2 2 755 131 131 VAL N N 122.601 0.2 1 756 132 132 ASN C C 175.973 0.2 1 757 132 132 ASN CA C 54.942 0.2 1 758 133 133 PHE H H 8.800 0.02 1 759 133 133 PHE HD1 H 7.096 0.02 3 760 133 133 PHE HE1 H 7.229 0.02 3 761 133 133 PHE C C 177.938 0.2 1 762 133 133 PHE CA C 62.301 0.2 1 763 133 133 PHE CB C 38.520 0.2 1 764 133 133 PHE CD1 C 134.263 0.2 3 765 133 133 PHE CE1 C 130.083 0.2 3 766 133 133 PHE N N 124.344 0.2 1 767 134 134 ASP H H 8.153 0.02 1 768 134 134 ASP C C 178.149 0.2 1 769 134 134 ASP CA C 57.846 0.2 1 770 134 134 ASP CB C 39.322 0.2 1 771 134 134 ASP N N 122.028 0.2 1 772 135 135 ALA H H 7.297 0.02 1 773 135 135 ALA HB H 1.403 0.02 1 774 135 135 ALA C C 180.254 0.2 1 775 135 135 ALA CA C 53.759 0.2 1 776 135 135 ALA CB C 18.035 0.2 1 777 135 135 ALA N N 122.446 0.2 1 778 136 136 LEU H H 7.324 0.02 1 779 136 136 LEU HD1 H 0.805 0.02 2 780 136 136 LEU HD2 H 0.638 0.02 2 781 136 136 LEU C C 179.250 0.2 1 782 136 136 LEU CA C 57.279 0.2 1 783 136 136 LEU CB C 40.995 0.2 1 784 136 136 LEU CD1 C 23.508 0.2 2 785 136 136 LEU CD2 C 24.809 0.2 2 786 136 136 LEU N N 118.722 0.2 1 787 137 137 PHE H H 8.138 0.02 1 788 137 137 PHE HD1 H 7.000 0.02 3 789 137 137 PHE HE1 H 7.101 0.02 3 790 137 137 PHE C C 176.840 0.2 1 791 137 137 PHE CA C 60.232 0.2 1 792 137 137 PHE CB C 38.739 0.2 1 793 137 137 PHE CD1 C 131.214 0.2 3 794 137 137 PHE CE1 C 130.490 0.2 3 795 137 137 PHE N N 120.795 0.2 1 796 138 138 MET H H 7.950 0.02 1 797 138 138 MET HE H 2.086 0.02 1 798 138 138 MET C C 178.262 0.2 1 799 138 138 MET CA C 57.245 0.2 1 800 138 138 MET CB C 30.806 0.2 1 801 138 138 MET CE C 16.805 0.2 1 802 138 138 MET N N 118.181 0.2 1 803 139 139 ASN H H 7.875 0.02 1 804 139 139 ASN C C 176.756 0.2 1 805 139 139 ASN CA C 55.232 0.2 1 806 139 139 ASN CB C 37.720 0.2 1 807 139 139 ASN N N 118.324 0.2 1 808 140 140 TYR H H 7.736 0.02 1 809 140 140 TYR HD1 H 7.028 0.02 3 810 140 140 TYR HE1 H 6.844 0.02 3 811 140 140 TYR C C 177.339 0.2 1 812 140 140 TYR CA C 59.722 0.2 1 813 140 140 TYR CB C 36.701 0.2 1 814 140 140 TYR CD1 C 133.249 0.2 3 815 140 140 TYR CE1 C 118.224 0.2 3 816 140 140 TYR N N 121.729 0.2 1 817 141 141 LEU H H 7.829 0.02 1 818 141 141 LEU HD1 H 0.728 0.02 2 819 141 141 LEU HD2 H 0.784 0.02 2 820 141 141 LEU C C 179.201 0.2 1 821 141 141 LEU CA C 56.294 0.2 1 822 141 141 LEU CB C 40.849 0.2 1 823 141 141 LEU CD1 C 22.771 0.2 2 824 141 141 LEU CD2 C 25.241 0.2 2 825 141 141 LEU N N 120.839 0.2 1 826 142 142 GLN H H 7.776 0.02 1 827 142 142 GLN C C 177.258 0.2 1 828 142 142 GLN CA C 56.827 0.2 1 829 142 142 GLN CB C 27.604 0.2 1 830 142 142 GLN N N 118.815 0.2 1 831 143 143 GLN H H 7.799 0.02 1 832 143 143 GLN C C 176.983 0.2 1 833 143 143 GLN CA C 56.483 0.2 1 834 143 143 GLN CB C 27.639 0.2 1 835 143 143 GLN N N 119.651 0.2 1 836 144 144 GLN H H 7.835 0.02 1 837 144 144 GLN C C 176.157 0.2 1 838 144 144 GLN CA C 55.744 0.2 1 839 144 144 GLN CB C 28.113 0.2 1 840 144 144 GLN N N 119.704 0.2 1 841 145 145 ALA H H 7.829 0.02 1 842 145 145 ALA HB H 1.391 0.02 1 843 145 145 ALA C C 178.262 0.2 1 844 145 145 ALA CA C 52.702 0.2 1 845 145 145 ALA CB C 18.927 0.2 1 846 145 145 ALA N N 124.024 0.2 1 847 146 146 GLY H H 7.974 0.02 1 848 146 146 GLY C C 174.165 0.2 1 849 146 146 GLY CA C 44.750 0.2 1 850 146 146 GLY N N 107.895 0.2 1 851 147 147 GLU H H 8.111 0.02 1 852 147 147 GLU C C 177.096 0.2 1 853 147 147 GLU CA C 56.212 0.2 1 854 147 147 GLU CB C 29.205 0.2 1 855 147 147 GLU N N 121.198 0.2 1 856 148 148 GLY H H 8.369 0.02 1 857 148 148 GLY C C 174.408 0.2 1 858 148 148 GLY CA C 44.992 0.2 1 859 148 148 GLY N N 110.506 0.2 1 860 149 149 THR H H 7.883 0.02 1 861 149 149 THR HG2 H 1.171 0.02 1 862 149 149 THR C C 174.570 0.2 1 863 149 149 THR CA C 61.240 0.2 1 864 149 149 THR CB C 69.160 0.2 1 865 149 149 THR CG2 C 21.446 0.2 1 866 149 149 THR N N 113.739 0.2 1 867 150 150 GLU H H 8.359 0.02 1 868 150 150 GLU C C 176.288 0.2 1 869 150 150 GLU CA C 56.016 0.2 1 870 150 150 GLU CB C 29.205 0.2 1 871 150 150 GLU N N 123.574 0.2 1 872 151 151 GLU H H 8.231 0.02 1 873 151 151 GLU C C 176.157 0.2 1 874 151 151 GLU CA C 55.994 0.2 1 875 151 151 GLU CB C 29.496 0.2 1 876 151 151 GLU N N 122.426 0.2 1 877 152 152 HIS HD2 H 7.109 0.02 1 878 152 152 HIS HE1 H 8.154 0.02 1 879 152 152 HIS CD2 C 120.005 0.2 1 880 152 152 HIS CE1 C 137.608 0.2 1 881 153 153 GLN C C 175.430 0.2 1 882 153 153 GLN CA C 55.243 0.2 1 883 153 153 GLN CB C 29.125 0.2 1 884 154 154 ASP H H 8.372 0.02 1 885 154 154 ASP CA C 54.273 0.2 1 886 154 154 ASP CB C 40.673 0.2 1 887 154 154 ASP N N 122.845 0.2 1 888 155 155 ALA H H 7.690 0.02 1 889 155 155 ALA HB H 1.296 0.02 1 890 155 155 ALA CB C 20.138 0.2 1 891 155 155 ALA N N 129.862 0.2 1 stop_ save_ save_assigned_chemical_shifts_5 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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 1 1 MET HA H 4.431 0.02 1 2 1 1 MET HG3 H 2.502 0.02 2 3 1 1 MET H H 8.343 0.02 1 4 1 1 MET CA C 55.128 0.2 1 5 1 1 MET CG C 31.783 0.2 1 6 1 1 MET N N 122.607 0.2 1 7 2 2 LYS H H 8.520 0.02 1 8 2 2 LYS HA H 4.264 0.02 1 9 2 2 LYS CA C 56.077 0.2 1 10 2 2 LYS CB C 33.097 0.2 1 11 2 2 LYS CG C 24.631 0.2 1 12 2 2 LYS CD C 29.207 0.2 1 13 2 2 LYS CE C 42.062 0.2 1 14 2 2 LYS N N 123.513 0.2 1 15 3 3 GLN H H 8.588 0.02 1 16 3 3 GLN HA H 4.315 0.02 1 17 3 3 GLN CA C 55.908 0.2 1 18 3 3 GLN CG C 33.796 0.2 1 19 3 3 GLN N N 122.443 0.2 1 20 4 4 SER H H 8.554 0.02 1 21 4 4 SER HA H 4.366 0.02 1 22 4 4 SER CA C 59.069 0.2 1 23 4 4 SER CB C 63.778 0.2 1 24 4 4 SER N N 117.779 0.2 1 25 5 5 THR H H 8.322 0.02 1 26 5 5 THR HA H 4.352 0.02 1 27 5 5 THR HB H 4.231 0.02 1 28 5 5 THR HG2 H 1.236 0.02 1 29 5 5 THR CA C 62.761 0.2 1 30 5 5 THR CB C 69.968 0.2 1 31 5 5 THR CG2 C 21.596 0.2 1 32 5 5 THR N N 116.815 0.2 1 33 6 6 ILE H H 8.135 0.02 1 34 6 6 ILE HA H 4.125 0.02 1 35 6 6 ILE HB H 1.803 0.02 1 36 6 6 ILE HG13 H 1.454 0.02 2 37 6 6 ILE HG2 H 0.877 0.02 1 38 6 6 ILE HD1 H 0.830 0.02 1 39 6 6 ILE CA C 61.030 0.2 1 40 6 6 ILE CB C 38.762 0.2 1 41 6 6 ILE CG1 C 27.265 0.2 1 42 6 6 ILE CG2 C 17.369 0.2 1 43 6 6 ILE CD1 C 12.847 0.2 1 44 6 6 ILE N N 123.606 0.2 1 45 7 7 ALA H H 8.378 0.02 1 46 7 7 ALA HA H 4.326 0.02 1 47 7 7 ALA HB H 1.372 0.02 1 48 7 7 ALA CA C 52.657 0.2 1 49 7 7 ALA CB C 18.903 0.2 1 50 7 7 ALA N N 128.243 0.2 1 51 8 8 LEU H H 8.203 0.02 1 52 8 8 LEU HA H 4.254 0.02 1 53 8 8 LEU HB3 H 1.639 0.02 2 54 8 8 LEU HG H 1.648 0.02 1 55 8 8 LEU HD1 H 0.917 0.02 2 56 8 8 LEU HD2 H 0.885 0.02 2 57 8 8 LEU CA C 55.155 0.2 1 58 8 8 LEU CB C 42.318 0.2 1 59 8 8 LEU CG C 26.865 0.2 1 60 8 8 LEU CD1 C 24.731 0.2 2 61 8 8 LEU CD2 C 23.349 0.2 2 62 8 8 LEU N N 121.927 0.2 1 63 9 9 ALA H H 8.236 0.02 1 64 9 9 ALA HB H 1.374 0.02 1 65 9 9 ALA CB C 18.864 0.2 1 66 9 9 ALA N N 124.173 0.2 1 67 10 10 LEU H H 8.119 0.02 1 68 10 10 LEU HA H 4.320 0.02 1 69 10 10 LEU HB3 H 1.622 0.02 2 70 10 10 LEU HG H 1.611 0.02 1 71 10 10 LEU HD1 H 0.897 0.02 2 72 10 10 LEU HD2 H 0.839 0.02 2 73 10 10 LEU CA C 54.738 0.2 1 74 10 10 LEU CB C 42.325 0.2 1 75 10 10 LEU CG C 26.829 0.2 1 76 10 10 LEU CD1 C 25.095 0.2 2 77 10 10 LEU CD2 C 23.183 0.2 2 78 10 10 LEU N N 120.935 0.2 1 79 11 11 LEU H H 8.107 0.02 1 80 11 11 LEU HA H 4.470 0.02 1 81 11 11 LEU HB3 H 1.586 0.02 2 82 11 11 LEU HG H 1.598 0.02 1 83 11 11 LEU HD1 H 0.921 0.02 2 84 11 11 LEU HD2 H 0.884 0.02 2 85 11 11 LEU CA C 54.325 0.2 1 86 11 11 LEU CB C 41.980 0.2 1 87 11 11 LEU CG C 26.532 0.2 1 88 11 11 LEU CD1 C 24.868 0.2 2 89 11 11 LEU CD2 C 23.142 0.2 2 90 11 11 LEU N N 124.361 0.2 1 91 12 12 PRO HA H 4.362 0.02 1 92 12 12 PRO HB3 H 2.246 0.02 2 93 12 12 PRO HG3 H 1.993 0.02 2 94 12 12 PRO HD3 H 3.834 0.02 2 95 12 12 PRO CA C 62.876 0.2 1 96 12 12 PRO CB C 32.029 0.2 1 97 12 12 PRO CG C 27.392 0.2 1 98 12 12 PRO CD C 50.665 0.2 1 99 13 13 LEU H H 8.305 0.02 1 100 13 13 LEU HA H 4.274 0.02 1 101 13 13 LEU HB3 H 1.598 0.02 2 102 13 13 LEU HG H 1.629 0.02 1 103 13 13 LEU HD1 H 0.925 0.02 2 104 13 13 LEU HD2 H 0.872 0.02 2 105 13 13 LEU CA C 55.116 0.2 1 106 13 13 LEU CB C 42.251 0.2 1 107 13 13 LEU CG C 26.923 0.2 1 108 13 13 LEU CD1 C 24.936 0.2 2 109 13 13 LEU CD2 C 23.537 0.2 2 110 13 13 LEU N N 122.247 0.2 1 111 14 14 LEU H H 8.208 0.02 1 112 14 14 LEU HA H 4.309 0.02 1 113 14 14 LEU HB3 H 1.626 0.02 2 114 14 14 LEU HG H 1.580 0.02 1 115 14 14 LEU HD1 H 0.882 0.02 2 116 14 14 LEU HD2 H 0.811 0.02 2 117 14 14 LEU CA C 54.877 0.2 1 118 14 14 LEU CB C 42.423 0.2 1 119 14 14 LEU CG C 26.799 0.2 1 120 14 14 LEU CD1 C 24.858 0.2 2 121 14 14 LEU CD2 C 23.546 0.2 2 122 14 14 LEU N N 122.963 0.2 1 123 15 15 PHE H H 8.246 0.02 1 124 15 15 PHE HB3 H 3.020 0.02 2 125 15 15 PHE HD1 H 7.226 0.02 3 126 15 15 PHE HD2 H 7.226 0.02 3 127 15 15 PHE HE1 H 7.106 0.02 3 128 15 15 PHE HE2 H 7.106 0.02 3 129 15 15 PHE HZ H 7.145 0.02 1 130 15 15 PHE CB C 39.925 0.2 1 131 15 15 PHE CD1 C 131.785 0.2 3 132 15 15 PHE CD2 C 131.785 0.2 3 133 15 15 PHE CE1 C 130.248 0.2 3 134 15 15 PHE CE2 C 130.248 0.2 3 135 15 15 PHE CZ C 130.248 0.2 1 136 15 15 PHE N N 121.490 0.2 1 137 16 16 THR H H 8.155 0.02 1 138 16 16 THR HB H 3.991 0.02 1 139 16 16 THR HG2 H 1.217 0.02 1 140 16 16 THR CB C 69.862 0.2 1 141 16 16 THR CG2 C 21.503 0.2 1 142 16 16 THR N N 120.489 0.2 1 143 18 18 VAL HA H 4.092 0.02 1 144 18 18 VAL HB H 2.045 0.02 1 145 18 18 VAL HG1 H 0.951 0.02 2 146 18 18 VAL HG2 H 0.951 0.02 2 147 18 18 VAL CA C 62.525 0.2 1 148 18 18 VAL CB C 32.713 0.2 1 149 18 18 VAL CG1 C 20.753 0.2 2 150 19 19 THR H H 8.331 0.02 1 151 19 19 THR HA H 4.288 0.02 1 152 19 19 THR HB H 4.125 0.02 1 153 19 19 THR HG2 H 1.182 0.02 1 154 19 19 THR CA C 63.775 0.2 1 155 19 19 THR CB C 69.838 0.2 1 156 19 19 THR CG2 C 21.628 0.2 1 157 19 19 THR N N 119.373 0.2 1 158 20 20 LYS H H 8.436 0.02 1 159 20 20 LYS HA H 4.280 0.02 1 160 20 20 LYS HB3 H 1.823 0.02 2 161 20 20 LYS CA C 56.205 0.2 1 162 20 20 LYS CB C 33.173 0.2 1 163 20 20 LYS CG C 24.628 0.2 1 164 20 20 LYS CD C 29.122 0.2 1 165 20 20 LYS CE C 42.113 0.2 1 166 20 20 LYS N N 124.957 0.2 1 167 21 21 ALA H H 8.446 0.02 1 168 21 21 ALA HB H 1.362 0.02 1 169 21 21 ALA CB C 19.132 0.2 1 170 21 21 ALA N N 126.383 0.2 1 171 22 22 ARG H H 8.502 0.02 1 172 22 22 ARG HA H 4.352 0.02 1 173 22 22 ARG HB3 H 1.741 0.02 2 174 22 22 ARG CA C 55.956 0.2 1 175 22 22 ARG CB C 30.882 0.2 1 176 22 22 ARG CG C 27.165 0.2 1 177 22 22 ARG CD C 43.249 0.2 1 178 22 22 ARG N N 121.415 0.2 1 179 23 23 THR H H 8.328 0.02 1 180 23 23 THR N N 118.696 0.2 1 181 24 24 PRO CA C 63.150 0.2 1 182 24 24 PRO CB C 32.159 0.2 1 183 25 25 GLU H H 8.554 0.02 1 184 25 25 GLU CA C 56.509 0.2 1 185 25 25 GLU CB C 30.326 0.2 1 186 25 25 GLU N N 121.124 0.2 1 187 26 26 MET H H 8.434 0.02 1 188 26 26 MET N N 122.999 0.2 1 189 27 27 PRO CA C 62.981 0.2 1 190 27 27 PRO CB C 32.206 0.2 1 191 28 28 VAL H H 8.362 0.02 1 192 28 28 VAL CA C 62.409 0.2 1 193 28 28 VAL CB C 32.702 0.2 1 194 28 28 VAL N N 121.316 0.2 1 195 29 29 LEU H H 8.439 0.02 1 196 29 29 LEU CA C 54.891 0.2 1 197 29 29 LEU CB C 42.393 0.2 1 198 29 29 LEU N N 126.773 0.2 1 199 30 30 GLU H H 8.473 0.02 1 200 30 30 GLU CA C 56.446 0.2 1 201 30 30 GLU CB C 30.282 0.2 1 202 30 30 GLU N N 122.118 0.2 1 203 31 31 ASN H H 8.572 0.02 1 204 31 31 ASN CA C 53.182 0.2 1 205 31 31 ASN CB C 38.740 0.2 1 206 31 31 ASN N N 120.261 0.2 1 207 32 32 ARG H H 8.438 0.02 1 208 32 32 ARG CA C 56.226 0.2 1 209 32 32 ARG CB C 30.704 0.2 1 210 32 32 ARG N N 122.237 0.2 1 211 33 33 ALA H H 8.359 0.02 1 212 33 33 ALA CA C 52.644 0.2 1 213 33 33 ALA CB C 18.982 0.2 1 214 33 33 ALA N N 124.768 0.2 1 215 34 34 ALA H H 8.304 0.02 1 216 34 34 ALA CA C 52.483 0.2 1 217 34 34 ALA CB C 19.036 0.2 1 218 34 34 ALA N N 123.175 0.2 1 219 35 35 GLN H H 8.363 0.02 1 220 35 35 GLN CA C 56.096 0.2 1 221 35 35 GLN CB C 29.507 0.2 1 222 35 35 GLN N N 119.352 0.2 1 223 36 36 GLY H H 8.395 0.02 1 224 36 36 GLY CA C 45.066 0.2 1 225 36 36 GLY N N 109.690 0.2 1 226 37 37 ASP H H 8.277 0.02 1 227 37 37 ASP CA C 54.272 0.2 1 228 37 37 ASP CB C 41.135 0.2 1 229 37 37 ASP N N 120.473 0.2 1 230 38 38 ILE H H 8.253 0.02 1 231 38 38 ILE CA C 61.494 0.2 1 232 38 38 ILE CB C 38.611 0.2 1 233 38 38 ILE N N 121.221 0.2 1 234 39 39 THR H H 8.334 0.02 1 235 39 39 THR CA C 61.949 0.2 1 236 39 39 THR CB C 69.502 0.2 1 237 39 39 THR N N 117.926 0.2 1 238 40 40 ALA H H 8.265 0.02 1 239 40 40 ALA N N 127.955 0.2 1 240 41 41 PRO CA C 63.575 0.2 1 241 41 41 PRO CB C 31.949 0.2 1 242 42 42 GLY H H 8.640 0.02 1 243 42 42 GLY CA C 45.313 0.2 1 244 42 42 GLY N N 109.856 0.2 1 245 43 43 GLY H H 8.308 0.02 1 246 43 43 GLY CA C 45.221 0.2 1 247 43 43 GLY N N 108.758 0.2 1 248 44 44 ALA H H 8.268 0.02 1 249 44 44 ALA CA C 52.467 0.2 1 250 44 44 ALA CB C 19.131 0.2 1 251 44 44 ALA N N 123.619 0.2 1 252 45 45 ARG H H 8.361 0.02 1 253 45 45 ARG CA C 56.056 0.2 1 254 45 45 ARG CB C 30.746 0.2 1 255 45 45 ARG N N 120.470 0.2 1 256 46 46 ARG H H 8.446 0.02 1 257 46 46 ARG CA C 56.017 0.2 1 258 46 46 ARG CB C 30.781 0.2 1 259 46 46 ARG N N 122.850 0.2 1 260 47 47 LEU H H 8.525 0.02 1 261 47 47 LEU CA C 55.043 0.2 1 262 47 47 LEU CB C 42.249 0.2 1 263 47 47 LEU N N 124.062 0.2 1 264 48 48 THR H H 8.236 0.02 1 265 48 48 THR CA C 61.677 0.2 1 266 48 48 THR CB C 70.110 0.2 1 267 48 48 THR N N 113.935 0.2 1 268 49 49 GLY H H 8.561 0.02 1 269 49 49 GLY N N 110.607 0.2 1 270 50 50 ASP CA C 54.758 0.2 1 271 50 50 ASP CB C 41.206 0.2 1 272 51 51 GLN H H 8.514 0.02 1 273 51 51 GLN CA C 56.471 0.2 1 274 51 51 GLN CB C 29.209 0.2 1 275 51 51 GLN N N 121.394 0.2 1 276 52 52 THR H H 8.293 0.02 1 277 52 52 THR CA C 63.264 0.2 1 278 52 52 THR CB C 69.665 0.2 1 279 52 52 THR N N 115.226 0.2 1 280 53 53 ALA H H 8.254 0.02 1 281 53 53 ALA CA C 53.304 0.2 1 282 53 53 ALA CB C 18.858 0.2 1 283 53 53 ALA N N 125.815 0.2 1 284 54 54 ALA H H 8.122 0.02 1 285 54 54 ALA CA C 53.013 0.2 1 286 54 54 ALA CB C 18.800 0.2 1 287 54 54 ALA N N 121.930 0.2 1 288 55 55 LEU H H 8.077 0.02 1 289 55 55 LEU CA C 55.583 0.2 1 290 55 55 LEU CB C 42.214 0.2 1 291 55 55 LEU N N 120.682 0.2 1 292 56 56 ARG H H 8.209 0.02 1 293 56 56 ARG CA C 56.764 0.2 1 294 56 56 ARG CB C 30.735 0.2 1 295 56 56 ARG N N 121.154 0.2 1 296 57 57 ASP H H 8.381 0.02 1 297 57 57 ASP CA C 54.677 0.2 1 298 57 57 ASP CB C 41.056 0.2 1 299 57 57 ASP N N 120.832 0.2 1 300 58 58 SER H H 8.260 0.02 1 301 58 58 SER CA C 59.009 0.2 1 302 58 58 SER CB C 63.669 0.2 1 303 58 58 SER N N 116.095 0.2 1 304 59 59 LEU H H 8.248 0.02 1 305 59 59 LEU CA C 55.544 0.2 1 306 59 59 LEU CB C 42.034 0.2 1 307 59 59 LEU N N 123.211 0.2 1 308 60 60 SER H H 8.126 0.02 1 309 60 60 SER N N 115.319 0.2 1 310 61 61 ASP CA C 54.228 0.2 1 311 61 61 ASP CB C 41.025 0.2 1 312 62 62 LYS H H 8.153 0.02 1 313 62 62 LYS N N 122.086 0.2 1 314 63 63 PRO CA C 63.019 0.2 1 315 63 63 PRO CB C 32.126 0.2 1 316 64 64 ALA H H 8.491 0.02 1 317 64 64 ALA CA C 52.423 0.2 1 318 64 64 ALA CB C 19.182 0.2 1 319 64 64 ALA N N 124.598 0.2 1 320 65 65 LYS H H 8.351 0.02 1 321 65 65 LYS CA C 56.307 0.2 1 322 65 65 LYS CB C 33.215 0.2 1 323 65 65 LYS N N 120.423 0.2 1 324 66 66 ASN H H 8.488 0.02 1 325 66 66 ASN HA H 4.651 0.02 1 326 66 66 ASN CA C 53.199 0.2 1 327 66 66 ASN CB C 38.693 0.2 1 328 66 66 ASN N N 119.841 0.2 1 329 67 67 ILE H H 8.160 0.02 1 330 67 67 ILE HA H 4.112 0.02 1 331 67 67 ILE HB H 1.839 0.02 1 332 67 67 ILE HG2 H 0.837 0.02 1 333 67 67 ILE HD1 H 0.835 0.02 1 334 67 67 ILE CA C 61.224 0.2 1 335 67 67 ILE CB C 38.705 0.2 1 336 67 67 ILE CG1 C 27.222 0.2 1 337 67 67 ILE CG2 C 17.468 0.2 1 338 67 67 ILE CD1 C 12.873 0.2 1 339 67 67 ILE N N 121.804 0.2 1 340 68 68 ILE H H 8.265 0.02 1 341 68 68 ILE HA H 4.096 0.02 1 342 68 68 ILE HB H 1.803 0.02 1 343 68 68 ILE HG13 H 1.464 0.02 2 344 68 68 ILE HG2 H 0.883 0.02 1 345 68 68 ILE HD1 H 0.820 0.02 1 346 68 68 ILE CA C 60.992 0.2 1 347 68 68 ILE CB C 38.395 0.2 1 348 68 68 ILE CG1 C 27.290 0.2 1 349 68 68 ILE CG2 C 17.403 0.2 1 350 68 68 ILE CD1 C 12.613 0.2 1 351 68 68 ILE N N 125.843 0.2 1 352 69 69 LEU H H 8.333 0.02 1 353 69 69 LEU HA H 4.376 0.02 1 354 69 69 LEU HG H 1.558 0.02 1 355 69 69 LEU HD1 H 0.892 0.02 2 356 69 69 LEU HD2 H 0.831 0.02 2 357 69 69 LEU CA C 54.798 0.2 1 358 69 69 LEU CB C 42.373 0.2 1 359 69 69 LEU CG C 26.888 0.2 1 360 69 69 LEU CD1 C 24.816 0.2 2 361 69 69 LEU CD2 C 23.545 0.2 2 362 69 69 LEU N N 127.016 0.2 1 363 70 70 LEU H H 8.310 0.02 1 364 70 70 LEU HA H 4.388 0.02 1 365 70 70 LEU HG H 1.580 0.02 1 366 70 70 LEU HD1 H 0.900 0.02 2 367 70 70 LEU HD2 H 0.840 0.02 2 368 70 70 LEU CA C 54.768 0.2 1 369 70 70 LEU CB C 42.182 0.2 1 370 70 70 LEU CG C 26.842 0.2 1 371 70 70 LEU CD1 C 24.832 0.2 2 372 70 70 LEU CD2 C 23.448 0.2 2 373 70 70 LEU N N 124.036 0.2 1 374 71 71 ILE H H 8.191 0.02 1 375 71 71 ILE HA H 4.155 0.02 1 376 71 71 ILE HB H 1.854 0.02 1 377 71 71 ILE HG13 H 1.461 0.02 2 378 71 71 ILE HG2 H 0.899 0.02 1 379 71 71 ILE HD1 H 0.842 0.02 1 380 71 71 ILE CA C 61.111 0.2 1 381 71 71 ILE CB C 38.726 0.2 1 382 71 71 ILE CG1 C 27.207 0.2 1 383 71 71 ILE CG2 C 17.627 0.2 1 384 71 71 ILE CD1 C 12.816 0.2 1 385 71 71 ILE N N 122.133 0.2 1 386 72 72 GLY H H 8.482 0.02 1 387 72 72 GLY CA C 45.323 0.2 1 388 72 72 GLY N N 113.065 0.2 1 389 73 73 ASP H H 8.354 0.02 1 390 73 73 ASP CA C 54.362 0.2 1 391 73 73 ASP CB C 41.153 0.2 1 392 73 73 ASP N N 120.571 0.2 1 393 74 74 GLY H H 8.540 0.02 1 394 74 74 GLY N N 109.315 0.2 1 395 75 75 MET CA C 55.301 0.2 1 396 75 75 MET CB C 32.461 0.2 1 397 76 76 GLY H H 8.501 0.02 1 398 76 76 GLY CA C 45.602 0.2 1 399 76 76 GLY N N 109.791 0.2 1 400 77 77 ASP H H 8.316 0.02 1 401 77 77 ASP CA C 54.823 0.2 1 402 77 77 ASP CB C 41.214 0.2 1 403 77 77 ASP N N 120.764 0.2 1 404 78 78 SER H H 8.395 0.02 1 405 78 78 SER CA C 59.012 0.2 1 406 78 78 SER CB C 63.634 0.2 1 407 78 78 SER N N 115.995 0.2 1 408 79 79 GLU H H 8.445 0.02 1 409 79 79 GLU CA C 57.157 0.2 1 410 79 79 GLU N N 122.742 0.2 1 411 80 80 ILE H H 8.170 0.02 1 412 80 80 ILE CA C 62.014 0.2 1 413 80 80 ILE CB C 38.285 0.2 1 414 80 80 ILE N N 121.930 0.2 1 415 81 81 THR H H 8.123 0.02 1 416 81 81 THR CB C 69.805 0.2 1 417 81 81 THR N N 118.043 0.2 1 418 82 82 ALA H H 8.197 0.02 1 419 82 82 ALA CA C 52.591 0.2 1 420 82 82 ALA CB C 18.767 0.2 1 421 82 82 ALA N N 126.006 0.2 1 422 83 83 ALA H H 8.160 0.02 1 423 83 83 ALA CA C 52.623 0.2 1 424 83 83 ALA CB C 18.830 0.2 1 425 83 83 ALA N N 122.823 0.2 1 426 84 84 ARG H H 8.186 0.02 1 427 84 84 ARG CA C 56.292 0.2 1 428 84 84 ARG CB C 26.961 0.2 1 429 84 84 ARG N N 120.131 0.2 1 430 85 85 ASN H H 8.325 0.02 1 431 85 85 ASN CA C 53.154 0.2 1 432 85 85 ASN CB C 38.676 0.2 1 433 85 85 ASN N N 119.346 0.2 1 434 86 86 TYR H H 8.159 0.02 1 435 86 86 TYR CA C 58.470 0.2 1 436 86 86 TYR CB C 38.662 0.2 1 437 86 86 TYR N N 121.156 0.2 1 438 87 87 ALA H H 8.159 0.02 1 439 87 87 ALA CA C 52.174 0.2 1 440 87 87 ALA CB C 19.111 0.2 1 441 87 87 ALA N N 124.719 0.2 1 442 88 88 GLU H H 8.246 0.02 1 443 88 88 GLU CA C 57.136 0.2 1 444 88 88 GLU CB C 29.315 0.2 1 445 88 88 GLU N N 119.731 0.2 1 446 89 89 GLY H H 8.303 0.02 1 447 89 89 GLY CA C 45.274 0.2 1 448 89 89 GLY N N 109.981 0.2 1 449 90 90 ALA H H 8.173 0.02 1 450 90 90 ALA N N 123.784 0.2 1 451 91 91 GLY H H 8.439 0.02 1 452 91 91 GLY CA C 45.243 0.2 1 453 91 91 GLY N N 108.003 0.2 1 454 92 92 GLY H H 8.118 0.02 1 455 92 92 GLY CA C 45.191 0.2 1 456 92 92 GLY N N 108.243 0.2 1 457 93 93 PHE H H 7.999 0.02 1 458 93 93 PHE HD1 H 7.018 0.02 3 459 93 93 PHE HE1 H 7.252 0.02 3 460 93 93 PHE HZ H 7.120 0.02 1 461 93 93 PHE CD1 C 131.857 0.2 3 462 93 93 PHE CE2 C 130.938 0.2 3 463 93 93 PHE CZ C 130.859 0.2 1 464 93 93 PHE N N 119.830 0.2 1 465 94 94 PHE H H 8.249 0.02 1 466 94 94 PHE HA H 4.495 0.02 1 467 94 94 PHE HD1 H 7.260 0.02 3 468 94 94 PHE HE1 H 7.324 0.02 3 469 94 94 PHE HZ H 7.208 0.02 1 470 94 94 PHE CA C 57.825 0.2 1 471 94 94 PHE CB C 39.621 0.2 1 472 94 94 PHE CD1 C 132.984 0.2 3 473 94 94 PHE CE2 C 131.024 0.2 3 474 94 94 PHE CZ C 131.782 0.2 1 475 94 94 PHE N N 121.997 0.2 1 476 95 95 LYS H H 8.234 0.02 1 477 95 95 LYS HA H 4.490 0.02 1 478 95 95 LYS CA C 57.584 0.2 1 479 95 95 LYS CE C 39.614 0.2 1 480 95 95 LYS N N 123.984 0.2 1 481 96 96 GLY H H 7.868 0.02 1 482 96 96 GLY CA C 45.055 0.2 1 483 96 96 GLY N N 109.805 0.2 1 484 97 97 ILE H H 8.074 0.02 1 485 97 97 ILE HA H 4.259 0.02 1 486 97 97 ILE HB H 1.807 0.02 1 487 97 97 ILE HG13 H 1.118 0.02 2 488 97 97 ILE HG2 H 0.853 0.02 1 489 97 97 ILE HD1 H 0.818 0.02 1 490 97 97 ILE CA C 61.482 0.2 1 491 97 97 ILE CB C 38.843 0.2 1 492 97 97 ILE CG1 C 27.159 0.2 1 493 97 97 ILE CG2 C 17.431 0.2 1 494 97 97 ILE CD1 C 13.205 0.2 1 495 97 97 ILE N N 119.744 0.2 1 496 98 98 ASP H H 8.375 0.02 1 497 98 98 ASP HA H 4.517 0.02 1 498 98 98 ASP CA C 54.313 0.2 1 499 98 98 ASP CB C 41.032 0.2 1 500 98 98 ASP N N 123.628 0.2 1 501 99 99 ALA H H 8.061 0.02 1 502 99 99 ALA HB H 1.272 0.02 1 503 99 99 ALA CB C 19.508 0.2 1 504 99 99 ALA N N 123.683 0.2 1 505 100 100 LEU H H 7.877 0.02 1 506 100 100 LEU HD1 H 0.827 0.02 2 507 100 100 LEU HD2 H 0.742 0.02 2 508 100 100 LEU CD1 C 25.112 0.2 2 509 100 100 LEU CD2 C 23.863 0.2 2 510 100 100 LEU N N 119.840 0.2 1 511 101 101 PRO HA H 4.332 0.02 1 512 101 101 PRO HD3 H 3.720 0.02 2 513 101 101 PRO CA C 62.983 0.2 1 514 101 101 PRO CB C 31.979 0.2 1 515 101 101 PRO CG C 27.408 0.2 1 516 101 101 PRO CD C 50.444 0.2 1 517 102 102 LEU H H 8.435 0.02 1 518 102 102 LEU HA H 4.292 0.02 1 519 102 102 LEU HG H 1.590 0.02 1 520 102 102 LEU HD1 H 0.878 0.02 2 521 102 102 LEU HD2 H 0.761 0.02 2 522 102 102 LEU CA C 55.239 0.2 1 523 102 102 LEU CB C 42.053 0.2 1 524 102 102 LEU CG C 26.939 0.2 1 525 102 102 LEU CD1 C 24.981 0.2 2 526 102 102 LEU CD2 C 23.647 0.2 2 527 102 102 LEU N N 122.346 0.2 1 528 103 103 THR H H 8.032 0.02 1 529 103 103 THR HG2 H 1.276 0.02 1 530 103 103 THR CB C 69.998 0.2 1 531 103 103 THR CG2 C 21.624 0.2 1 532 103 103 THR N N 113.333 0.2 1 533 104 104 GLY H H 8.421 0.02 1 534 104 104 GLY CA C 45.357 0.2 1 535 104 104 GLY N N 110.695 0.2 1 536 105 105 GLN H H 8.205 0.02 1 537 105 105 GLN HA H 4.180 0.02 1 538 105 105 GLN CA C 56.000 0.2 1 539 105 105 GLN N N 119.732 0.2 1 540 106 106 TYR H H 8.267 0.02 1 541 106 106 TYR HA H 4.571 0.02 1 542 106 106 TYR HB3 H 2.977 0.02 2 543 106 106 TYR HD1 H 7.031 0.02 3 544 106 106 TYR HE1 H 6.782 0.02 3 545 106 106 TYR CA C 57.709 0.2 1 546 106 106 TYR CB C 38.742 0.2 1 547 106 106 TYR CD2 C 133.498 0.2 3 548 106 106 TYR CE2 C 119.175 0.2 3 549 106 106 TYR N N 120.706 0.2 1 550 107 107 THR H H 7.984 0.02 1 551 107 107 THR HA H 4.241 0.02 1 552 107 107 THR HB H 4.072 0.02 1 553 107 107 THR HG2 H 1.202 0.02 1 554 107 107 THR CA C 61.910 0.2 1 555 107 107 THR CB C 70.077 0.2 1 556 107 107 THR CG2 C 20.982 0.2 1 557 107 107 THR N N 115.885 0.2 1 558 108 108 HIS H H 8.392 0.02 1 559 108 108 HIS HA H 4.483 0.02 1 560 108 108 HIS CA C 56.434 0.2 1 561 108 108 HIS CB C 30.667 0.2 1 562 108 108 HIS N N 122.857 0.2 1 563 109 109 TYR H H 7.986 0.02 1 564 109 109 TYR HA H 4.502 0.02 1 565 109 109 TYR HD1 H 7.041 0.02 3 566 109 109 TYR HE1 H 6.821 0.02 3 567 109 109 TYR CA C 57.740 0.2 1 568 109 109 TYR CB C 38.801 0.2 1 569 109 109 TYR CD1 C 132.747 0.2 3 570 109 109 TYR CE1 C 117.298 0.2 3 571 109 109 TYR N N 121.426 0.2 1 572 110 110 ALA H H 8.257 0.02 1 573 110 110 ALA HA H 4.213 0.02 1 574 110 110 ALA CA C 52.154 0.2 1 575 110 110 ALA CB C 19.195 0.2 1 576 110 110 ALA N N 124.979 0.2 1 577 111 111 LEU H H 8.138 0.02 1 578 111 111 LEU HA H 4.145 0.02 1 579 111 111 LEU HB3 H 1.373 0.02 2 580 111 111 LEU HG H 1.542 0.02 1 581 111 111 LEU HD1 H 0.853 0.02 2 582 111 111 LEU HD2 H 0.784 0.02 2 583 111 111 LEU CA C 55.157 0.2 1 584 111 111 LEU CB C 42.201 0.2 1 585 111 111 LEU CG C 26.812 0.2 1 586 111 111 LEU CD1 C 24.992 0.2 2 587 111 111 LEU CD2 C 23.419 0.2 2 588 111 111 LEU N N 120.748 0.2 1 589 112 112 ASN H H 8.335 0.02 1 590 112 112 ASN HA H 4.602 0.02 1 591 112 112 ASN HB3 H 2.724 0.02 2 592 112 112 ASN CA C 52.982 0.2 1 593 112 112 ASN CB C 38.785 0.2 1 594 112 112 ASN N N 120.520 0.2 1 595 113 113 LYS H H 8.449 0.02 1 596 113 113 LYS HA H 4.117 0.02 1 597 113 113 LYS CA C 57.044 0.2 1 598 113 113 LYS CB C 30.109 0.2 1 599 113 113 LYS CD C 29.003 0.2 1 600 113 113 LYS CE C 41.991 0.2 1 601 113 113 LYS N N 123.333 0.2 1 602 114 114 LYS H H 8.394 0.02 1 603 114 114 LYS N N 121.092 0.2 1 604 115 115 THR H H 8.051 0.02 1 605 115 115 THR HA H 4.184 0.02 1 606 115 115 THR HB H 4.202 0.02 1 607 115 115 THR HG2 H 1.245 0.02 1 608 115 115 THR CA C 61.932 0.2 1 609 115 115 THR CB C 70.035 0.2 1 610 115 115 THR CG2 C 21.045 0.2 1 611 115 115 THR N N 112.423 0.2 1 612 116 116 GLY H H 8.422 0.02 1 613 116 116 GLY CA C 45.110 0.2 1 614 116 116 GLY N N 111.021 0.2 1 615 118 118 PRO HA H 4.351 0.02 1 616 118 118 PRO HD3 H 3.743 0.02 2 617 118 118 PRO CA C 62.962 0.2 1 618 118 118 PRO CB C 31.913 0.2 1 619 118 118 PRO CG C 27.422 0.2 1 620 118 118 PRO CD C 50.439 0.2 1 621 119 119 ASP H H 8.461 0.02 1 622 119 119 ASP N N 121.318 0.2 1 623 120 120 TYR H H 7.997 0.02 1 624 120 120 TYR HA H 4.477 0.02 1 625 120 120 TYR HB3 H 2.918 0.02 2 626 120 120 TYR HD1 H 7.083 0.02 3 627 120 120 TYR HE1 H 6.872 0.02 3 628 120 120 TYR CA C 57.836 0.2 1 629 120 120 TYR CB C 38.857 0.2 1 630 120 120 TYR CD1 C 131.792 0.2 3 631 120 120 TYR CE1 C 118.326 0.2 3 632 120 120 TYR N N 119.737 0.2 1 633 121 121 VAL H H 8.062 0.02 1 634 121 121 VAL HA H 4.046 0.02 1 635 121 121 VAL HB H 1.969 0.02 1 636 121 121 VAL HG1 H 0.835 0.02 2 637 121 121 VAL HG2 H 0.768 0.02 2 638 121 121 VAL CA C 62.306 0.2 1 639 121 121 VAL CB C 32.651 0.2 1 640 121 121 VAL CG1 C 21.008 0.2 2 641 121 121 VAL CG2 C 20.842 0.2 2 642 121 121 VAL N N 122.755 0.2 1 643 122 122 THR H H 8.212 0.02 1 644 122 122 THR HA H 4.246 0.02 1 645 122 122 THR HB H 4.232 0.02 1 646 122 122 THR HG2 H 1.167 0.02 1 647 122 122 THR CA C 62.049 0.2 1 648 122 122 THR CB C 69.599 0.2 1 649 122 122 THR CG2 C 21.371 0.2 1 650 122 122 THR N N 118.195 0.2 1 651 123 123 ASP H H 8.376 0.02 1 652 123 123 ASP HA H 4.572 0.02 1 653 123 123 ASP CA C 53.970 0.2 1 654 123 123 ASP CB C 41.124 0.2 1 655 123 123 ASP N N 123.193 0.2 1 656 124 124 SER H H 8.371 0.02 1 657 124 124 SER CA C 58.923 0.2 1 658 124 124 SER CB C 63.634 0.2 1 659 124 124 SER N N 117.245 0.2 1 660 125 125 ALA H H 8.345 0.02 1 661 125 125 ALA HA H 4.188 0.02 1 662 125 125 ALA HB H 1.342 0.02 1 663 125 125 ALA CA C 52.789 0.2 1 664 125 125 ALA CB C 18.924 0.2 1 665 125 125 ALA N N 125.777 0.2 1 666 126 126 ALA H H 8.118 0.02 1 667 126 126 ALA HA H 4.260 0.02 1 668 126 126 ALA HB H 1.453 0.02 1 669 126 126 ALA CA C 52.488 0.2 1 670 126 126 ALA CB C 18.923 0.2 1 671 126 126 ALA N N 122.476 0.2 1 672 127 127 SER H H 8.128 0.02 1 673 127 127 SER HA H 4.331 0.02 1 674 127 127 SER HB3 H 3.641 0.02 2 675 127 127 SER CA C 58.485 0.2 1 676 127 127 SER CB C 63.790 0.2 1 677 127 127 SER N N 114.521 0.2 1 678 128 128 ALA H H 8.257 0.02 1 679 128 128 ALA HA H 4.257 0.02 1 680 128 128 ALA HB H 1.379 0.02 1 681 128 128 ALA CA C 52.884 0.2 1 682 128 128 ALA CB C 18.879 0.2 1 683 128 128 ALA N N 125.835 0.2 1 684 129 129 THR H H 8.041 0.02 1 685 129 129 THR HA H 4.067 0.02 1 686 129 129 THR HB H 4.145 0.02 1 687 129 129 THR HG2 H 1.283 0.02 1 688 129 129 THR CA C 62.028 0.2 1 689 129 129 THR CB C 69.727 0.2 1 690 129 129 THR CG2 C 21.541 0.2 1 691 129 129 THR N N 112.523 0.2 1 692 130 130 ALA H H 8.143 0.02 1 693 130 130 ALA HA H 4.200 0.02 1 694 130 130 ALA HB H 1.384 0.02 1 695 130 130 ALA CA C 52.971 0.2 1 696 130 130 ALA CB C 18.973 0.2 1 697 130 130 ALA N N 125.990 0.2 1 698 131 131 TRP H H 8.053 0.02 1 699 131 131 TRP HA H 4.596 0.02 1 700 131 131 TRP HB3 H 3.220 0.02 2 701 131 131 TRP HD1 H 7.559 0.02 1 702 131 131 TRP HE1 H 10.078 0.02 1 703 131 131 TRP CA C 57.457 0.2 1 704 131 131 TRP CB C 29.282 0.2 1 705 131 131 TRP CD1 C 120.829 0.2 1 706 131 131 TRP N N 119.706 0.2 1 707 131 131 TRP NE1 N 124.148 0.2 1 708 132 132 SER H H 7.973 0.02 1 709 132 132 SER HA H 4.345 0.02 1 710 132 132 SER CA C 58.505 0.2 1 711 132 132 SER CB C 63.772 0.2 1 712 132 132 SER N N 117.067 0.2 1 713 133 133 THR H H 8.089 0.02 1 714 133 133 THR HA H 4.157 0.02 1 715 133 133 THR HB H 4.154 0.02 1 716 133 133 THR HG2 H 1.398 0.02 1 717 133 133 THR CA C 62.617 0.2 1 718 133 133 THR CB C 69.529 0.2 1 719 133 133 THR CG2 C 21.460 0.2 1 720 133 133 THR N N 114.875 0.2 1 721 134 134 GLY H H 8.293 0.02 1 722 134 134 GLY CA C 45.212 0.2 1 723 134 134 GLY N N 110.959 0.2 1 724 135 135 VAL H H 7.957 0.02 1 725 135 135 VAL HA H 4.025 0.02 1 726 135 135 VAL HB H 1.966 0.02 1 727 135 135 VAL HG1 H 0.774 0.02 2 728 135 135 VAL HG2 H 0.857 0.02 2 729 135 135 VAL CA C 62.325 0.2 1 730 135 135 VAL CB C 32.782 0.2 1 731 135 135 VAL CG1 C 20.601 0.2 2 732 135 135 VAL CG2 C 20.717 0.2 2 733 135 135 VAL N N 119.840 0.2 1 734 136 136 LYS H H 8.463 0.02 1 735 136 136 LYS HA H 4.303 0.02 1 736 136 136 LYS CA C 56.066 0.2 1 737 136 136 LYS CB C 33.040 0.2 1 738 136 136 LYS CG C 24.803 0.2 1 739 136 136 LYS CD C 28.982 0.2 1 740 136 136 LYS CE C 42.074 0.2 1 741 136 136 LYS N N 125.802 0.2 1 742 137 137 THR H H 8.107 0.02 1 743 137 137 THR HA H 4.285 0.02 1 744 137 137 THR HB H 4.196 0.02 1 745 137 137 THR HG2 H 1.079 0.02 1 746 137 137 THR CA C 61.752 0.2 1 747 137 137 THR CB C 70.047 0.2 1 748 137 137 THR CG2 C 22.015 0.2 1 749 137 137 THR N N 115.742 0.2 1 750 138 138 TYR H H 8.392 0.02 1 751 138 138 TYR HD1 H 7.197 0.02 3 752 138 138 TYR HE1 H 7.013 0.02 3 753 138 138 TYR CD1 C 132.014 0.2 3 754 138 138 TYR CE1 C 118.763 0.2 3 755 138 138 TYR N N 122.770 0.2 1 756 139 139 ASN H H 8.487 0.02 1 757 139 139 ASN N N 122.240 0.2 1 758 140 140 GLY H H 7.792 0.02 1 759 140 140 GLY CA C 45.264 0.2 1 760 140 140 GLY N N 109.152 0.2 1 761 141 141 ALA H H 8.117 0.02 1 762 141 141 ALA CA C 52.191 0.2 1 763 141 141 ALA CB C 19.370 0.2 1 764 141 141 ALA N N 123.383 0.2 1 765 142 142 LEU H H 8.233 0.02 1 766 142 142 LEU N N 120.970 0.2 1 767 143 143 GLY H H 8.359 0.02 1 768 143 143 GLY CA C 45.274 0.2 1 769 143 143 GLY N N 109.719 0.2 1 770 144 144 VAL H H 7.885 0.02 1 771 144 144 VAL CA C 63.017 0.2 1 772 144 144 VAL CB C 32.931 0.2 1 773 144 144 VAL N N 118.564 0.2 1 774 145 145 ASP H H 8.489 0.02 1 775 145 145 ASP HA H 4.565 0.02 1 776 145 145 ASP HB3 H 2.622 0.02 2 777 145 145 ASP CA C 53.382 0.2 1 778 145 145 ASP CB C 41.107 0.2 1 779 145 145 ASP N N 124.050 0.2 1 780 146 146 ILE H H 8.074 0.02 1 781 146 146 ILE HA H 4.052 0.02 1 782 146 146 ILE HB H 1.774 0.02 1 783 146 146 ILE CA C 61.273 0.2 1 784 146 146 ILE CB C 38.463 0.2 1 785 146 146 ILE CG1 C 26.854 0.2 1 786 146 146 ILE CG2 C 17.463 0.2 1 787 146 146 ILE CD1 C 13.048 0.2 1 788 146 146 ILE N N 121.203 0.2 1 789 147 147 HIS H H 8.502 0.02 1 790 147 147 HIS CA C 55.591 0.2 1 791 147 147 HIS CB C 29.811 0.2 1 792 147 147 HIS N N 122.970 0.2 1 793 148 148 GLU H H 8.056 0.02 1 794 148 148 GLU CA C 56.856 0.2 1 795 148 148 GLU CB C 29.984 0.2 1 796 148 148 GLU N N 121.283 0.2 1 797 149 149 LYS H H 8.367 0.02 1 798 149 149 LYS CA C 56.157 0.2 1 799 149 149 LYS CB C 33.252 0.2 1 800 149 149 LYS N N 122.025 0.2 1 801 150 150 ASP H H 7.992 0.02 1 802 150 150 ASP CA C 54.151 0.2 1 803 150 150 ASP CB C 41.216 0.2 1 804 150 150 ASP N N 127.145 0.2 1 805 152 152 PRO CA C 63.613 0.2 1 806 152 152 PRO CB C 32.076 0.2 1 807 153 153 THR H H 8.626 0.02 1 808 153 153 THR CA C 62.766 0.2 1 809 153 153 THR CB C 69.779 0.2 1 810 153 153 THR N N 115.027 0.2 1 811 154 154 ILE H H 8.245 0.02 1 812 154 154 ILE CA C 62.436 0.2 1 813 154 154 ILE CB C 38.077 0.2 1 814 154 154 ILE N N 123.382 0.2 1 815 155 155 LEU H H 8.202 0.02 1 816 155 155 LEU CA C 56.176 0.2 1 817 155 155 LEU CB C 42.008 0.2 1 818 155 155 LEU N N 124.277 0.2 1 819 156 156 GLU H H 8.201 0.02 1 820 156 156 GLU N N 121.199 0.2 1 821 157 157 MET CA C 56.764 0.2 1 822 157 157 MET CB C 32.664 0.2 1 823 158 158 ALA H H 8.224 0.02 1 824 158 158 ALA CA C 53.516 0.2 1 825 158 158 ALA CB C 18.543 0.2 1 826 158 158 ALA N N 124.200 0.2 1 827 159 159 LYS H H 8.153 0.02 1 828 159 159 LYS CA C 57.188 0.2 1 829 159 159 LYS CB C 32.688 0.2 1 830 159 159 LYS N N 120.170 0.2 1 831 160 160 ALA H H 8.144 0.02 1 832 160 160 ALA CA C 53.069 0.2 1 833 160 160 ALA CB C 18.755 0.2 1 834 160 160 ALA N N 123.959 0.2 1 835 161 161 ALA H H 8.147 0.02 1 836 161 161 ALA CA C 52.951 0.2 1 837 161 161 ALA CB C 18.849 0.2 1 838 161 161 ALA N N 122.430 0.2 1 839 162 162 GLY H H 8.193 0.02 1 840 162 162 GLY CA C 45.350 0.2 1 841 162 162 GLY N N 107.240 0.2 1 842 163 163 LEU H H 8.000 0.02 1 843 163 163 LEU CA C 55.070 0.2 1 844 163 163 LEU CB C 42.408 0.2 1 845 163 163 LEU N N 121.305 0.2 1 846 164 164 ALA H H 8.324 0.02 1 847 164 164 ALA CA C 52.622 0.2 1 848 164 164 ALA CB C 18.990 0.2 1 849 164 164 ALA N N 124.623 0.2 1 850 165 165 THR H H 8.094 0.02 1 851 165 165 THR CA C 61.965 0.2 1 852 165 165 THR CB C 69.732 0.2 1 853 165 165 THR N N 112.449 0.2 1 854 166 166 GLY H H 8.358 0.02 1 855 166 166 GLY N N 110.629 0.2 1 856 167 167 ASN CA C 53.022 0.2 1 857 167 167 ASN CB C 38.971 0.2 1 858 168 168 VAL H H 8.220 0.02 1 859 168 168 VAL CA C 62.130 0.2 1 860 168 168 VAL CB C 32.735 0.2 1 861 168 168 VAL N N 120.516 0.2 1 862 169 169 SER H H 8.562 0.02 1 863 169 169 SER CA C 58.129 0.2 1 864 169 169 SER CB C 63.801 0.2 1 865 169 169 SER N N 120.016 0.2 1 866 170 170 THR H H 8.315 0.02 1 867 170 170 THR CA C 62.059 0.2 1 868 170 170 THR CB C 69.450 0.2 1 869 170 170 THR N N 116.414 0.2 1 870 171 171 ALA H H 8.296 0.02 1 871 171 171 ALA CA C 52.692 0.2 1 872 171 171 ALA CB C 19.106 0.2 1 873 171 171 ALA N N 125.989 0.2 1 874 172 172 GLU H H 8.368 0.02 1 875 172 172 GLU CA C 56.599 0.2 1 876 172 172 GLU CB C 30.028 0.2 1 877 172 172 GLU N N 119.819 0.2 1 878 173 173 LEU H H 8.257 0.02 1 879 173 173 LEU CA C 55.164 0.2 1 880 173 173 LEU CB C 42.078 0.2 1 881 173 173 LEU N N 123.036 0.2 1 882 174 174 GLN H H 8.400 0.02 1 883 174 174 GLN CA C 55.658 0.2 1 884 174 174 GLN CB C 29.440 0.2 1 885 174 174 GLN N N 121.160 0.2 1 886 175 175 ASP H H 8.385 0.02 1 887 175 175 ASP CA C 54.363 0.2 1 888 175 175 ASP CB C 41.043 0.2 1 889 175 175 ASP N N 121.545 0.2 1 890 176 176 ALA H H 8.278 0.02 1 891 176 176 ALA CA C 52.245 0.2 1 892 176 176 ALA CB C 19.225 0.2 1 893 176 176 ALA N N 124.614 0.2 1 894 177 177 THR H H 8.257 0.02 1 895 177 177 THR N N 116.778 0.2 1 896 178 178 PRO CA C 63.283 0.2 1 897 178 178 PRO CB C 31.958 0.2 1 898 179 179 ALA H H 8.414 0.02 1 899 179 179 ALA CA C 52.763 0.2 1 900 179 179 ALA CB C 18.825 0.2 1 901 179 179 ALA N N 124.161 0.2 1 902 180 180 ALA H H 8.278 0.02 1 903 180 180 ALA CA C 52.551 0.2 1 904 180 180 ALA CB C 18.990 0.2 1 905 180 180 ALA N N 122.690 0.2 1 906 181 181 LEU H H 8.179 0.02 1 907 181 181 LEU CA C 55.234 0.2 1 908 181 181 LEU CB C 45.326 0.2 1 909 181 181 LEU N N 121.035 0.2 1 910 182 182 VAL H H 7.997 0.02 1 911 182 182 VAL CA C 62.389 0.2 1 912 182 182 VAL CB C 32.617 0.2 1 913 182 182 VAL N N 121.112 0.2 1 914 183 183 ALA H H 8.322 0.02 1 915 183 183 ALA N N 127.478 0.2 1 916 189 189 LYS CA C 55.587 0.2 1 917 189 189 LYS CB C 29.510 0.2 1 918 190 190 CYS H H 8.389 0.02 1 919 190 190 CYS CA C 55.070 0.2 1 920 190 190 CYS CB C 41.960 0.2 1 921 190 190 CYS N N 124.866 0.2 1 922 191 191 TYR H H 7.888 0.02 1 923 191 191 TYR N N 128.929 0.2 1 924 195 195 ALA H H 8.289 0.02 1 925 195 195 ALA CA C 52.857 0.2 1 926 195 195 ALA CB C 18.849 0.2 1 927 195 195 ALA N N 125.848 0.2 1 928 196 196 THR H H 8.154 0.02 1 929 196 196 THR N N 114.498 0.2 1 930 201 201 PRO CA C 63.589 0.2 1 931 201 201 PRO CB C 31.911 0.2 1 932 202 202 GLY H H 8.681 0.02 1 933 202 202 GLY CA C 45.208 0.2 1 934 202 202 GLY N N 109.806 0.2 1 935 203 203 ASN H H 8.381 0.02 1 936 203 203 ASN N N 118.925 0.2 1 937 204 204 ALA CA C 52.998 0.2 1 938 204 204 ALA CB C 19.037 0.2 1 939 205 205 LEU H H 8.219 0.02 1 940 205 205 LEU CA C 55.305 0.2 1 941 205 205 LEU CB C 42.055 0.2 1 942 205 205 LEU N N 120.391 0.2 1 943 206 206 GLU H H 8.289 0.02 1 944 206 206 GLU CA C 56.576 0.2 1 945 206 206 GLU CB C 30.075 0.2 1 946 206 206 GLU N N 121.473 0.2 1 947 207 207 LYS H H 8.442 0.02 1 948 207 207 LYS CA C 56.529 0.2 1 949 207 207 LYS CB C 32.735 0.2 1 950 207 207 LYS N N 122.632 0.2 1 951 208 208 GLY H H 8.497 0.02 1 952 208 208 GLY CA C 45.279 0.2 1 953 208 208 GLY N N 109.872 0.2 1 954 209 209 GLY H H 8.349 0.02 1 955 209 209 GLY N N 108.815 0.2 1 956 210 210 LYS CA C 56.576 0.2 1 957 210 210 LYS CB C 32.829 0.2 1 958 211 211 GLY H H 8.595 0.02 1 959 211 211 GLY CA C 45.091 0.2 1 960 211 211 GLY N N 110.302 0.2 1 961 212 212 SER H H 8.276 0.02 1 962 212 212 SER CA C 58.153 0.2 1 963 212 212 SER CB C 64.060 0.2 1 964 212 212 SER N N 115.853 0.2 1 965 213 213 ILE H H 8.421 0.02 1 966 213 213 ILE CB C 38.336 0.2 1 967 213 213 ILE N N 122.767 0.2 1 968 214 214 THR H H 8.103 0.02 1 969 214 214 THR CA C 62.954 0.2 1 970 214 214 THR CB C 69.497 0.2 1 971 214 214 THR N N 117.384 0.2 1 972 215 215 GLU H H 8.298 0.02 1 973 215 215 GLU CA C 57.541 0.2 1 974 215 215 GLU CB C 29.934 0.2 1 975 215 215 GLU N N 123.276 0.2 1 976 216 216 GLN H H 8.367 0.02 1 977 216 216 GLN CA C 56.599 0.2 1 978 216 216 GLN CB C 29.087 0.2 1 979 216 216 GLN N N 120.833 0.2 1 980 217 217 LEU H H 8.232 0.02 1 981 217 217 LEU CA C 55.658 0.2 1 982 217 217 LEU N N 122.642 0.2 1 983 218 218 LEU H H 8.172 0.02 1 984 218 218 LEU CA C 55.823 0.2 1 985 218 218 LEU CB C 42.032 0.2 1 986 218 218 LEU N N 122.074 0.2 1 987 219 219 ASN H H 8.316 0.02 1 988 219 219 ASN CA C 53.351 0.2 1 989 219 219 ASN CB C 38.642 0.2 1 990 219 219 ASN N N 118.615 0.2 1 991 220 220 ALA H H 8.117 0.02 1 992 220 220 ALA CA C 52.763 0.2 1 993 220 220 ALA CB C 19.084 0.2 1 994 220 220 ALA N N 123.929 0.2 1 995 221 221 ARG H H 8.221 0.02 1 996 221 221 ARG CA C 56.011 0.2 1 997 221 221 ARG CB C 30.687 0.2 1 998 221 221 ARG N N 119.718 0.2 1 999 222 222 ALA H H 8.290 0.02 1 1000 222 222 ALA CA C 52.612 0.2 1 1001 222 222 ALA CB C 19.108 0.2 1 1002 222 222 ALA N N 124.979 0.2 1 1003 223 223 ASP H H 8.369 0.02 1 1004 223 223 ASP CA C 54.081 0.2 1 1005 223 223 ASP CB C 40.854 0.2 1 1006 223 223 ASP N N 119.553 0.2 1 1007 224 224 VAL H H 8.143 0.02 1 1008 224 224 VAL CA C 62.436 0.2 1 1009 224 224 VAL CB C 32.382 0.2 1 1010 224 224 VAL N N 120.391 0.2 1 1011 225 225 THR H H 8.372 0.02 1 1012 225 225 THR CB C 66.004 0.2 1 1013 225 225 THR N N 117.711 0.2 1 1014 226 226 LEU H H 8.289 0.02 1 1015 226 226 LEU CA C 55.281 0.2 1 1016 226 226 LEU CB C 42.055 0.2 1 1017 226 226 LEU N N 124.717 0.2 1 1018 227 227 GLY H H 8.461 0.02 1 1019 227 227 GLY CA C 45.279 0.2 1 1020 227 227 GLY N N 109.806 0.2 1 1021 228 228 GLY H H 8.337 0.02 1 1022 228 228 GLY N N 108.620 0.2 1 1023 233 233 PHE CA C 57.823 0.2 1 1024 233 233 PHE CB C 40.948 0.2 1 1025 234 234 ALA H H 8.282 0.02 1 1026 234 234 ALA CA C 52.575 0.2 1 1027 234 234 ALA CB C 19.296 0.2 1 1028 234 234 ALA N N 125.037 0.2 1 1029 235 235 GLU H H 8.360 0.02 1 1030 235 235 GLU CA C 56.710 0.2 1 1031 235 235 GLU CB C 30.189 0.2 1 1032 235 235 GLU N N 120.097 0.2 1 1033 236 236 THR H H 8.169 0.02 1 1034 236 236 THR CA C 61.853 0.2 1 1035 236 236 THR CB C 69.770 0.2 1 1036 236 236 THR N N 115.084 0.2 1 1037 237 237 ALA H H 8.412 0.02 1 1038 237 237 ALA CA C 52.692 0.2 1 1039 237 237 ALA CB C 19.183 0.2 1 1040 237 237 ALA N N 126.729 0.2 1 1041 238 238 THR H H 8.198 0.02 1 1042 238 238 THR CA C 61.781 0.2 1 1043 238 238 THR CB C 69.885 0.2 1 1044 238 238 THR N N 113.758 0.2 1 1045 239 239 ALA H H 8.380 0.02 1 1046 239 239 ALA CA C 52.837 0.2 1 1047 239 239 ALA CB C 19.100 0.2 1 1048 239 239 ALA N N 126.563 0.2 1 1049 240 240 GLY H H 8.361 0.02 1 1050 240 240 GLY CA C 45.277 0.2 1 1051 240 240 GLY N N 108.077 0.2 1 1052 243 243 GLN CA C 56.358 0.2 1 1053 243 243 GLN CB C 28.934 0.2 1 1054 244 244 GLY H H 7.835 0.02 1 1055 244 244 GLY CA C 45.454 0.2 1 1056 244 244 GLY N N 108.795 0.2 1 1057 245 245 LYS H H 8.047 0.02 1 1058 245 245 LYS CA C 56.728 0.2 1 1059 245 245 LYS CB C 33.235 0.2 1 1060 245 245 LYS N N 120.732 0.2 1 1061 246 246 THR H H 8.331 0.02 1 1062 246 246 THR CA C 62.413 0.2 1 1063 246 246 THR CB C 70.013 0.2 1 1064 246 246 THR N N 114.934 0.2 1 1065 247 247 LEU H H 8.400 0.02 1 1066 247 247 LEU CA C 56.663 0.2 1 1067 247 247 LEU CB C 41.676 0.2 1 1068 247 247 LEU N N 123.626 0.2 1 1069 248 248 ARG H H 8.305 0.02 1 1070 248 248 ARG CA C 57.665 0.2 1 1071 248 248 ARG CB C 30.204 0.2 1 1072 248 248 ARG N N 120.973 0.2 1 1073 249 249 GLU H H 8.212 0.02 1 1074 249 249 GLU CA C 57.801 0.2 1 1075 249 249 GLU CB C 30.020 0.2 1 1076 249 249 GLU N N 120.775 0.2 1 1077 250 250 GLN H H 8.381 0.02 1 1078 250 250 GLN CA C 57.139 0.2 1 1079 250 250 GLN CB C 29.062 0.2 1 1080 250 250 GLN N N 120.752 0.2 1 1081 251 251 ALA H H 8.180 0.02 1 1082 251 251 ALA CA C 53.597 0.2 1 1083 251 251 ALA CB C 18.664 0.2 1 1084 251 251 ALA N N 123.510 0.2 1 1085 252 252 GLN H H 8.167 0.02 1 1086 252 252 GLN CA C 56.623 0.2 1 1087 252 252 GLN CB C 29.083 0.2 1 1088 252 252 GLN N N 118.691 0.2 1 1089 253 253 ALA H H 8.105 0.02 1 1090 253 253 ALA CA C 53.116 0.2 1 1091 253 253 ALA CB C 18.721 0.2 1 1092 253 253 ALA N N 124.055 0.2 1 1093 254 254 ARG H H 8.124 0.02 1 1094 254 254 ARG CA C 56.566 0.2 1 1095 254 254 ARG CB C 30.531 0.2 1 1096 254 254 ARG N N 119.150 0.2 1 1097 255 255 GLY H H 8.212 0.02 1 1098 255 255 GLY CA C 45.313 0.2 1 1099 255 255 GLY N N 108.811 0.2 1 1100 257 257 GLN CA C 55.451 0.2 1 1101 257 257 GLN CB C 29.570 0.2 1 1102 258 258 LEU H H 8.270 0.02 1 1103 258 258 LEU CA C 55.339 0.2 1 1104 258 258 LEU CB C 42.278 0.2 1 1105 258 258 LEU N N 123.638 0.2 1 1106 259 259 VAL H H 8.203 0.02 1 1107 259 259 VAL CA C 62.344 0.2 1 1108 259 259 VAL CB C 32.739 0.2 1 1109 259 259 VAL N N 121.692 0.2 1 1110 260 260 SER H H 8.400 0.02 1 1111 260 260 SER CA C 58.338 0.2 1 1112 260 260 SER CB C 63.616 0.2 1 1113 260 260 SER N N 119.441 0.2 1 1114 261 261 ASP H H 8.391 0.02 1 1115 261 261 ASP CA C 54.333 0.2 1 1116 261 261 ASP CB C 40.950 0.2 1 1117 261 261 ASP N N 122.952 0.2 1 1118 262 262 ALA H H 8.278 0.02 1 1119 262 262 ALA CA C 53.344 0.2 1 1120 262 262 ALA CB C 18.722 0.2 1 1121 262 262 ALA N N 124.499 0.2 1 1122 263 263 ALA H H 8.244 0.02 1 1123 263 263 ALA CA C 53.055 0.2 1 1124 263 263 ALA CB C 18.726 0.2 1 1125 263 263 ALA N N 121.891 0.2 1 1126 264 264 SER H H 8.117 0.02 1 1127 264 264 SER CA C 58.757 0.2 1 1128 264 264 SER CB C 63.567 0.2 1 1129 264 264 SER N N 114.530 0.2 1 1130 265 265 LEU H H 8.136 0.02 1 1131 265 265 LEU CA C 55.652 0.2 1 1132 265 265 LEU CB C 41.976 0.2 1 1133 265 265 LEU N N 123.592 0.2 1 1134 266 266 ASN H H 8.339 0.02 1 1135 266 266 ASN CA C 53.480 0.2 1 1136 266 266 ASN CB C 38.742 0.2 1 1137 266 266 ASN N N 118.552 0.2 1 1138 267 267 SER H H 8.201 0.02 1 1139 267 267 SER CA C 58.734 0.2 1 1140 267 267 SER CB C 63.579 0.2 1 1141 267 267 SER N N 115.933 0.2 1 1142 268 268 VAL H H 8.196 0.02 1 1143 268 268 VAL CA C 62.772 0.2 1 1144 268 268 VAL CB C 32.363 0.2 1 1145 268 268 VAL N N 122.245 0.2 1 1146 269 269 THR H H 8.240 0.02 1 1147 269 269 THR CA C 62.296 0.2 1 1148 269 269 THR CB C 69.781 0.2 1 1149 269 269 THR N N 117.850 0.2 1 1150 270 270 GLU H H 8.429 0.02 1 1151 270 270 GLU CA C 57.039 0.2 1 1152 270 270 GLU CB C 30.035 0.2 1 1153 270 270 GLU N N 123.358 0.2 1 1154 271 271 ALA H H 8.328 0.02 1 1155 271 271 ALA HB H 1.410 0.02 1 1156 271 271 ALA CA C 53.092 0.2 1 1157 271 271 ALA CB C 18.997 0.2 1 1158 271 271 ALA N N 124.286 0.2 1 1159 272 272 ASN H H 8.347 0.02 1 1160 272 272 ASN CA C 53.338 0.2 1 1161 272 272 ASN CB C 38.620 0.2 1 1162 272 272 ASN N N 116.935 0.2 1 1163 273 273 GLN H H 8.195 0.02 1 1164 273 273 GLN CA C 55.961 0.2 1 1165 273 273 GLN CB C 29.190 0.2 1 1166 273 273 GLN N N 120.082 0.2 1 1167 274 274 GLN H H 8.415 0.02 1 1168 274 274 GLN CA C 57.013 0.2 1 1169 274 274 GLN CB C 30.023 0.2 1 1170 274 274 GLN N N 121.592 0.2 1 1171 275 275 LYS H H 8.323 0.02 1 1172 275 275 LYS CA C 56.734 0.2 1 1173 275 275 LYS CB C 32.753 0.2 1 1174 275 275 LYS N N 121.102 0.2 1 1175 276 276 PRO CA C 63.015 0.2 1 1176 276 276 PRO CB C 31.895 0.2 1 1177 277 277 LEU H H 8.394 0.02 1 1178 277 277 LEU HD1 H 0.787 0.02 2 1179 277 277 LEU HD2 H 0.840 0.02 2 1180 277 277 LEU CA C 55.161 0.2 1 1181 277 277 LEU CB C 42.048 0.2 1 1182 277 277 LEU CD1 C 24.817 0.2 2 1183 277 277 LEU CD2 C 23.790 0.2 2 1184 277 277 LEU N N 122.653 0.2 1 1185 278 278 LEU H H 8.233 0.02 1 1186 278 278 LEU HD1 H 0.850 0.02 2 1187 278 278 LEU HD2 H 0.722 0.02 2 1188 278 278 LEU CA C 55.035 0.2 1 1189 278 278 LEU CB C 42.321 0.2 1 1190 278 278 LEU CD1 C 25.268 0.2 2 1191 278 278 LEU CD2 C 23.830 0.2 2 1192 278 278 LEU N N 122.648 0.2 1 1193 279 279 GLY H H 8.354 0.02 1 1194 279 279 GLY CA C 45.126 0.2 1 1195 279 279 GLY N N 109.278 0.2 1 1196 280 280 LEU H H 8.011 0.02 1 1197 280 280 LEU HD1 H 0.881 0.02 2 1198 280 280 LEU HD2 H 0.854 0.02 2 1199 280 280 LEU CA C 55.114 0.2 1 1200 280 280 LEU CB C 42.281 0.2 1 1201 280 280 LEU CD1 C 24.972 0.2 2 1202 280 280 LEU CD2 C 23.610 0.2 2 1203 280 280 LEU N N 121.388 0.2 1 1204 281 281 PHE H H 8.289 0.02 1 1205 281 281 PHE HD1 H 7.158 0.02 3 1206 281 281 PHE HE1 H 6.952 0.02 3 1207 281 281 PHE HZ H 7.070 0.02 1 1208 281 281 PHE CA C 57.321 0.2 1 1209 281 281 PHE CB C 39.498 0.2 1 1210 281 281 PHE N N 120.113 0.2 1 1211 282 282 ALA H H 8.253 0.02 1 1212 282 282 ALA HB H 1.370 0.02 1 1213 282 282 ALA CA C 52.550 0.2 1 1214 282 282 ALA CB C 19.237 0.2 1 1215 282 282 ALA N N 125.275 0.2 1 1216 283 283 ASP H H 8.254 0.02 1 1217 283 283 ASP CA C 54.360 0.2 1 1218 283 283 ASP CB C 40.952 0.2 1 1219 283 283 ASP N N 119.224 0.2 1 1220 284 284 GLY H H 8.332 0.02 1 1221 284 284 GLY CA C 45.544 0.2 1 1222 284 284 GLY N N 109.121 0.2 1 1223 285 285 ASN H H 8.315 0.02 1 1224 285 285 ASN CA C 53.010 0.2 1 1225 285 285 ASN CB C 38.814 0.2 1 1226 285 285 ASN N N 118.476 0.2 1 1227 286 286 MET H H 8.189 0.02 1 1228 286 286 MET HE H 2.047 0.02 1 1229 286 286 MET CB C 32.139 0.2 1 1230 286 286 MET CE C 17.128 0.2 1 1231 286 286 MET N N 121.496 0.2 1 1232 287 287 PRO CA C 62.999 0.2 1 1233 287 287 PRO CB C 31.846 0.2 1 1234 288 288 VAL H H 8.246 0.02 1 1235 288 288 VAL HG1 H 0.918 0.02 2 1236 288 288 VAL HG2 H 0.920 0.02 2 1237 288 288 VAL CA C 62.500 0.2 1 1238 288 288 VAL CB C 32.523 0.2 1 1239 288 288 VAL CG1 C 21.195 0.2 2 1240 288 288 VAL CG2 C 20.396 0.2 2 1241 288 288 VAL N N 120.749 0.2 1 1242 289 289 ARG H H 8.345 0.02 1 1243 289 289 ARG CA C 55.790 0.2 1 1244 289 289 ARG CB C 30.745 0.2 1 1245 289 289 ARG N N 124.368 0.2 1 1246 290 290 TRP H H 8.313 0.02 1 1247 290 290 TRP HD1 H 7.087 0.02 1 1248 290 290 TRP HE1 H 10.105 0.02 1 1249 290 290 TRP HE3 H 7.328 0.02 1 1250 290 290 TRP HZ2 H 7.276 0.02 1 1251 290 290 TRP HZ3 H 6.951 0.02 1 1252 290 290 TRP HH2 H 6.983 0.02 1 1253 290 290 TRP CA C 57.243 0.2 1 1254 290 290 TRP CB C 29.590 0.2 1 1255 290 290 TRP N N 123.192 0.2 1 1256 290 290 TRP NE1 N 129.643 0.2 1 1257 291 291 LEU H H 8.151 0.02 1 1258 291 291 LEU HD1 H 0.858 0.02 2 1259 291 291 LEU HD2 H 0.845 0.02 2 1260 291 291 LEU CA C 54.506 0.2 1 1261 291 291 LEU CB C 42.645 0.2 1 1262 291 291 LEU CD1 C 24.509 0.2 2 1263 291 291 LEU CD2 C 23.328 0.2 2 1264 291 291 LEU N N 125.708 0.2 1 1265 292 292 GLY H H 7.269 0.02 1 1266 292 292 GLY CA C 44.418 0.2 1 1267 292 292 GLY N N 108.683 0.2 1 1268 293 293 PRO CA C 63.143 0.2 1 1269 293 293 PRO CB C 32.137 0.2 1 1270 294 294 LYS H H 8.446 0.02 1 1271 294 294 LYS CA C 56.261 0.2 1 1272 294 294 LYS CB C 32.870 0.2 1 1273 294 294 LYS N N 121.483 0.2 1 1274 295 295 ALA H H 8.263 0.02 1 1275 295 295 ALA HB H 1.397 0.02 1 1276 295 295 ALA CA C 52.446 0.2 1 1277 295 295 ALA CB C 19.149 0.2 1 1278 295 295 ALA N N 125.130 0.2 1 1279 296 296 THR H H 8.072 0.02 1 1280 296 296 THR HG2 H 1.107 0.02 1 1281 296 296 THR CA C 61.670 0.2 1 1282 296 296 THR CB C 69.897 0.2 1 1283 296 296 THR CG2 C 20.877 0.2 1 1284 296 296 THR N N 113.442 0.2 1 1285 297 297 TYR H H 8.216 0.02 1 1286 297 297 TYR CA C 57.701 0.2 1 1287 297 297 TYR CB C 38.965 0.2 1 1288 297 297 TYR N N 122.748 0.2 1 1289 298 298 HIS CA C 56.240 0.2 1 1290 298 298 HIS CB C 30.965 0.2 1 1291 299 299 GLY H H 7.680 0.02 1 1292 299 299 GLY CA C 45.153 0.2 1 1293 299 299 GLY N N 109.087 0.2 1 1294 300 300 ASN H H 8.455 0.02 1 1295 300 300 ASN CA C 53.186 0.2 1 1296 300 300 ASN CB C 38.730 0.2 1 1297 300 300 ASN N N 118.711 0.2 1 1298 301 301 ILE H H 8.157 0.02 1 1299 301 301 ILE HD1 H 0.821 0.02 1 1300 301 301 ILE CA C 61.209 0.2 1 1301 301 301 ILE CB C 38.689 0.2 1 1302 301 301 ILE CD1 C 13.137 0.2 1 1303 301 301 ILE N N 120.953 0.2 1 1304 302 302 ASP H H 8.407 0.02 1 1305 302 302 ASP CA C 54.358 0.2 1 1306 302 302 ASP CB C 41.004 0.2 1 1307 302 302 ASP N N 124.136 0.2 1 1308 303 303 LYS H H 8.152 0.02 1 1309 303 303 LYS CA C 54.025 0.2 1 1310 303 303 LYS CB C 32.662 0.2 1 1311 303 303 LYS N N 122.532 0.2 1 1312 304 304 PRO CA C 62.881 0.2 1 1313 304 304 PRO CB C 31.965 0.2 1 1314 305 305 ALA H H 8.500 0.02 1 1315 305 305 ALA HB H 1.376 0.02 1 1316 305 305 ALA CA C 52.313 0.2 1 1317 305 305 ALA CB C 19.481 0.2 1 1318 305 305 ALA N N 124.927 0.2 1 1319 306 306 VAL H H 8.271 0.02 1 1320 306 306 VAL HG1 H 0.938 0.02 2 1321 306 306 VAL HG2 H 0.939 0.02 2 1322 306 306 VAL CA C 62.110 0.2 1 1323 306 306 VAL CB C 32.788 0.2 1 1324 306 306 VAL CG1 C 21.152 0.2 2 1325 306 306 VAL CG2 C 20.351 0.2 2 1326 306 306 VAL N N 120.021 0.2 1 1327 307 307 THR H H 8.351 0.02 1 1328 307 307 THR HG2 H 1.176 0.02 1 1329 307 307 THR CA C 61.636 0.2 1 1330 307 307 THR CB C 69.872 0.2 1 1331 307 307 THR CG2 C 21.301 0.2 1 1332 307 307 THR N N 118.680 0.2 1 1333 309 309 THR HG2 H 1.146 0.02 1 1334 309 309 THR CG2 C 21.044 0.2 1 1335 312 312 PRO CA C 63.353 0.2 1 1336 312 312 PRO CB C 31.940 0.2 1 1337 313 313 GLN H H 8.436 0.02 1 1338 313 313 GLN CA C 55.842 0.2 1 1339 313 313 GLN CB C 29.190 0.2 1 1340 313 313 GLN N N 120.165 0.2 1 1341 314 314 ARG H H 8.354 0.02 1 1342 314 314 ARG CA C 55.778 0.2 1 1343 314 314 ARG N N 121.047 0.2 1 1344 315 315 ASN CA C 53.125 0.2 1 1345 315 315 ASN CB C 38.687 0.2 1 1346 316 316 ASP H H 8.423 0.02 1 1347 316 316 ASP CA C 54.252 0.2 1 1348 316 316 ASP CB C 40.920 0.2 1 1349 316 316 ASP N N 121.088 0.2 1 1350 317 317 SER H H 8.241 0.02 1 1351 317 317 SER CA C 58.516 0.2 1 1352 317 317 SER CB C 63.621 0.2 1 1353 317 317 SER N N 115.824 0.2 1 1354 318 318 VAL H H 8.165 0.02 1 1355 318 318 VAL CA C 60.066 0.2 1 1356 318 318 VAL CB C 32.359 0.2 1 1357 318 318 VAL N N 123.411 0.2 1 1358 324 324 MET CA C 55.843 0.2 1 1359 324 324 MET CB C 32.773 0.2 1 1360 325 325 THR H H 8.155 0.02 1 1361 325 325 THR CA C 62.118 0.2 1 1362 325 325 THR CB C 69.933 0.2 1 1363 325 325 THR N N 114.959 0.2 1 1364 326 326 ASP H H 8.413 0.02 1 1365 326 326 ASP CB C 40.634 0.2 1 1366 326 326 ASP N N 122.558 0.2 1 1367 327 327 LYS CA C 56.888 0.2 1 1368 327 327 LYS CB C 32.517 0.2 1 1369 328 328 ALA H H 8.194 0.02 1 1370 328 328 ALA CA C 53.499 0.2 1 1371 328 328 ALA CB C 18.721 0.2 1 1372 328 328 ALA N N 124.259 0.2 1 1373 329 329 ILE H H 8.061 0.02 1 1374 329 329 ILE CA C 62.455 0.2 1 1375 329 329 ILE CB C 38.239 0.2 1 1376 329 329 ILE N N 119.836 0.2 1 1377 330 330 GLU H H 8.299 0.02 1 1378 330 330 GLU CA C 57.494 0.2 1 1379 330 330 GLU CB C 29.955 0.2 1 1380 330 330 GLU N N 123.918 0.2 1 1381 331 331 LEU H H 8.130 0.02 1 1382 331 331 LEU CA C 55.871 0.2 1 1383 331 331 LEU CB C 42.141 0.2 1 1384 331 331 LEU N N 121.960 0.2 1 1385 332 332 LEU H H 8.020 0.02 1 1386 332 332 LEU CA C 55.720 0.2 1 1387 332 332 LEU CB C 42.218 0.2 1 1388 332 332 LEU N N 121.476 0.2 1 1389 333 333 SER H H 8.192 0.02 1 1390 333 333 SER CA C 58.900 0.2 1 1391 333 333 SER CB C 63.542 0.2 1 1392 333 333 SER N N 115.740 0.2 1 1393 337 337 LYS CA C 56.669 0.2 1 1394 337 337 LYS CB C 32.727 0.2 1 1395 338 338 GLY H H 8.260 0.02 1 1396 338 338 GLY CA C 45.160 0.2 1 1397 338 338 GLY N N 108.864 0.2 1 1398 339 339 PHE H H 7.976 0.02 1 1399 339 339 PHE CA C 57.847 0.2 1 1400 339 339 PHE CB C 39.605 0.2 1 1401 339 339 PHE N N 119.932 0.2 1 1402 340 340 PHE H H 8.163 0.02 1 1403 340 340 PHE CA C 57.502 0.2 1 1404 340 340 PHE CB C 39.595 0.2 1 1405 340 340 PHE N N 121.738 0.2 1 1406 341 341 LEU H H 8.087 0.02 1 1407 341 341 LEU CA C 54.800 0.2 1 1408 341 341 LEU CB C 42.442 0.2 1 1409 341 341 LEU N N 124.163 0.2 1 1410 342 342 GLN H H 8.351 0.02 1 1411 342 342 GLN CA C 55.567 0.2 1 1412 342 342 GLN CB C 29.369 0.2 1 1413 342 342 GLN N N 122.463 0.2 1 1414 343 343 VAL H H 8.284 0.02 1 1415 343 343 VAL CA C 62.144 0.2 1 1416 343 343 VAL CB C 32.857 0.2 1 1417 343 343 VAL N N 122.668 0.2 1 1418 344 344 GLU H H 8.633 0.02 1 1419 344 344 GLU CA C 56.814 0.2 1 1420 344 344 GLU CB C 30.052 0.2 1 1421 344 344 GLU N N 125.545 0.2 1 1422 345 345 GLY H H 8.582 0.02 1 1423 345 345 GLY CA C 45.126 0.2 1 1424 345 345 GLY N N 111.248 0.2 1 1425 346 346 ALA H H 8.114 0.02 1 1426 346 346 ALA CA C 52.193 0.2 1 1427 346 346 ALA CB C 19.598 0.2 1 1428 346 346 ALA N N 123.601 0.2 1 1429 347 347 SER H H 8.431 0.02 1 1430 347 347 SER CA C 58.046 0.2 1 1431 347 347 SER CB C 63.656 0.2 1 1432 347 347 SER N N 115.959 0.2 1 1433 348 348 ILE H H 8.324 0.02 1 1434 348 348 ILE CA C 61.095 0.2 1 1435 348 348 ILE CB C 38.906 0.2 1 1436 348 348 ILE N N 122.449 0.2 1 1437 349 349 ASP H H 7.982 0.02 1 1438 349 349 ASP C C 176.226 0.2 1 1439 349 349 ASP CA C 54.540 0.2 1 1440 349 349 ASP CB C 41.132 0.2 1 1441 349 349 ASP N N 129.194 0.2 1 1442 350 350 LYS H H 8.333 0.02 1 1443 350 350 LYS C C 176.554 0.2 1 1444 350 350 LYS CA C 56.387 0.2 1 1445 350 350 LYS CB C 32.849 0.2 1 1446 350 350 LYS N N 121.577 0.2 1 1447 351 351 GLN H H 8.504 0.02 1 1448 351 351 GLN C C 175.667 0.2 1 1449 351 351 GLN CA C 55.805 0.2 1 1450 351 351 GLN CB C 29.359 0.2 1 1451 351 351 GLN N N 121.375 0.2 1 1452 352 352 ASP H H 8.428 0.02 1 1453 352 352 ASP C C 176.253 0.2 1 1454 352 352 ASP CA C 54.269 0.2 1 1455 352 352 ASP CB C 40.994 0.2 1 1456 352 352 ASP N N 121.599 0.2 1 1457 353 353 HIS H H 8.162 0.02 1 1458 353 353 HIS C C 175.419 0.2 1 1459 353 353 HIS CA C 56.631 0.2 1 1460 353 353 HIS CB C 30.736 0.2 1 1461 353 353 HIS N N 120.400 0.2 1 1462 354 354 ALA H H 8.242 0.02 1 1463 354 354 ALA CA C 52.531 0.2 1 1464 354 354 ALA CB C 18.866 0.2 1 1465 354 354 ALA N N 124.496 0.2 1 1466 357 357 PRO C C 177.143 0.2 1 1467 357 357 PRO CA C 63.678 0.2 1 1468 357 357 PRO CB C 32.010 0.2 1 1469 358 358 CYS H H 8.512 0.02 1 1470 358 358 CYS C C 175.269 0.2 1 1471 358 358 CYS CA C 58.886 0.2 1 1472 358 358 CYS CB C 27.967 0.2 1 1473 358 358 CYS N N 119.078 0.2 1 1474 359 359 GLY H H 8.401 0.02 1 1475 359 359 GLY C C 173.818 0.2 1 1476 359 359 GLY CA C 45.316 0.2 1 1477 359 359 GLY N N 111.014 0.2 1 1478 360 360 GLN H H 8.329 0.02 1 1479 360 360 GLN C C 176.021 0.2 1 1480 360 360 GLN CA C 55.608 0.2 1 1481 360 360 GLN CB C 29.586 0.2 1 1482 360 360 GLN N N 120.197 0.2 1 1483 361 361 ILE H H 8.405 0.02 1 1484 361 361 ILE C C 176.762 0.2 1 1485 361 361 ILE CA C 61.423 0.2 1 1486 361 361 ILE CB C 38.624 0.2 1 1487 361 361 ILE N N 123.139 0.2 1 1488 362 362 GLY H H 8.589 0.02 1 1489 362 362 GLY C C 173.887 0.2 1 1490 362 362 GLY CA C 45.030 0.2 1 1491 362 362 GLY N N 113.375 0.2 1 1492 363 363 GLU H H 8.363 0.02 1 1493 363 363 GLU C C 176.773 0.2 1 1494 363 363 GLU CA C 56.428 0.2 1 1495 363 363 GLU CB C 30.586 0.2 1 1496 363 363 GLU N N 120.662 0.2 1 1497 364 364 THR H H 8.440 0.02 1 1498 364 364 THR C C 174.393 0.2 1 1499 364 364 THR CA C 61.992 0.2 1 1500 364 364 THR CB C 69.832 0.2 1 1501 364 364 THR N N 116.560 0.2 1 1502 365 365 VAL H H 8.305 0.02 1 1503 365 365 VAL C C 175.542 0.2 1 1504 365 365 VAL CA C 62.147 0.2 1 1505 365 365 VAL CB C 32.964 0.2 1 1506 365 365 VAL N N 123.145 0.2 1 1507 366 366 ASP H H 8.519 0.02 1 1508 366 366 ASP C C 176.377 0.2 1 1509 366 366 ASP CA C 54.251 0.2 1 1510 366 366 ASP CB C 41.123 0.2 1 1511 366 366 ASP N N 124.682 0.2 1 1512 367 367 LEU H H 8.395 0.02 1 1513 367 367 LEU C C 177.621 0.2 1 1514 367 367 LEU CA C 55.910 0.2 1 1515 367 367 LEU CB C 42.368 0.2 1 1516 367 367 LEU N N 123.935 0.2 1 1517 368 368 ASP H H 8.438 0.02 1 1518 368 368 ASP C C 177.556 0.2 1 1519 368 368 ASP CA C 55.317 0.2 1 1520 368 368 ASP CB C 41.055 0.2 1 1521 368 368 ASP N N 121.170 0.2 1 1522 369 369 GLU H H 8.506 0.02 1 1523 369 369 GLU C C 177.731 0.2 1 1524 369 369 GLU CA C 58.770 0.2 1 1525 369 369 GLU CB C 29.669 0.2 1 1526 369 369 GLU N N 122.862 0.2 1 1527 370 370 ALA H H 8.273 0.02 1 1528 370 370 ALA C C 180.481 0.2 1 1529 370 370 ALA CA C 54.769 0.2 1 1530 370 370 ALA CB C 18.366 0.2 1 1531 370 370 ALA N N 122.377 0.2 1 1532 371 371 VAL H H 7.938 0.02 1 1533 371 371 VAL C C 178.005 0.2 1 1534 371 371 VAL CA C 65.283 0.2 1 1535 371 371 VAL CB C 31.985 0.2 1 1536 371 371 VAL N N 120.403 0.2 1 1537 372 372 GLN H H 8.146 0.02 1 1538 372 372 GLN C C 178.336 0.2 1 1539 372 372 GLN CA C 58.186 0.2 1 1540 372 372 GLN CB C 28.323 0.2 1 1541 372 372 GLN N N 120.250 0.2 1 1542 373 373 ARG H H 8.381 0.02 1 1543 373 373 ARG C C 178.226 0.2 1 1544 373 373 ARG CA C 58.449 0.2 1 1545 373 373 ARG CB C 30.398 0.2 1 1546 373 373 ARG N N 119.865 0.2 1 1547 374 374 ALA H H 7.918 0.02 1 1548 374 374 ALA C C 180.043 0.2 1 1549 374 374 ALA CA C 54.351 0.2 1 1550 374 374 ALA CB C 18.137 0.2 1 1551 374 374 ALA N N 122.621 0.2 1 1552 375 375 LEU H H 8.121 0.02 1 1553 375 375 LEU C C 179.126 0.2 1 1554 375 375 LEU CA C 57.035 0.2 1 1555 375 375 LEU CB C 41.944 0.2 1 1556 375 375 LEU N N 120.716 0.2 1 1557 376 376 GLU H H 8.094 0.02 1 1558 376 376 GLU C C 178.207 0.2 1 1559 376 376 GLU CA C 58.204 0.2 1 1560 376 376 GLU CB C 29.644 0.2 1 1561 376 376 GLU N N 119.887 0.2 1 1562 377 377 PHE H H 8.194 0.02 1 1563 377 377 PHE C C 176.746 0.2 1 1564 377 377 PHE CA C 59.571 0.2 1 1565 377 377 PHE CB C 39.117 0.2 1 1566 377 377 PHE N N 119.912 0.2 1 1567 378 378 ALA H H 7.993 0.02 1 1568 378 378 ALA C C 178.650 0.2 1 1569 378 378 ALA CA C 53.474 0.2 1 1570 378 378 ALA CB C 18.772 0.2 1 1571 378 378 ALA N N 122.320 0.2 1 1572 379 379 LYS H H 7.953 0.02 1 1573 379 379 LYS C C 177.375 0.2 1 1574 379 379 LYS CA C 57.288 0.2 1 1575 379 379 LYS CB C 32.851 0.2 1 1576 379 379 LYS N N 119.012 0.2 1 1577 380 380 LYS H H 8.045 0.02 1 1578 380 380 LYS CA C 57.002 0.2 1 1579 380 380 LYS CB C 32.853 0.2 1 1580 380 380 LYS N N 121.514 0.2 1 1581 383 383 ASN C C 175.487 0.2 1 1582 383 383 ASN CA C 53.226 0.2 1 1583 383 383 ASN CB C 38.958 0.2 1 1584 384 384 THR H H 8.237 0.02 1 1585 384 384 THR C C 174.270 0.2 1 1586 384 384 THR CA C 62.183 0.2 1 1587 384 384 THR CB C 69.656 0.2 1 1588 384 384 THR N N 115.229 0.2 1 1589 385 385 LEU H H 8.316 0.02 1 1590 385 385 LEU C C 176.871 0.2 1 1591 385 385 LEU CA C 55.239 0.2 1 1592 385 385 LEU CB C 42.371 0.2 1 1593 385 385 LEU N N 125.313 0.2 1 1594 386 386 VAL H H 8.251 0.02 1 1595 386 386 VAL C C 175.745 0.2 1 1596 386 386 VAL CA C 62.359 0.2 1 1597 386 386 VAL CB C 32.641 0.2 1 1598 386 386 VAL N N 123.444 0.2 1 1599 387 387 ILE H H 8.422 0.02 1 1600 387 387 ILE C C 176.089 0.2 1 1601 387 387 ILE CA C 60.656 0.2 1 1602 387 387 ILE CB C 38.403 0.2 1 1603 387 387 ILE N N 126.974 0.2 1 1604 388 388 VAL H H 8.498 0.02 1 1605 388 388 VAL C C 176.212 0.2 1 1606 388 388 VAL CA C 62.120 0.2 1 1607 388 388 VAL CB C 32.769 0.2 1 1608 388 388 VAL N N 126.535 0.2 1 1609 389 389 THR H H 8.362 0.02 1 1610 389 389 THR C C 174.271 0.2 1 1611 389 389 THR CA C 61.631 0.2 1 1612 389 389 THR CB C 69.930 0.2 1 1613 389 389 THR N N 119.603 0.2 1 1614 390 390 ALA H H 8.489 0.02 1 1615 390 390 ALA CA C 52.595 0.2 1 1616 390 390 ALA CB C 19.270 0.2 1 1617 390 390 ALA N N 126.413 0.2 1 1618 392 392 HIS H H 8.382 0.02 1 1619 392 392 HIS C C 175.282 0.2 1 1620 392 392 HIS CA C 55.894 0.2 1 1621 392 392 HIS CB C 31.696 0.2 1 1622 392 392 HIS N N 122.189 0.2 1 1623 393 393 ALA H H 8.579 0.02 1 1624 393 393 ALA C C 177.608 0.2 1 1625 393 393 ALA CA C 52.561 0.2 1 1626 393 393 ALA CB C 19.309 0.2 1 1627 393 393 ALA N N 125.811 0.2 1 1628 394 394 HIS H H 8.501 0.02 1 1629 394 394 HIS C C 175.679 0.2 1 1630 394 394 HIS CA C 56.568 0.2 1 1631 394 394 HIS CB C 30.882 0.2 1 1632 394 394 HIS N N 119.332 0.2 1 1633 395 395 ALA H H 8.229 0.02 1 1634 395 395 ALA C C 177.895 0.2 1 1635 395 395 ALA CA C 52.900 0.2 1 1636 395 395 ALA CB C 18.997 0.2 1 1637 395 395 ALA N N 124.989 0.2 1 1638 396 396 SER H H 8.418 0.02 1 1639 396 396 SER CA C 58.594 0.2 1 1640 396 396 SER CB C 63.689 0.2 1 1641 396 396 SER N N 114.928 0.2 1 1642 397 397 GLN CA C 55.635 0.2 1 1643 397 397 GLN CB C 29.328 0.2 1 1644 398 398 ILE H H 8.207 0.02 1 1645 398 398 ILE C C 176.105 0.2 1 1646 398 398 ILE CA C 61.123 0.2 1 1647 398 398 ILE CB C 38.396 0.2 1 1648 398 398 ILE N N 122.752 0.2 1 1649 399 399 VAL H H 8.354 0.02 1 1650 399 399 VAL C C 175.337 0.2 1 1651 399 399 VAL CA C 61.845 0.2 1 1652 399 399 VAL CB C 32.814 0.2 1 1653 399 399 VAL N N 126.108 0.2 1 1654 400 400 ALA H H 8.570 0.02 1 1655 400 400 ALA CA C 50.366 0.2 1 1656 400 400 ALA CB C 18.020 0.2 1 1657 400 400 ALA N N 130.360 0.2 1 1658 401 401 PRO C C 176.609 0.2 1 1659 401 401 PRO CA C 63.041 0.2 1 1660 401 401 PRO CB C 32.070 0.2 1 1661 402 402 ASP H H 8.535 0.02 1 1662 402 402 ASP C C 176.609 0.2 1 1663 402 402 ASP CA C 54.140 0.2 1 1664 402 402 ASP CB C 40.993 0.2 1 1665 402 402 ASP N N 120.434 0.2 1 1666 403 403 THR H H 8.170 0.02 1 1667 403 403 THR C C 174.571 0.2 1 1668 403 403 THR CA C 62.101 0.2 1 1669 403 403 THR CB C 69.609 0.2 1 1670 403 403 THR N N 115.291 0.2 1 1671 404 404 LYS H H 8.386 0.02 1 1672 404 404 LYS C C 175.966 0.2 1 1673 404 404 LYS CA C 55.979 0.2 1 1674 404 404 LYS CB C 32.873 0.2 1 1675 404 404 LYS N N 123.849 0.2 1 1676 405 405 ALA H H 8.345 0.02 1 1677 405 405 ALA CA C 50.627 0.2 1 1678 405 405 ALA CB C 17.940 0.2 1 1679 405 405 ALA N N 126.944 0.2 1 1680 408 408 LEU C C 177.840 0.2 1 1681 408 408 LEU CA C 55.305 0.2 1 1682 408 408 LEU CB C 42.401 0.2 1 1683 409 409 THR H H 8.254 0.02 1 1684 409 409 THR C C 174.434 0.2 1 1685 409 409 THR CA C 62.057 0.2 1 1686 409 409 THR CB C 69.707 0.2 1 1687 409 409 THR N N 115.396 0.2 1 1688 410 410 GLN H H 8.455 0.02 1 1689 410 410 GLN C C 175.544 0.2 1 1690 410 410 GLN CA C 55.788 0.2 1 1691 410 410 GLN CB C 29.647 0.2 1 1692 410 410 GLN N N 123.139 0.2 1 1693 411 411 ALA H H 8.441 0.02 1 1694 411 411 ALA C C 177.608 0.2 1 1695 411 411 ALA CA C 52.496 0.2 1 1696 411 411 ALA CB C 19.177 0.2 1 1697 411 411 ALA N N 125.750 0.2 1 1698 412 412 LEU H H 8.349 0.02 1 1699 412 412 LEU C C 177.156 0.2 1 1700 412 412 LEU CA C 55.140 0.2 1 1701 412 412 LEU CB C 42.433 0.2 1 1702 412 412 LEU N N 121.517 0.2 1 1703 413 413 ASN H H 8.556 0.02 1 1704 413 413 ASN C C 175.501 0.2 1 1705 413 413 ASN CA C 53.131 0.2 1 1706 413 413 ASN CB C 38.779 0.2 1 1707 413 413 ASN N N 119.614 0.2 1 1708 414 414 THR H H 8.193 0.02 1 1709 414 414 THR C C 174.844 0.2 1 1710 414 414 THR CA C 61.850 0.2 1 1711 414 414 THR CB C 69.874 0.2 1 1712 414 414 THR N N 114.360 0.2 1 1713 415 415 LYS H H 8.467 0.02 1 1714 415 415 LYS CA C 56.675 0.2 1 1715 415 415 LYS CB C 32.855 0.2 1 1716 415 415 LYS N N 123.206 0.2 1 1717 416 416 ASP C C 176.678 0.2 1 1718 416 416 ASP CA C 54.670 0.2 1 1719 416 416 ASP CB C 41.036 0.2 1 1720 417 417 GLY H H 8.360 0.02 1 1721 417 417 GLY C C 173.887 0.2 1 1722 417 417 GLY CA C 45.364 0.2 1 1723 417 417 GLY N N 109.400 0.2 1 1724 418 418 ALA H H 8.121 0.02 1 1725 418 418 ALA C C 177.621 0.2 1 1726 418 418 ALA CA C 52.381 0.2 1 1727 418 418 ALA CB C 19.369 0.2 1 1728 418 418 ALA N N 123.750 0.2 1 1729 419 419 VAL H H 8.190 0.02 1 1730 419 419 VAL C C 176.105 0.2 1 1731 419 419 VAL CA C 62.305 0.2 1 1732 419 419 VAL CB C 32.803 0.2 1 1733 419 419 VAL N N 119.739 0.2 1 1734 420 420 MET H H 8.528 0.02 1 1735 420 420 MET C C 175.816 0.2 1 1736 420 420 MET CA C 55.211 0.2 1 1737 420 420 MET CB C 32.964 0.2 1 1738 420 420 MET N N 125.293 0.2 1 1739 421 421 VAL H H 8.348 0.02 1 1740 421 421 VAL C C 175.954 0.2 1 1741 421 421 VAL CA C 62.315 0.2 1 1742 421 421 VAL CB C 32.801 0.2 1 1743 421 421 VAL N N 123.018 0.2 1 1744 422 422 MET H H 8.554 0.02 1 1745 422 422 MET CA C 54.990 0.2 1 1746 422 422 MET CB C 32.739 0.2 1 1747 422 422 MET N N 124.986 0.2 1 1748 423 423 SER CA C 57.820 0.2 1 1749 423 423 SER CB C 63.984 0.2 1 1750 424 424 TYR H H 8.402 0.02 1 1751 424 424 TYR C C 176.269 0.2 1 1752 424 424 TYR CA C 57.946 0.2 1 1753 424 424 TYR CB C 38.890 0.2 1 1754 424 424 TYR N N 122.310 0.2 1 1755 425 425 GLY H H 8.442 0.02 1 1756 425 425 GLY C C 173.709 0.2 1 1757 425 425 GLY CA C 45.247 0.2 1 1758 425 425 GLY N N 110.417 0.2 1 1759 426 426 ASN H H 8.465 0.02 1 1760 426 426 ASN C C 175.419 0.2 1 1761 426 426 ASN CA C 53.342 0.2 1 1762 426 426 ASN CB C 39.327 0.2 1 1763 426 426 ASN N N 118.911 0.2 1 1764 427 427 SER H H 8.548 0.02 1 1765 427 427 SER C C 174.831 0.2 1 1766 427 427 SER CA C 58.991 0.2 1 1767 427 427 SER CB C 64.043 0.2 1 1768 427 427 SER N N 116.826 0.2 1 1769 428 428 GLU H H 8.605 0.02 1 1770 428 428 GLU C C 176.910 0.2 1 1771 428 428 GLU CA C 57.284 0.2 1 1772 428 428 GLU CB C 30.149 0.2 1 1773 428 428 GLU N N 122.603 0.2 1 1774 429 429 GLU H H 8.395 0.02 1 1775 429 429 GLU C C 176.527 0.2 1 1776 429 429 GLU CA C 57.237 0.2 1 1777 429 429 GLU CB C 30.408 0.2 1 1778 429 429 GLU N N 120.989 0.2 1 1779 430 430 ASP H H 8.378 0.02 1 1780 430 430 ASP C C 176.472 0.2 1 1781 430 430 ASP CA C 54.767 0.2 1 1782 430 430 ASP CB C 41.353 0.2 1 1783 430 430 ASP N N 121.292 0.2 1 1784 431 431 SER H H 8.297 0.02 1 1785 431 431 SER C C 175.051 0.2 1 1786 431 431 SER CA C 58.854 0.2 1 1787 431 431 SER CB C 63.987 0.2 1 1788 431 431 SER N N 116.424 0.2 1 1789 432 432 GLN H H 8.479 0.02 1 1790 432 432 GLN CA C 56.235 0.2 1 1791 432 432 GLN CB C 29.402 0.2 1 1792 432 432 GLN N N 121.987 0.2 1 1793 433 433 GLU H H 8.384 0.02 1 1794 433 433 GLU CA C 57.157 0.2 1 1795 433 433 GLU CB C 30.340 0.2 1 1796 433 433 GLU N N 121.242 0.2 1 1797 434 434 HIS H H 8.439 0.02 1 1798 434 434 HIS C C 176.062 0.2 1 1799 434 434 HIS CA C 56.240 0.2 1 1800 434 434 HIS CB C 30.421 0.2 1 1801 434 434 HIS N N 120.220 0.2 1 1802 435 435 THR H H 8.250 0.02 1 1803 435 435 THR C C 175.405 0.2 1 1804 435 435 THR CA C 62.716 0.2 1 1805 435 435 THR CB C 69.976 0.2 1 1806 435 435 THR N N 115.213 0.2 1 1807 436 436 GLY H H 8.565 0.02 1 1808 436 436 GLY CA C 45.742 0.2 1 1809 436 436 GLY N N 111.299 0.2 1 1810 437 437 SER H H 8.323 0.02 1 1811 437 437 SER CA C 59.149 0.2 1 1812 437 437 SER CB C 63.936 0.2 1 1813 437 437 SER N N 116.008 0.2 1 1814 438 438 GLN H H 8.523 0.02 1 1815 438 438 GLN CA C 56.431 0.2 1 1816 438 438 GLN CB C 29.220 0.2 1 1817 438 438 GLN N N 122.217 0.2 1 1818 439 439 LEU H H 8.200 0.02 1 1819 439 439 LEU CA C 55.824 0.2 1 1820 439 439 LEU CB C 42.390 0.2 1 1821 439 439 LEU N N 122.740 0.2 1 1822 440 440 ARG H H 8.313 0.02 1 1823 440 440 ARG C C 176.199 0.2 1 1824 440 440 ARG CA C 56.406 0.2 1 1825 440 440 ARG CB C 30.831 0.2 1 1826 440 440 ARG N N 122.420 0.2 1 1827 441 441 ILE H H 8.181 0.02 1 1828 441 441 ILE C C 176.201 0.2 1 1829 441 441 ILE CA C 61.480 0.2 1 1830 441 441 ILE CB C 38.950 0.2 1 1831 441 441 ILE N N 122.373 0.2 1 1832 442 442 ALA H H 8.364 0.02 1 1833 442 442 ALA CA C 52.796 0.2 1 1834 442 442 ALA CB C 19.400 0.2 1 1835 442 442 ALA N N 127.980 0.2 1 1836 443 443 ALA H H 8.340 0.02 1 1837 443 443 ALA C C 177.181 0.2 1 1838 443 443 ALA CA C 52.684 0.2 1 1839 443 443 ALA CB C 19.429 0.2 1 1840 443 443 ALA N N 122.848 0.2 1 1841 444 444 TYR H H 8.082 0.02 1 1842 444 444 TYR C C 175.911 0.2 1 1843 444 444 TYR CA C 57.770 0.2 1 1844 444 444 TYR CB C 39.373 0.2 1 1845 444 444 TYR N N 118.610 0.2 1 1846 445 445 GLY H H 8.181 0.02 1 1847 445 445 GLY CA C 44.931 0.2 1 1848 445 445 GLY N N 110.569 0.2 1 1849 446 446 PRO CA C 63.677 0.2 1 1850 446 446 PRO CB C 32.115 0.2 1 1851 447 447 HIS H H 8.405 0.02 1 1852 447 447 HIS C C 175.460 0.2 1 1853 447 447 HIS CA C 56.160 0.2 1 1854 447 447 HIS CB C 30.497 0.2 1 1855 447 447 HIS N N 119.009 0.2 1 1856 448 448 ALA H H 8.098 0.02 1 1857 448 448 ALA CA C 52.733 0.2 1 1858 448 448 ALA CB C 19.258 0.2 1 1859 448 448 ALA N N 125.075 0.2 1 1860 449 449 ALA H H 8.168 0.02 1 1861 449 449 ALA CA C 52.734 0.2 1 1862 449 449 ALA CB C 19.315 0.2 1 1863 449 449 ALA N N 122.911 0.2 1 1864 450 450 ASN H H 8.378 0.02 1 1865 450 450 ASN HA H 4.631 0.02 1 1866 450 450 ASN HB3 H 2.767 0.02 2 1867 450 450 ASN C C 175.063 0.2 1 1868 450 450 ASN CA C 53.529 0.2 1 1869 450 450 ASN CB C 38.933 0.2 1 1870 450 450 ASN N N 117.527 0.2 1 1871 451 451 VAL H H 8.095 0.02 1 1872 451 451 VAL HA H 4.106 0.02 1 1873 451 451 VAL HB H 2.058 0.02 1 1874 451 451 VAL HG1 H 0.885 0.02 2 1875 451 451 VAL HG2 H 0.868 0.02 2 1876 451 451 VAL C C 176.171 0.2 1 1877 451 451 VAL CA C 62.630 0.2 1 1878 451 451 VAL CB C 32.962 0.2 1 1879 451 451 VAL CG1 C 21.210 0.2 2 1880 451 451 VAL CG2 C 20.727 0.2 2 1881 451 451 VAL N N 120.715 0.2 1 1882 452 452 VAL H H 8.284 0.02 1 1883 452 452 VAL HA H 4.036 0.02 1 1884 452 452 VAL HB H 2.029 0.02 1 1885 452 452 VAL HG1 H 0.923 0.02 2 1886 452 452 VAL HG2 H 0.910 0.02 2 1887 452 452 VAL C C 176.598 0.2 1 1888 452 452 VAL CA C 62.954 0.2 1 1889 452 452 VAL CB C 32.806 0.2 1 1890 452 452 VAL CG1 C 21.255 0.2 2 1891 452 452 VAL CG2 C 20.993 0.2 2 1892 452 452 VAL N N 124.607 0.2 1 1893 453 453 GLY H H 8.554 0.02 1 1894 453 453 GLY CA C 45.387 0.2 1 1895 453 453 GLY N N 112.913 0.2 1 1896 454 454 LEU H H 8.205 0.02 1 1897 454 454 LEU HA H 4.386 0.02 1 1898 454 454 LEU HG H 1.593 0.02 1 1899 454 454 LEU HD1 H 0.881 0.02 2 1900 454 454 LEU HD2 H 0.866 0.02 2 1901 454 454 LEU C C 177.854 0.2 1 1902 454 454 LEU CA C 55.574 0.2 1 1903 454 454 LEU CB C 42.666 0.2 1 1904 454 454 LEU CG C 27.206 0.2 1 1905 454 454 LEU CD1 C 25.077 0.2 2 1906 454 454 LEU CD2 C 23.661 0.2 2 1907 454 454 LEU N N 121.845 0.2 1 1908 455 455 THR H H 8.241 0.02 1 1909 455 455 THR HA H 4.350 0.02 1 1910 455 455 THR HB H 4.219 0.02 1 1911 455 455 THR HG2 H 1.159 0.02 1 1912 455 455 THR CA C 62.042 0.2 1 1913 455 455 THR CB C 70.145 0.2 1 1914 455 455 THR CG2 C 21.555 0.2 1 1915 455 455 THR N N 114.239 0.2 1 1916 456 456 ASP H H 8.386 0.02 1 1917 456 456 ASP HA H 4.548 0.02 1 1918 456 456 ASP C C 176.363 0.2 1 1919 456 456 ASP CA C 54.793 0.2 1 1920 456 456 ASP CB C 41.284 0.2 1 1921 456 456 ASP N N 122.416 0.2 1 1922 457 457 GLN H H 8.429 0.02 1 1923 457 457 GLN HA H 4.281 0.02 1 1924 457 457 GLN C C 176.390 0.2 1 1925 457 457 GLN CA C 56.327 0.2 1 1926 457 457 GLN CB C 29.325 0.2 1 1927 457 457 GLN CG C 34.015 0.2 1 1928 457 457 GLN N N 120.893 0.2 1 1929 458 458 THR H H 8.263 0.02 1 1930 458 458 THR HA H 4.227 0.02 1 1931 458 458 THR HB H 4.184 0.02 1 1932 458 458 THR HG2 H 1.197 0.02 1 1933 458 458 THR CA C 63.108 0.2 1 1934 458 458 THR CB C 69.927 0.2 1 1935 458 458 THR CG2 C 21.742 0.2 1 1936 458 458 THR N N 114.782 0.2 1 1937 459 459 ASP H H 8.401 0.02 1 1938 459 459 ASP HA H 4.570 0.02 1 1939 459 459 ASP HB3 H 2.712 0.02 2 1940 459 459 ASP CA C 55.191 0.2 1 1941 459 459 ASP CB C 41.289 0.2 1 1942 459 459 ASP N N 122.366 0.2 1 1943 460 460 LEU H H 8.179 0.02 1 1944 460 460 LEU HA H 4.166 0.02 1 1945 460 460 LEU HB3 H 1.506 0.02 2 1946 460 460 LEU HG H 1.526 0.02 1 1947 460 460 LEU HD1 H 0.879 0.02 2 1948 460 460 LEU HD2 H 0.827 0.02 2 1949 460 460 LEU C C 177.772 0.2 1 1950 460 460 LEU CA C 56.468 0.2 1 1951 460 460 LEU CB C 42.179 0.2 1 1952 460 460 LEU CG C 27.012 0.2 1 1953 460 460 LEU CD1 C 24.918 0.2 2 1954 460 460 LEU CD2 C 23.724 0.2 2 1955 460 460 LEU N N 122.706 0.2 1 1956 461 461 PHE H H 8.205 0.02 1 1957 461 461 PHE HA H 4.413 0.02 1 1958 461 461 PHE HD1 H 6.954 0.02 3 1959 461 461 PHE HE1 H 7.124 0.02 3 1960 461 461 PHE HZ H 7.087 0.02 1 1961 461 461 PHE C C 176.459 0.2 1 1962 461 461 PHE CA C 59.255 0.2 1 1963 461 461 PHE CB C 39.362 0.2 1 1964 461 461 PHE N N 119.490 0.2 1 1965 462 462 TYR H H 7.972 0.02 1 1966 462 462 TYR HA H 4.348 0.02 1 1967 462 462 TYR HB3 H 3.069 0.02 2 1968 462 462 TYR HD1 H 7.082 0.02 3 1969 462 462 TYR HE1 H 6.791 0.02 3 1970 462 462 TYR C C 176.912 0.2 1 1971 462 462 TYR CA C 59.819 0.2 1 1972 462 462 TYR CB C 38.606 0.2 1 1973 462 462 TYR N N 119.826 0.2 1 1974 463 463 THR H H 8.075 0.02 1 1975 463 463 THR HA H 4.113 0.02 1 1976 463 463 THR HB H 4.246 0.02 1 1977 463 463 THR C C 175.227 0.2 1 1978 463 463 THR CA C 63.499 0.2 1 1979 463 463 THR CB C 69.802 0.2 1 1980 463 463 THR N N 115.576 0.2 1 1981 464 464 MET H H 8.219 0.02 1 1982 464 464 MET HA H 4.315 0.02 1 1983 464 464 MET HB3 H 2.078 0.02 2 1984 464 464 MET HG3 H 2.582 0.02 2 1985 464 464 MET HE H 2.060 0.02 1 1986 464 464 MET C C 176.842 0.2 1 1987 464 464 MET CA C 56.819 0.2 1 1988 464 464 MET CB C 32.804 0.2 1 1989 464 464 MET CG C 32.139 0.2 1 1990 464 464 MET CE C 16.988 0.2 1 1991 464 464 MET N N 122.358 0.2 1 1992 465 465 LYS H H 8.112 0.02 1 1993 465 465 LYS HA H 4.093 0.02 1 1994 465 465 LYS HB3 H 1.724 0.02 2 1995 465 465 LYS C C 177.184 0.2 1 1996 465 465 LYS CA C 57.736 0.2 1 1997 465 465 LYS CB C 32.916 0.2 1 1998 465 465 LYS CG C 25.093 0.2 1 1999 465 465 LYS CD C 29.358 0.2 1 2000 465 465 LYS CE C 42.117 0.2 1 2001 465 465 LYS N N 121.704 0.2 1 2002 466 466 ALA H H 8.188 0.02 1 2003 466 466 ALA HA H 4.163 0.02 1 2004 466 466 ALA HB H 1.353 0.02 1 2005 466 466 ALA C C 178.426 0.2 1 2006 466 466 ALA CA C 53.347 0.2 1 2007 466 466 ALA CB C 18.913 0.2 1 2008 466 466 ALA N N 123.909 0.2 1 2009 467 467 ALA H H 8.109 0.02 1 2010 467 467 ALA HA H 4.214 0.02 1 2011 467 467 ALA HB H 1.394 0.02 1 2012 467 467 ALA C C 178.231 0.2 1 2013 467 467 ALA CA C 53.184 0.2 1 2014 467 467 ALA CB C 19.030 0.2 1 2015 467 467 ALA N N 122.497 0.2 1 2016 468 468 LEU H H 8.044 0.02 1 2017 468 468 LEU HA H 4.282 0.02 1 2018 468 468 LEU HG H 1.568 0.02 1 2019 468 468 LEU HD1 H 0.915 0.02 2 2020 468 468 LEU HD2 H 0.869 0.02 2 2021 468 468 LEU C C 177.963 0.2 1 2022 468 468 LEU CA C 55.660 0.2 1 2023 468 468 LEU CB C 42.627 0.2 1 2024 468 468 LEU CG C 26.958 0.2 1 2025 468 468 LEU CD1 C 25.220 0.2 2 2026 468 468 LEU CD2 C 23.339 0.2 2 2027 468 468 LEU N N 120.037 0.2 1 2028 469 469 GLY H H 8.243 0.02 1 2029 469 469 GLY C C 174.065 0.2 1 2030 469 469 GLY CA C 45.708 0.2 1 2031 469 469 GLY N N 108.846 0.2 1 2032 470 470 LEU H H 8.010 0.02 1 2033 470 470 LEU HA H 4.347 0.02 1 2034 470 470 LEU HD1 H 0.887 0.02 2 2035 470 470 LEU HD2 H 0.868 0.02 2 2036 470 470 LEU C C 176.488 0.2 1 2037 470 470 LEU CA C 55.307 0.2 1 2038 470 470 LEU CB C 42.564 0.2 1 2039 470 470 LEU CG C 26.950 0.2 1 2040 470 470 LEU CD1 C 25.226 0.2 2 2041 470 470 LEU CD2 C 23.299 0.2 2 2042 470 470 LEU N N 121.580 0.2 1 2043 471 471 LYS H H 7.954 0.02 1 2044 471 471 LYS CA C 57.878 0.2 1 2045 471 471 LYS CB C 33.966 0.2 1 2046 471 471 LYS N N 126.921 0.2 1 stop_ save_