data_27762 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignment of the 128 kDa Enzyme I dimer from Thermoanaerobacter tengcongenesis ; _BMRB_accession_number 27762 _BMRB_flat_file_name bmr27762.str _Entry_type original _Submission_date 2019-01-22 _Accession_date 2019-01-22 _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 Dotas Rochelle . . 2 Venditti Vincenzo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 439 "13C chemical shifts" 424 "15N chemical shifts" 439 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-23 update BMRB 'update entry citation' 2019-05-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27183 '1H, 15N, 13C backbone resonance assignment of the C-terminal domain of Enzyme I from Thermoanaerobacter tengcongensis' stop_ _Original_release_date 2019-01-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment of the 128 kDa enzyme I dimer from Thermoanaerobacter tengcongensis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31025174 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dotas Rochelle . . 2 Venditti Vincenzo . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 293 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tEI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'thermophilic Enzyme I (tEI)' $thermophilic_Enzyme_I_(tEI) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_thermophilic_Enzyme_I_(tEI) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common thermophilic_Enzyme_I_(tEI) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 573 _Mol_residue_sequence ; MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGRTSHTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEKKVEGLKQLKDLP AETPDGKKVMLAANIGTPKD VASALANGAEGVGLFRTEFL YMDRNSLPSEEEQFEAYKEV VEKMGGRPVTIRTLDIGGDK ELPYLDMPKEMNPFLGYRAI RLCLDRPDIFKTQLRAILRA SAYGNVQIMYPMISSVEEVR KANSILEEVKAELDREGVKY DKEIKVGIMVEIPSAAVTAD ILAKEVDFFSIGTNDLTQYT LAVDRMNEHVKEYYQPFHPA ILRLVKMVIDAAHKEGKFAA MCGEMAGDPLAAVILLGLGL DEFSMSATSIPEIKNIIRNV EYEKAKEIAEKALNMSEARE IEKMMKDVIKDIG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 LYS 4 4 GLY 5 5 VAL 6 6 ALA 7 7 ALA 8 8 SER 9 9 PRO 10 10 GLY 11 11 ILE 12 12 ALA 13 13 ILE 14 14 GLY 15 15 LYS 16 16 ALA 17 17 PHE 18 18 LEU 19 19 TYR 20 20 THR 21 21 LYS 22 22 GLU 23 23 LYS 24 24 VAL 25 25 THR 26 26 ILE 27 27 ASN 28 28 VAL 29 29 GLU 30 30 LYS 31 31 ILE 32 32 GLU 33 33 GLU 34 34 SER 35 35 LYS 36 36 VAL 37 37 GLU 38 38 GLU 39 39 GLU 40 40 ILE 41 41 ALA 42 42 LYS 43 43 PHE 44 44 ARG 45 45 LYS 46 46 ALA 47 47 LEU 48 48 GLU 49 49 VAL 50 50 THR 51 51 GLN 52 52 GLU 53 53 GLU 54 54 ILE 55 55 GLU 56 56 LYS 57 57 ILE 58 58 LYS 59 59 GLU 60 60 LYS 61 61 ALA 62 62 LEU 63 63 LYS 64 64 GLU 65 65 PHE 66 66 GLY 67 67 LYS 68 68 GLU 69 69 LYS 70 70 ALA 71 71 GLU 72 72 ILE 73 73 PHE 74 74 GLU 75 75 ALA 76 76 HIS 77 77 LEU 78 78 MET 79 79 LEU 80 80 ALA 81 81 SER 82 82 ASP 83 83 PRO 84 84 GLU 85 85 LEU 86 86 ILE 87 87 GLU 88 88 GLY 89 89 VAL 90 90 GLU 91 91 ASN 92 92 MET 93 93 ILE 94 94 LYS 95 95 THR 96 96 GLU 97 97 LEU 98 98 VAL 99 99 THR 100 100 ALA 101 101 ASP 102 102 ASN 103 103 ALA 104 104 VAL 105 105 ASN 106 106 LYS 107 107 VAL 108 108 ILE 109 109 GLU 110 110 GLN 111 111 ASN 112 112 ALA 113 113 SER 114 114 VAL 115 115 MET 116 116 GLU 117 117 SER 118 118 LEU 119 119 ASN 120 120 ASP 121 121 GLU 122 122 TYR 123 123 LEU 124 124 LYS 125 125 GLU 126 126 ARG 127 127 ALA 128 128 VAL 129 129 ASP 130 130 LEU 131 131 ARG 132 132 ASP 133 133 VAL 134 134 GLY 135 135 ASN 136 136 ARG 137 137 ILE 138 138 ILE 139 139 GLU 140 140 ASN 141 141 LEU 142 142 LEU 143 143 GLY 144 144 VAL 145 145 LYS 146 146 SER 147 147 VAL 148 148 ASN 149 149 LEU 150 150 SER 151 151 ASP 152 152 LEU 153 153 GLU 154 154 GLU 155 155 GLU 156 156 VAL 157 157 VAL 158 158 VAL 159 159 ILE 160 160 ALA 161 161 ARG 162 162 ASP 163 163 LEU 164 164 THR 165 165 PRO 166 166 SER 167 167 ASP 168 168 THR 169 169 ALA 170 170 THR 171 171 MET 172 172 LYS 173 173 LYS 174 174 GLU 175 175 MET 176 176 VAL 177 177 LEU 178 178 GLY 179 179 PHE 180 180 ALA 181 181 THR 182 182 ASP 183 183 VAL 184 184 GLY 185 185 GLY 186 186 ARG 187 187 THR 188 188 SER 189 189 HIS 190 190 THR 191 191 ALA 192 192 ILE 193 193 MET 194 194 ALA 195 195 ARG 196 196 SER 197 197 LEU 198 198 GLU 199 199 ILE 200 200 PRO 201 201 ALA 202 202 VAL 203 203 VAL 204 204 GLY 205 205 LEU 206 206 GLY 207 207 ASN 208 208 VAL 209 209 THR 210 210 SER 211 211 GLN 212 212 VAL 213 213 LYS 214 214 ALA 215 215 GLY 216 216 ASP 217 217 LEU 218 218 VAL 219 219 ILE 220 220 VAL 221 221 ASP 222 222 GLY 223 223 LEU 224 224 GLU 225 225 GLY 226 226 ILE 227 227 VAL 228 228 ILE 229 229 VAL 230 230 ASN 231 231 PRO 232 232 ASP 233 233 GLU 234 234 LYS 235 235 THR 236 236 VAL 237 237 GLU 238 238 ASP 239 239 TYR 240 240 LYS 241 241 SER 242 242 LYS 243 243 LYS 244 244 GLU 245 245 SER 246 246 TYR 247 247 GLU 248 248 LYS 249 249 LYS 250 250 VAL 251 251 GLU 252 252 GLY 253 253 LEU 254 254 LYS 255 255 GLN 256 256 LEU 257 257 LYS 258 258 ASP 259 259 LEU 260 260 PRO 261 261 ALA 262 262 GLU 263 263 THR 264 264 PRO 265 265 ASP 266 266 GLY 267 267 LYS 268 268 LYS 269 269 VAL 270 270 MET 271 271 LEU 272 272 ALA 273 273 ALA 274 274 ASN 275 275 ILE 276 276 GLY 277 277 THR 278 278 PRO 279 279 LYS 280 280 ASP 281 281 VAL 282 282 ALA 283 283 SER 284 284 ALA 285 285 LEU 286 286 ALA 287 287 ASN 288 288 GLY 289 289 ALA 290 290 GLU 291 291 GLY 292 292 VAL 293 293 GLY 294 294 LEU 295 295 PHE 296 296 ARG 297 297 THR 298 298 GLU 299 299 PHE 300 300 LEU 301 301 TYR 302 302 MET 303 303 ASP 304 304 ARG 305 305 ASN 306 306 SER 307 307 LEU 308 308 PRO 309 309 SER 310 310 GLU 311 311 GLU 312 312 GLU 313 313 GLN 314 314 PHE 315 315 GLU 316 316 ALA 317 317 TYR 318 318 LYS 319 319 GLU 320 320 VAL 321 321 VAL 322 322 GLU 323 323 LYS 324 324 MET 325 325 GLY 326 326 GLY 327 327 ARG 328 328 PRO 329 329 VAL 330 330 THR 331 331 ILE 332 332 ARG 333 333 THR 334 334 LEU 335 335 ASP 336 336 ILE 337 337 GLY 338 338 GLY 339 339 ASP 340 340 LYS 341 341 GLU 342 342 LEU 343 343 PRO 344 344 TYR 345 345 LEU 346 346 ASP 347 347 MET 348 348 PRO 349 349 LYS 350 350 GLU 351 351 MET 352 352 ASN 353 353 PRO 354 354 PHE 355 355 LEU 356 356 GLY 357 357 TYR 358 358 ARG 359 359 ALA 360 360 ILE 361 361 ARG 362 362 LEU 363 363 CYS 364 364 LEU 365 365 ASP 366 366 ARG 367 367 PRO 368 368 ASP 369 369 ILE 370 370 PHE 371 371 LYS 372 372 THR 373 373 GLN 374 374 LEU 375 375 ARG 376 376 ALA 377 377 ILE 378 378 LEU 379 379 ARG 380 380 ALA 381 381 SER 382 382 ALA 383 383 TYR 384 384 GLY 385 385 ASN 386 386 VAL 387 387 GLN 388 388 ILE 389 389 MET 390 390 TYR 391 391 PRO 392 392 MET 393 393 ILE 394 394 SER 395 395 SER 396 396 VAL 397 397 GLU 398 398 GLU 399 399 VAL 400 400 ARG 401 401 LYS 402 402 ALA 403 403 ASN 404 404 SER 405 405 ILE 406 406 LEU 407 407 GLU 408 408 GLU 409 409 VAL 410 410 LYS 411 411 ALA 412 412 GLU 413 413 LEU 414 414 ASP 415 415 ARG 416 416 GLU 417 417 GLY 418 418 VAL 419 419 LYS 420 420 TYR 421 421 ASP 422 422 LYS 423 423 GLU 424 424 ILE 425 425 LYS 426 426 VAL 427 427 GLY 428 428 ILE 429 429 MET 430 430 VAL 431 431 GLU 432 432 ILE 433 433 PRO 434 434 SER 435 435 ALA 436 436 ALA 437 437 VAL 438 438 THR 439 439 ALA 440 440 ASP 441 441 ILE 442 442 LEU 443 443 ALA 444 444 LYS 445 445 GLU 446 446 VAL 447 447 ASP 448 448 PHE 449 449 PHE 450 450 SER 451 451 ILE 452 452 GLY 453 453 THR 454 454 ASN 455 455 ASP 456 456 LEU 457 457 THR 458 458 GLN 459 459 TYR 460 460 THR 461 461 LEU 462 462 ALA 463 463 VAL 464 464 ASP 465 465 ARG 466 466 MET 467 467 ASN 468 468 GLU 469 469 HIS 470 470 VAL 471 471 LYS 472 472 GLU 473 473 TYR 474 474 TYR 475 475 GLN 476 476 PRO 477 477 PHE 478 478 HIS 479 479 PRO 480 480 ALA 481 481 ILE 482 482 LEU 483 483 ARG 484 484 LEU 485 485 VAL 486 486 LYS 487 487 MET 488 488 VAL 489 489 ILE 490 490 ASP 491 491 ALA 492 492 ALA 493 493 HIS 494 494 LYS 495 495 GLU 496 496 GLY 497 497 LYS 498 498 PHE 499 499 ALA 500 500 ALA 501 501 MET 502 502 CYS 503 503 GLY 504 504 GLU 505 505 MET 506 506 ALA 507 507 GLY 508 508 ASP 509 509 PRO 510 510 LEU 511 511 ALA 512 512 ALA 513 513 VAL 514 514 ILE 515 515 LEU 516 516 LEU 517 517 GLY 518 518 LEU 519 519 GLY 520 520 LEU 521 521 ASP 522 522 GLU 523 523 PHE 524 524 SER 525 525 MET 526 526 SER 527 527 ALA 528 528 THR 529 529 SER 530 530 ILE 531 531 PRO 532 532 GLU 533 533 ILE 534 534 LYS 535 535 ASN 536 536 ILE 537 537 ILE 538 538 ARG 539 539 ASN 540 540 VAL 541 541 GLU 542 542 TYR 543 543 GLU 544 544 LYS 545 545 ALA 546 546 LYS 547 547 GLU 548 548 ILE 549 549 ALA 550 550 GLU 551 551 LYS 552 552 ALA 553 553 LEU 554 554 ASN 555 555 MET 556 556 SER 557 557 GLU 558 558 ALA 559 559 ARG 560 560 GLU 561 561 ILE 562 562 GLU 563 563 LYS 564 564 MET 565 565 MET 566 566 LYS 567 567 ASP 568 568 VAL 569 569 ILE 570 570 LYS 571 571 ASP 572 572 ILE 573 573 GLY 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 $thermophilic_Enzyme_I_(tEI) 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus 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 $thermophilic_Enzyme_I_(tEI) 'recombinant technology' . Escherichia coli . pet21A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $thermophilic_Enzyme_I_(tEI) 0.75 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' MgCl2 4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRPipe _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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 water C 13 protons ppm 0 internal direct . . . . water H 1 protons ppm 0 internal direct . . . 1.0 water N 15 protons ppm 0 internal direct . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'thermophilic Enzyme I (tEI)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU C C 174.955 0.2 1 2 3 3 LYS H H 8.012 0.02 1 3 3 3 LYS C C 176.127 0.2 1 4 3 3 LYS N N 122.712 0.07 1 5 4 4 GLY H H 8.325 0.02 1 6 4 4 GLY C C 171.766 0.2 1 7 4 4 GLY N N 114.097 0.07 1 8 5 5 VAL H H 8.656 0.02 1 9 5 5 VAL N N 125.011 0.07 1 10 6 6 ALA H H 8.566 0.02 1 11 6 6 ALA C C 175.324 0.2 1 12 6 6 ALA N N 131.805 0.07 1 13 7 7 ALA H H 7.949 0.02 1 14 7 7 ALA C C 176.213 0.2 1 15 7 7 ALA N N 128.821 0.07 1 16 8 8 SER H H 7.481 0.02 1 17 8 8 SER N N 112.507 0.07 1 18 9 9 PRO C C 174.957 0.2 1 19 10 10 GLY H H 5.285 0.02 1 20 10 10 GLY C C 171.436 0.2 1 21 10 10 GLY N N 101.923 0.07 1 22 11 11 ILE H H 8.371 0.02 1 23 11 11 ILE C C 173.817 0.2 1 24 11 11 ILE N N 119.258 0.07 1 25 12 12 ALA H H 8.769 0.02 1 26 12 12 ALA C C 175.252 0.2 1 27 12 12 ALA N N 128.849 0.07 1 28 13 13 ILE H H 8.19 0.02 1 29 13 13 ILE C C 175.393 0.2 1 30 13 13 ILE N N 121.317 0.07 1 31 14 14 GLY H H 8.42 0.02 1 32 14 14 GLY C C 170.541 0.2 1 33 14 14 GLY N N 111.817 0.07 1 34 15 15 LYS H H 8.512 0.02 1 35 15 15 LYS C C 176.62 0.2 1 36 15 15 LYS N N 120.594 0.07 1 37 16 16 ALA H H 8.887 0.02 1 38 16 16 ALA C C 177.763 0.2 1 39 16 16 ALA N N 123.978 0.07 1 40 17 17 PHE H H 9.026 0.02 1 41 17 17 PHE C C 173.235 0.2 1 42 17 17 PHE N N 126.665 0.07 1 43 18 18 LEU H H 7.37 0.02 1 44 18 18 LEU C C 174.457 0.2 1 45 18 18 LEU N N 130.62 0.07 1 46 19 19 TYR H H 8.976 0.02 1 47 19 19 TYR C C 173.786 0.2 1 48 19 19 TYR N N 129.299 0.07 1 49 20 20 THR H H 7.377 0.02 1 50 20 20 THR N N 118.476 0.07 1 51 21 21 LYS C C 176.109 0.2 1 52 22 22 GLU H H 8.09 0.02 1 53 22 22 GLU C C 176.13 0.2 1 54 22 22 GLU N N 123.284 0.07 1 55 23 23 LYS H H 8.043 0.02 1 56 23 23 LYS C C 176.439 0.2 1 57 23 23 LYS N N 123.479 0.07 1 58 24 24 VAL H H 7.776 0.02 1 59 24 24 VAL C C 175.58 0.2 1 60 24 24 VAL N N 122.002 0.07 1 61 25 25 THR H H 7.788 0.02 1 62 25 25 THR C C 173.259 0.2 1 63 25 25 THR N N 120.71 0.07 1 64 26 26 ILE H H 7.599 0.02 1 65 26 26 ILE C C 175.913 0.2 1 66 26 26 ILE N N 125.275 0.07 1 67 27 27 ASN H H 9.021 0.02 1 68 27 27 ASN C C 175.49 0.2 1 69 27 27 ASN N N 126.915 0.07 1 70 28 28 VAL H H 7.709 0.02 1 71 28 28 VAL C C 176.531 0.2 1 72 28 28 VAL N N 117.585 0.07 1 73 29 29 GLU H H 7.676 0.02 1 74 29 29 GLU C C 176.256 0.2 1 75 29 29 GLU N N 123.513 0.07 1 76 30 30 LYS H H 7.929 0.02 1 77 30 30 LYS C C 178.054 0.2 1 78 30 30 LYS N N 121.837 0.07 1 79 31 31 ILE H H 7.893 0.02 1 80 31 31 ILE C C 175.32 0.2 1 81 31 31 ILE N N 116.115 0.07 1 82 32 32 GLU H H 7.549 0.02 1 83 32 32 GLU C C 178.388 0.2 1 84 32 32 GLU N N 118.223 0.07 1 85 33 33 GLU H H 8.809 0.02 1 86 33 33 GLU N N 122.608 0.07 1 87 34 34 SER C C 175.605 0.2 1 88 35 35 LYS H H 7.823 0.02 1 89 35 35 LYS C C 176.832 0.2 1 90 35 35 LYS N N 121.436 0.07 1 91 36 36 VAL H H 7.207 0.02 1 92 36 36 VAL C C 177.419 0.2 1 93 36 36 VAL N N 121.966 0.07 1 94 37 37 GLU H H 8.264 0.02 1 95 37 37 GLU C C 179.565 0.2 1 96 37 37 GLU N N 117.525 0.07 1 97 38 38 GLU H H 7.636 0.02 1 98 38 38 GLU C C 178.849 0.2 1 99 38 38 GLU N N 120.901 0.07 1 100 39 39 GLU H H 7.969 0.02 1 101 39 39 GLU C C 179.273 0.2 1 102 39 39 GLU N N 121.912 0.07 1 103 40 40 ILE H H 8.311 0.02 1 104 40 40 ILE C C 177.986 0.2 1 105 40 40 ILE N N 120.383 0.07 1 106 41 41 ALA H H 7.972 0.02 1 107 41 41 ALA C C 181.03 0.2 1 108 41 41 ALA N N 122.644 0.07 1 109 42 42 LYS H H 8.043 0.02 1 110 42 42 LYS C C 179.711 0.2 1 111 42 42 LYS N N 119.933 0.07 1 112 43 43 PHE H H 8.006 0.02 1 113 43 43 PHE C C 175.655 0.2 1 114 43 43 PHE N N 120.747 0.07 1 115 44 44 ARG H H 8.552 0.02 1 116 44 44 ARG C C 179.434 0.2 1 117 44 44 ARG N N 119.029 0.07 1 118 45 45 LYS H H 7.83 0.02 1 119 45 45 LYS C C 178.067 0.2 1 120 45 45 LYS N N 120.13 0.07 1 121 46 46 ALA H H 7.909 0.02 1 122 46 46 ALA C C 181.592 0.2 1 123 46 46 ALA N N 121.606 0.07 1 124 47 47 LEU H H 8.567 0.02 1 125 47 47 LEU C C 178.189 0.2 1 126 47 47 LEU N N 123.547 0.07 1 127 48 48 GLU H H 7.532 0.02 1 128 48 48 GLU C C 179.659 0.2 1 129 48 48 GLU N N 121.082 0.07 1 130 49 49 VAL H H 7.976 0.02 1 131 49 49 VAL C C 178.527 0.2 1 132 49 49 VAL N N 119.073 0.07 1 133 50 50 THR H H 7.9 0.02 1 134 50 50 THR C C 175.93 0.2 1 135 50 50 THR N N 118.786 0.07 1 136 51 51 GLN H H 8.282 0.02 1 137 51 51 GLN C C 177.771 0.2 1 138 51 51 GLN N N 120.714 0.07 1 139 52 52 GLU H H 7.667 0.02 1 140 52 52 GLU C C 179.03 0.2 1 141 52 52 GLU N N 119.268 0.07 1 142 53 53 GLU H H 8.21 0.02 1 143 53 53 GLU C C 179.512 0.2 1 144 53 53 GLU N N 120.143 0.07 1 145 54 54 ILE H H 8.168 0.02 1 146 54 54 ILE C C 177.697 0.2 1 147 54 54 ILE N N 119.65 0.07 1 148 55 55 GLU H H 8.107 0.02 1 149 55 55 GLU C C 179.032 0.2 1 150 55 55 GLU N N 121.048 0.07 1 151 56 56 LYS H H 7.714 0.02 1 152 56 56 LYS C C 179.978 0.2 1 153 56 56 LYS N N 119.133 0.07 1 154 57 57 ILE H H 7.84 0.02 1 155 57 57 ILE C C 177.497 0.2 1 156 57 57 ILE N N 122.271 0.07 1 157 58 58 LYS H H 8.294 0.02 1 158 58 58 LYS C C 177.788 0.2 1 159 58 58 LYS N N 122.331 0.07 1 160 59 59 GLU H H 7.715 0.02 1 161 59 59 GLU C C 178.924 0.2 1 162 59 59 GLU N N 118.386 0.07 1 163 60 60 LYS H H 7.517 0.02 1 164 60 60 LYS C C 178.455 0.2 1 165 60 60 LYS N N 120.692 0.07 1 166 61 61 ALA H H 8.47 0.02 1 167 61 61 ALA C C 179.848 0.2 1 168 61 61 ALA N N 121.806 0.07 1 169 62 62 LEU H H 8.221 0.02 1 170 62 62 LEU C C 178.749 0.2 1 171 62 62 LEU N N 119.671 0.07 1 172 63 63 LYS H H 7.404 0.02 1 173 63 63 LYS C C 178.133 0.2 1 174 63 63 LYS N N 117.556 0.07 1 175 64 64 GLU H H 7.979 0.02 1 176 64 64 GLU C C 177.306 0.2 1 177 64 64 GLU N N 116.665 0.07 1 178 65 65 PHE H H 8.246 0.02 1 179 65 65 PHE C C 176.472 0.2 1 180 65 65 PHE N N 115.46 0.07 1 181 66 66 GLY H H 7.922 0.02 1 182 66 66 GLY N N 109.457 0.07 1 183 68 68 GLU C C 178.717 0.2 1 184 69 69 LYS H H 7.281 0.02 1 185 69 69 LYS C C 177.469 0.2 1 186 69 69 LYS N N 117.16 0.07 1 187 70 70 ALA H H 7.518 0.02 1 188 70 70 ALA C C 179.103 0.2 1 189 70 70 ALA N N 120.208 0.07 1 190 71 71 GLU H H 7.755 0.02 1 191 71 71 GLU C C 178.968 0.2 1 192 71 71 GLU N N 116.865 0.07 1 193 72 72 ILE H H 7.048 0.02 1 194 72 72 ILE C C 176.73 0.2 1 195 72 72 ILE N N 119.438 0.07 1 196 73 73 PHE H H 6.675 0.02 1 197 73 73 PHE C C 177.733 0.2 1 198 73 73 PHE N N 116.639 0.07 1 199 74 74 GLU H H 7.813 0.02 1 200 74 74 GLU C C 179.224 0.2 1 201 74 74 GLU N N 120.943 0.07 1 202 75 75 ALA H H 7.404 0.02 1 203 75 75 ALA C C 180.367 0.2 1 204 75 75 ALA N N 121.615 0.07 1 205 76 76 HIS H H 7.809 0.02 1 206 76 76 HIS C C 177.506 0.2 1 207 76 76 HIS N N 117.991 0.07 1 208 77 77 LEU H H 7.909 0.02 1 209 77 77 LEU C C 179.475 0.2 1 210 77 77 LEU N N 119.401 0.07 1 211 78 78 MET H H 7.745 0.02 1 212 78 78 MET C C 179.266 0.2 1 213 78 78 MET N N 119.728 0.07 1 214 79 79 LEU H H 7.828 0.02 1 215 79 79 LEU C C 178.174 0.2 1 216 79 79 LEU N N 120.847 0.07 1 217 80 80 ALA H H 7.78 0.02 1 218 80 80 ALA C C 175.411 0.2 1 219 80 80 ALA N N 116.529 0.07 1 220 81 81 SER H H 7.054 0.02 1 221 81 81 SER C C 173.879 0.2 1 222 81 81 SER N N 107.82 0.07 1 223 82 82 ASP H H 6.956 0.02 1 224 82 82 ASP N N 125.355 0.07 1 225 83 83 PRO C C 178.892 0.2 1 226 84 84 GLU H H 8.24 0.02 1 227 84 84 GLU C C 180.293 0.2 1 228 84 84 GLU N N 117.606 0.07 1 229 85 85 LEU H H 7.438 0.02 1 230 85 85 LEU C C 177.764 0.2 1 231 85 85 LEU N N 123.665 0.07 1 232 86 86 ILE H H 7.4 0.02 1 233 86 86 ILE C C 177.696 0.2 1 234 86 86 ILE N N 118.486 0.07 1 235 87 87 GLU H H 8.165 0.02 1 236 87 87 GLU C C 179.231 0.2 1 237 87 87 GLU N N 117.883 0.07 1 238 88 88 GLY H H 7.636 0.02 1 239 88 88 GLY C C 176.63 0.2 1 240 88 88 GLY N N 106.846 0.07 1 241 89 89 VAL H H 7.941 0.02 1 242 89 89 VAL C C 177.617 0.2 1 243 89 89 VAL N N 123.187 0.07 1 244 90 90 GLU H H 7.977 0.02 1 245 90 90 GLU C C 178.831 0.2 1 246 90 90 GLU N N 118.202 0.07 1 247 91 91 ASN H H 8.475 0.02 1 248 91 91 ASN C C 178.203 0.2 1 249 91 91 ASN N N 115.168 0.07 1 250 92 92 MET H H 7.663 0.02 1 251 92 92 MET C C 178.204 0.2 1 252 92 92 MET N N 122.838 0.07 1 253 93 93 ILE H H 7.8 0.02 1 254 93 93 ILE C C 177.644 0.2 1 255 93 93 ILE N N 120.362 0.07 1 256 94 94 LYS H H 7.394 0.02 1 257 94 94 LYS C C 177.584 0.2 1 258 94 94 LYS N N 113.249 0.07 1 259 95 95 THR H H 8.002 0.02 1 260 95 95 THR C C 176.115 0.2 1 261 95 95 THR N N 109.343 0.07 1 262 96 96 GLU H H 8.102 0.02 1 263 96 96 GLU C C 175.738 0.2 1 264 96 96 GLU N N 120.077 0.07 1 265 97 97 LEU H H 7.445 0.02 1 266 97 97 LEU C C 175.667 0.2 1 267 97 97 LEU N N 117.612 0.07 1 268 98 98 VAL H H 6.264 0.02 1 269 98 98 VAL C C 174.173 0.2 1 270 98 98 VAL N N 107.911 0.07 1 271 99 99 THR H H 8.33 0.02 1 272 99 99 THR C C 176.84 0.2 1 273 99 99 THR N N 106.549 0.07 1 274 100 100 ALA H H 10.385 0.02 1 275 100 100 ALA C C 178.43 0.2 1 276 100 100 ALA N N 122.368 0.07 1 277 101 101 ASP H H 9.102 0.02 1 278 101 101 ASP C C 176.547 0.2 1 279 101 101 ASP N N 112.066 0.07 1 280 102 102 ASN H H 6.912 0.02 1 281 102 102 ASN C C 176.796 0.2 1 282 102 102 ASN N N 119.686 0.07 1 283 103 103 ALA H H 8.337 0.02 1 284 103 103 ALA C C 178.939 0.2 1 285 103 103 ALA N N 120.195 0.07 1 286 104 104 VAL H H 8.332 0.02 1 287 104 104 VAL C C 176.882 0.2 1 288 104 104 VAL N N 115.918 0.07 1 289 105 105 ASN H H 7.411 0.02 1 290 105 105 ASN C C 176.889 0.2 1 291 105 105 ASN N N 116.577 0.07 1 292 106 106 LYS H H 8.34 0.02 1 293 106 106 LYS C C 179.447 0.2 1 294 106 106 LYS N N 117.573 0.07 1 295 107 107 VAL H H 8.259 0.02 1 296 107 107 VAL C C 178.882 0.2 1 297 107 107 VAL N N 120.918 0.07 1 298 108 108 ILE H H 8.357 0.02 1 299 108 108 ILE C C 177.808 0.2 1 300 108 108 ILE N N 120.635 0.07 1 301 109 109 GLU H H 7.979 0.02 1 302 109 109 GLU C C 179.843 0.2 1 303 109 109 GLU N N 119.041 0.07 1 304 110 110 GLN H H 8.046 0.02 1 305 110 110 GLN C C 178.247 0.2 1 306 110 110 GLN N N 119.498 0.07 1 307 111 111 ASN H H 7.965 0.02 1 308 111 111 ASN C C 177.611 0.2 1 309 111 111 ASN N N 118.329 0.07 1 310 112 112 ALA H H 8.984 0.02 1 311 112 112 ALA C C 179.038 0.2 1 312 112 112 ALA N N 123.215 0.07 1 313 113 113 SER H H 7.829 0.02 1 314 113 113 SER C C 177.413 0.2 1 315 113 113 SER N N 112.653 0.07 1 316 114 114 VAL H H 7.261 0.02 1 317 114 114 VAL C C 178.99 0.2 1 318 114 114 VAL N N 122.216 0.07 1 319 115 115 MET H H 7.521 0.02 1 320 115 115 MET C C 177.677 0.2 1 321 115 115 MET N N 119.775 0.07 1 322 116 116 GLU H H 7.916 0.02 1 323 116 116 GLU C C 177.351 0.2 1 324 116 116 GLU N N 115.475 0.07 1 325 117 117 SER H H 7.534 0.02 1 326 117 117 SER C C 174.543 0.2 1 327 117 117 SER N N 114.684 0.07 1 328 118 118 LEU H H 6.953 0.02 1 329 118 118 LEU C C 176.996 0.2 1 330 118 118 LEU N N 122.053 0.07 1 331 119 119 ASN H H 8.378 0.02 1 332 119 119 ASN C C 174.023 0.2 1 333 119 119 ASN N N 120.599 0.07 1 334 120 120 ASP H H 7.482 0.02 1 335 120 120 ASP N N 119.516 0.07 1 336 121 121 GLU C C 177.907 0.2 1 337 122 122 TYR H H 8.017 0.02 1 338 122 122 TYR C C 178.157 0.2 1 339 122 122 TYR N N 119.809 0.07 1 340 123 123 LEU H H 7.801 0.02 1 341 123 123 LEU C C 178.849 0.2 1 342 123 123 LEU N N 120.716 0.07 1 343 124 124 LYS H H 7.76 0.02 1 344 124 124 LYS C C 179.147 0.2 1 345 124 124 LYS N N 119.32 0.07 1 346 125 125 GLU H H 7.387 0.02 1 347 125 125 GLU C C 178.739 0.2 1 348 125 125 GLU N N 118.716 0.07 1 349 126 126 ARG H H 7.622 0.02 1 350 126 126 ARG C C 177.811 0.2 1 351 126 126 ARG N N 119.593 0.07 1 352 127 127 ALA H H 7.748 0.02 1 353 127 127 ALA C C 179.213 0.2 1 354 127 127 ALA N N 122.41 0.07 1 355 128 128 VAL H H 7.12 0.02 1 356 128 128 VAL C C 178.644 0.2 1 357 128 128 VAL N N 117.947 0.07 1 358 129 129 ASP H H 7.304 0.02 1 359 129 129 ASP C C 177.564 0.2 1 360 129 129 ASP N N 121.252 0.07 1 361 130 130 LEU H H 8.253 0.02 1 362 130 130 LEU C C 178.684 0.2 1 363 130 130 LEU N N 120.543 0.07 1 364 131 131 ARG H H 7.701 0.02 1 365 131 131 ARG C C 178.817 0.2 1 366 131 131 ARG N N 117.87 0.07 1 367 132 132 ASP H H 7.796 0.02 1 368 132 132 ASP C C 179.195 0.2 1 369 132 132 ASP N N 121.76 0.07 1 370 133 133 VAL H H 8.168 0.02 1 371 133 133 VAL C C 178.238 0.2 1 372 133 133 VAL N N 121.245 0.07 1 373 134 134 GLY H H 8.728 0.02 1 374 134 134 GLY C C 174.892 0.2 1 375 134 134 GLY N N 107.258 0.07 1 376 135 135 ASN H H 8.055 0.02 1 377 135 135 ASN C C 177.136 0.2 1 378 135 135 ASN N N 119.31 0.07 1 379 136 136 ARG H H 7.662 0.02 1 380 136 136 ARG C C 178.72 0.2 1 381 136 136 ARG N N 120.889 0.07 1 382 137 137 ILE H H 8.133 0.02 1 383 137 137 ILE C C 178.613 0.2 1 384 137 137 ILE N N 119.482 0.07 1 385 138 138 ILE H H 8.069 0.02 1 386 138 138 ILE C C 178.04 0.2 1 387 138 138 ILE N N 119.772 0.07 1 388 139 139 GLU H H 8.465 0.02 1 389 139 139 GLU C C 179.428 0.2 1 390 139 139 GLU N N 120.149 0.07 1 391 140 140 ASN H H 7.741 0.02 1 392 140 140 ASN C C 178.108 0.2 1 393 140 140 ASN N N 116.538 0.07 1 394 141 141 LEU H H 8.479 0.02 1 395 141 141 LEU C C 178.572 0.2 1 396 141 141 LEU N N 124.305 0.07 1 397 142 142 LEU H H 7.985 0.02 1 398 142 142 LEU C C 178.052 0.2 1 399 142 142 LEU N N 117.32 0.07 1 400 143 143 GLY H H 7.772 0.02 1 401 143 143 GLY C C 174.696 0.2 1 402 143 143 GLY N N 109.159 0.07 1 403 144 144 VAL H H 7.539 0.02 1 404 144 144 VAL C C 174.761 0.2 1 405 144 144 VAL N N 118.509 0.07 1 406 145 145 LYS H H 7.885 0.02 1 407 145 145 LYS N N 124.474 0.07 1 408 146 146 SER C C 174.544 0.2 1 409 147 147 VAL H H 7.983 0.02 1 410 147 147 VAL C C 174.891 0.2 1 411 147 147 VAL N N 121.755 0.07 1 412 148 148 ASN H H 8.366 0.02 1 413 148 148 ASN C C 175.496 0.2 1 414 148 148 ASN N N 122.016 0.07 1 415 149 149 LEU H H 8.433 0.02 1 416 149 149 LEU C C 177.451 0.2 1 417 149 149 LEU N N 119.455 0.07 1 418 150 150 SER H H 8.198 0.02 1 419 150 150 SER C C 175.163 0.2 1 420 150 150 SER N N 115.49 0.07 1 421 151 151 ASP H H 7.572 0.02 1 422 151 151 ASP C C 175.534 0.2 1 423 151 151 ASP N N 121.148 0.07 1 424 152 152 LEU H H 6.185 0.02 1 425 152 152 LEU N N 118.201 0.07 1 426 153 153 GLU C C 175.094 0.2 1 427 154 154 GLU H H 7.439 0.02 1 428 154 154 GLU C C 173.383 0.2 1 429 154 154 GLU N N 118.196 0.07 1 430 155 155 GLU H H 8.105 0.02 1 431 155 155 GLU C C 177.956 0.2 1 432 155 155 GLU N N 119.375 0.07 1 433 156 156 VAL H H 8.457 0.02 1 434 156 156 VAL C C 175.591 0.2 1 435 156 156 VAL N N 115.453 0.07 1 436 157 157 VAL H H 8.518 0.02 1 437 157 157 VAL C C 175.171 0.2 1 438 157 157 VAL N N 121.421 0.07 1 439 158 158 VAL H H 7.961 0.02 1 440 158 158 VAL C C 173.368 0.2 1 441 158 158 VAL N N 128.384 0.07 1 442 159 159 ILE H H 8.81 0.02 1 443 159 159 ILE C C 174.65 0.2 1 444 159 159 ILE N N 129.992 0.07 1 445 160 160 ALA H H 8.155 0.02 1 446 160 160 ALA C C 175.815 0.2 1 447 160 160 ALA N N 126.545 0.07 1 448 161 161 ARG H H 8.968 0.02 1 449 161 161 ARG C C 175.284 0.2 1 450 161 161 ARG N N 122.814 0.07 1 451 162 162 ASP H H 7.207 0.02 1 452 162 162 ASP C C 174.241 0.2 1 453 162 162 ASP N N 110.704 0.07 1 454 163 163 LEU H H 7.602 0.02 1 455 163 163 LEU C C 175.636 0.2 1 456 163 163 LEU N N 119.691 0.07 1 457 164 164 THR H H 9.271 0.02 1 458 164 164 THR N N 115.3 0.07 1 459 166 166 SER C C 176.1 0.2 1 460 167 167 ASP H H 7.658 0.02 1 461 167 167 ASP C C 178.266 0.2 1 462 167 167 ASP N N 120.442 0.07 1 463 168 168 THR H H 7.636 0.02 1 464 168 168 THR C C 176.691 0.2 1 465 168 168 THR N N 106.553 0.07 1 466 169 169 ALA H H 7.541 0.02 1 467 169 169 ALA N N 124.324 0.07 1 468 170 170 THR H H 7.075 0.02 1 469 170 170 THR C C 174.351 0.2 1 470 170 170 THR N N 102.244 0.07 1 471 171 171 MET H H 6.856 0.02 1 472 171 171 MET C C 174.64 0.2 1 473 171 171 MET N N 120.252 0.07 1 474 172 172 LYS H H 7.407 0.02 1 475 172 172 LYS C C 175.986 0.2 1 476 172 172 LYS N N 125.593 0.07 1 477 173 173 LYS H H 7.793 0.02 1 478 173 173 LYS C C 177.042 0.2 1 479 173 173 LYS N N 126.875 0.07 1 480 174 174 GLU H H 9.576 0.02 1 481 174 174 GLU C C 176.858 0.2 1 482 174 174 GLU N N 118.864 0.07 1 483 175 175 MET H H 7.39 0.02 1 484 175 175 MET C C 174.055 0.2 1 485 175 175 MET N N 115.171 0.07 1 486 176 176 VAL H H 6.909 0.02 1 487 176 176 VAL C C 175.472 0.2 1 488 176 176 VAL N N 118.21 0.07 1 489 177 177 LEU H H 8.741 0.02 1 490 177 177 LEU C C 177.061 0.2 1 491 177 177 LEU N N 124.38 0.07 1 492 178 178 GLY H H 6.719 0.02 1 493 178 178 GLY C C 169.94 0.2 1 494 178 178 GLY N N 99.975 0.07 1 495 179 179 PHE H H 7.847 0.02 1 496 179 179 PHE C C 174.784 0.2 1 497 179 179 PHE N N 115.654 0.07 1 498 180 180 ALA H H 8.535 0.02 1 499 180 180 ALA C C 176.316 0.2 1 500 180 180 ALA N N 123.286 0.07 1 501 181 181 THR H H 8.052 0.02 1 502 181 181 THR C C 175.151 0.2 1 503 181 181 THR N N 109.383 0.07 1 504 182 182 ASP H H 7.696 0.02 1 505 182 182 ASP C C 178.761 0.2 1 506 182 182 ASP N N 120.171 0.07 1 507 183 183 VAL H H 7.839 0.02 1 508 183 183 VAL N N 113.461 0.07 1 509 187 187 THR C C 173.822 0.2 1 510 188 188 SER H H 7.187 0.02 1 511 188 188 SER N N 117.444 0.07 1 512 189 189 HIS C C 176.576 0.2 1 513 190 190 THR H H 8.081 0.02 1 514 190 190 THR C C 174.941 0.2 1 515 190 190 THR N N 113.382 0.07 1 516 191 191 ALA H H 6.864 0.02 1 517 191 191 ALA C C 178.318 0.2 1 518 191 191 ALA N N 121.594 0.07 1 519 192 192 ILE H H 7.726 0.02 1 520 192 192 ILE C C 179.76 0.2 1 521 192 192 ILE N N 117.941 0.07 1 522 193 193 MET H H 8.326 0.02 1 523 193 193 MET C C 178.532 0.2 1 524 193 193 MET N N 120.689 0.07 1 525 194 194 ALA H H 8.198 0.02 1 526 194 194 ALA C C 179.572 0.2 1 527 194 194 ALA N N 122.404 0.07 1 528 195 195 ARG H H 8.011 0.02 1 529 195 195 ARG C C 180.602 0.2 1 530 195 195 ARG N N 116.907 0.07 1 531 196 196 SER H H 7.697 0.02 1 532 196 196 SER C C 175.54 0.2 1 533 196 196 SER N N 116.017 0.07 1 534 197 197 LEU H H 7.545 0.02 1 535 197 197 LEU C C 175.389 0.2 1 536 197 197 LEU N N 120.896 0.07 1 537 198 198 GLU H H 7.676 0.02 1 538 198 198 GLU C C 175.643 0.2 1 539 198 198 GLU N N 116.82 0.07 1 540 199 199 ILE H H 7.825 0.02 1 541 199 199 ILE N N 115.505 0.07 1 542 200 200 PRO C C 176.406 0.2 1 543 201 201 ALA H H 8.005 0.02 1 544 201 201 ALA C C 175.833 0.2 1 545 201 201 ALA N N 118.22 0.07 1 546 202 202 VAL H H 7.849 0.02 1 547 202 202 VAL C C 173.957 0.2 1 548 202 202 VAL N N 123.8 0.07 1 549 203 203 VAL H H 8.046 0.02 1 550 203 203 VAL C C 176.365 0.2 1 551 203 203 VAL N N 116.439 0.07 1 552 204 204 GLY H H 6.518 0.02 1 553 204 204 GLY C C 175.964 0.2 1 554 204 204 GLY N N 106.155 0.07 1 555 205 205 LEU H H 7.94 0.02 1 556 205 205 LEU C C 178.28 0.2 1 557 205 205 LEU N N 117.754 0.07 1 558 206 206 GLY H H 9.946 0.02 1 559 206 206 GLY C C 175.559 0.2 1 560 206 206 GLY N N 113.051 0.07 1 561 207 207 ASN H H 7.857 0.02 1 562 207 207 ASN C C 177.922 0.2 1 563 207 207 ASN N N 120.701 0.07 1 564 208 208 VAL H H 7.63 0.02 1 565 208 208 VAL C C 176.903 0.2 1 566 208 208 VAL N N 123.933 0.07 1 567 209 209 THR H H 9.127 0.02 1 568 209 209 THR C C 175.719 0.2 1 569 209 209 THR N N 113.192 0.07 1 570 210 210 SER H H 7.054 0.02 1 571 210 210 SER C C 174.825 0.2 1 572 210 210 SER N N 113.308 0.07 1 573 211 211 GLN H H 7.329 0.02 1 574 211 211 GLN C C 174.227 0.2 1 575 211 211 GLN N N 119.004 0.07 1 576 212 212 VAL H H 6.934 0.02 1 577 212 212 VAL C C 172.975 0.2 1 578 212 212 VAL N N 118.03 0.07 1 579 213 213 LYS H H 8.53 0.02 1 580 213 213 LYS C C 175.908 0.2 1 581 213 213 LYS N N 125.145 0.07 1 582 214 214 ALA H H 8.119 0.02 1 583 214 214 ALA C C 178.952 0.2 1 584 214 214 ALA N N 123.056 0.07 1 585 215 215 GLY H H 8.648 0.02 1 586 215 215 GLY C C 174.289 0.2 1 587 215 215 GLY N N 111.6 0.07 1 588 216 216 ASP H H 7.841 0.02 1 589 216 216 ASP C C 175.272 0.2 1 590 216 216 ASP N N 122.265 0.07 1 591 217 217 LEU H H 7.881 0.02 1 592 217 217 LEU C C 175.575 0.2 1 593 217 217 LEU N N 123.246 0.07 1 594 218 218 VAL H H 8.873 0.02 1 595 218 218 VAL C C 173.842 0.2 1 596 218 218 VAL N N 122.488 0.07 1 597 219 219 ILE H H 8.277 0.02 1 598 219 219 ILE C C 175.479 0.2 1 599 219 219 ILE N N 121.25 0.07 1 600 220 220 VAL H H 8.968 0.02 1 601 220 220 VAL C C 173.459 0.2 1 602 220 220 VAL N N 126.337 0.07 1 603 221 221 ASP H H 8.777 0.02 1 604 221 221 ASP C C 176.962 0.2 1 605 221 221 ASP N N 126.549 0.07 1 606 222 222 GLY H H 8.842 0.02 1 607 222 222 GLY C C 173.307 0.2 1 608 222 222 GLY N N 112.694 0.07 1 609 223 223 LEU H H 8.674 0.02 1 610 223 223 LEU C C 178.69 0.2 1 611 223 223 LEU N N 120.809 0.07 1 612 224 224 GLU H H 7.939 0.02 1 613 224 224 GLU C C 177.553 0.2 1 614 224 224 GLU N N 117.017 0.07 1 615 225 225 GLY H H 7.975 0.02 1 616 225 225 GLY C C 172.306 0.2 1 617 225 225 GLY N N 109.06 0.07 1 618 226 226 ILE H H 7.697 0.02 1 619 226 226 ILE C C 174.275 0.2 1 620 226 226 ILE N N 116.529 0.07 1 621 227 227 VAL H H 8.476 0.02 1 622 227 227 VAL C C 174.393 0.2 1 623 227 227 VAL N N 123.278 0.07 1 624 228 228 ILE H H 8.509 0.02 1 625 228 228 ILE C C 174.265 0.2 1 626 228 228 ILE N N 126.418 0.07 1 627 229 229 VAL H H 8.317 0.02 1 628 229 229 VAL C C 174.891 0.2 1 629 229 229 VAL N N 127.932 0.07 1 630 230 230 ASN H H 9.435 0.02 1 631 230 230 ASN N N 123.274 0.07 1 632 231 231 PRO C C 175.979 0.2 1 633 232 232 ASP H H 7.806 0.02 1 634 232 232 ASP C C 175.993 0.2 1 635 232 232 ASP N N 118.249 0.07 1 636 233 233 GLU H H 8.411 0.02 1 637 233 233 GLU C C 178.84 0.2 1 638 233 233 GLU N N 119.328 0.07 1 639 234 234 LYS H H 7.869 0.02 1 640 234 234 LYS C C 178.7 0.2 1 641 234 234 LYS N N 120.272 0.07 1 642 235 235 THR H H 7.871 0.02 1 643 235 235 THR C C 176.933 0.2 1 644 235 235 THR N N 119.247 0.07 1 645 236 236 VAL H H 8.001 0.02 1 646 236 236 VAL C C 177.355 0.2 1 647 236 236 VAL N N 121.698 0.07 1 648 237 237 GLU H H 7.845 0.02 1 649 237 237 GLU C C 179.716 0.2 1 650 237 237 GLU N N 119.815 0.07 1 651 238 238 ASP H H 8.169 0.02 1 652 238 238 ASP C C 179.739 0.2 1 653 238 238 ASP N N 121.206 0.07 1 654 239 239 TYR H H 8.355 0.02 1 655 239 239 TYR C C 178.68 0.2 1 656 239 239 TYR N N 119.587 0.07 1 657 240 240 LYS H H 8.92 0.02 1 658 240 240 LYS C C 179.619 0.2 1 659 240 240 LYS N N 123.645 0.07 1 660 241 241 SER H H 7.551 0.02 1 661 241 241 SER C C 177.422 0.2 1 662 241 241 SER N N 115.727 0.07 1 663 242 242 LYS H H 7.766 0.02 1 664 242 242 LYS N N 123.902 0.07 1 665 264 264 PRO C C 176.888 0.2 1 666 265 265 ASP H H 8.341 0.02 1 667 265 265 ASP C C 176.894 0.2 1 668 265 265 ASP N N 109.493 0.07 1 669 266 266 GLY H H 7.928 0.02 1 670 266 266 GLY C C 174.01 0.2 1 671 266 266 GLY N N 108.923 0.07 1 672 267 267 LYS H H 8.302 0.02 1 673 267 267 LYS C C 174.271 0.2 1 674 267 267 LYS N N 124.591 0.07 1 675 268 268 LYS H H 8.156 0.02 1 676 268 268 LYS N N 128.621 0.07 1 677 271 271 LEU C C 173.637 0.2 1 678 272 272 ALA H H 9.236 0.02 1 679 272 272 ALA C C 174.337 0.2 1 680 272 272 ALA N N 127.685 0.07 1 681 273 273 ALA H H 7.989 0.02 1 682 273 273 ALA C C 177.247 0.2 1 683 273 273 ALA N N 118.345 0.07 1 684 274 274 ASN H H 7.293 0.02 1 685 274 274 ASN C C 175.51 0.2 1 686 274 274 ASN N N 120.264 0.07 1 687 275 275 ILE H H 9.276 0.02 1 688 275 275 ILE N N 118.896 0.07 1 689 276 276 GLY C C 172.111 0.2 1 690 277 277 THR H H 7.345 0.02 1 691 277 277 THR N N 109.519 0.07 1 692 279 279 LYS C C 177.95 0.2 1 693 280 280 ASP H H 7.496 0.02 1 694 280 280 ASP C C 177.506 0.2 1 695 280 280 ASP N N 118.495 0.07 1 696 281 281 VAL H H 7.309 0.02 1 697 281 281 VAL N N 119.595 0.07 1 698 282 282 ALA H H 7.562 0.02 1 699 282 282 ALA N N 122.087 0.07 1 700 283 283 SER C C 177.068 0.2 1 701 284 284 ALA H H 7.367 0.02 1 702 284 284 ALA C C 179.038 0.2 1 703 284 284 ALA N N 124.585 0.07 1 704 285 285 LEU H H 7.994 0.02 1 705 285 285 LEU C C 181.047 0.2 1 706 285 285 LEU N N 118.253 0.07 1 707 286 286 ALA H H 7.917 0.02 1 708 286 286 ALA C C 178.162 0.2 1 709 286 286 ALA N N 122.253 0.07 1 710 287 287 ASN H H 7.045 0.02 1 711 287 287 ASN C C 174.487 0.2 1 712 287 287 ASN N N 112.859 0.07 1 713 288 288 GLY H H 7.517 0.02 1 714 288 288 GLY C C 174.813 0.2 1 715 288 288 GLY N N 104.84 0.07 1 716 289 289 ALA H H 7.822 0.02 1 717 289 289 ALA N N 120.315 0.07 1 718 290 290 GLU C C 175.028 0.2 1 719 291 291 GLY H H 7.314 0.02 1 720 291 291 GLY C C 171.72 0.2 1 721 291 291 GLY N N 101.111 0.07 1 722 292 292 VAL H H 9.242 0.02 1 723 292 292 VAL C C 175.704 0.2 1 724 292 292 VAL N N 123.798 0.07 1 725 293 293 GLY H H 8.006 0.02 1 726 293 293 GLY C C 173.186 0.2 1 727 293 293 GLY N N 118.825 0.07 1 728 294 294 LEU H H 6.665 0.02 1 729 294 294 LEU C C 172.389 0.2 1 730 294 294 LEU N N 117.507 0.07 1 731 295 295 PHE H H 8.365 0.02 1 732 295 295 PHE C C 174.753 0.2 1 733 295 295 PHE N N 130.543 0.07 1 734 296 296 ARG H H 8.143 0.02 1 735 296 296 ARG N N 124.936 0.07 1 736 297 297 THR C C 175.48 0.2 1 737 298 298 GLU H H 7.782 0.02 1 738 298 298 GLU C C 179.173 0.2 1 739 298 298 GLU N N 119.882 0.07 1 740 299 299 PHE H H 8.873 0.02 1 741 299 299 PHE C C 176.452 0.2 1 742 299 299 PHE N N 118.727 0.07 1 743 300 300 LEU H H 6.272 0.02 1 744 300 300 LEU C C 174.612 0.2 1 745 300 300 LEU N N 121.379 0.07 1 746 301 301 TYR H H 7.682 0.02 1 747 301 301 TYR C C 176.981 0.2 1 748 301 301 TYR N N 113.84 0.07 1 749 302 302 MET H H 7.05 0.02 1 750 302 302 MET C C 175.461 0.2 1 751 302 302 MET N N 117.91 0.07 1 752 303 303 ASP H H 8.524 0.02 1 753 303 303 ASP C C 174.368 0.2 1 754 303 303 ASP N N 117.356 0.07 1 755 304 304 ARG H H 7.248 0.02 1 756 304 304 ARG N N 112.63 0.07 1 757 305 305 ASN C C 173.92 0.2 1 758 306 306 SER H H 6.834 0.02 1 759 306 306 SER C C 171.894 0.2 1 760 306 306 SER N N 112.059 0.07 1 761 307 307 LEU H H 7.755 0.02 1 762 307 307 LEU N N 121.595 0.07 1 763 308 308 PRO C C 177.411 0.2 1 764 309 309 SER H H 8.607 0.02 1 765 309 309 SER N N 121.903 0.07 1 766 310 310 GLU H H 8.765 0.02 1 767 310 310 GLU C C 178.301 0.2 1 768 310 310 GLU N N 122.447 0.07 1 769 311 311 GLU H H 8.185 0.02 1 770 311 311 GLU N N 117.436 0.07 1 771 312 312 GLU C C 179.526 0.2 1 772 313 313 GLN H H 7.495 0.02 1 773 313 313 GLN C C 175.287 0.2 1 774 313 313 GLN N N 116.516 0.07 1 775 314 314 PHE H H 8.585 0.02 1 776 314 314 PHE C C 175.726 0.2 1 777 314 314 PHE N N 118.666 0.07 1 778 315 315 GLU H H 7.905 0.02 1 779 315 315 GLU C C 179.054 0.2 1 780 315 315 GLU N N 117.017 0.07 1 781 316 316 ALA H H 6.866 0.02 1 782 316 316 ALA N N 121.603 0.07 1 783 318 318 LYS C C 176.907 0.2 1 784 319 319 GLU H H 7.279 0.02 1 785 319 319 GLU C C 178.412 0.2 1 786 319 319 GLU N N 118.093 0.07 1 787 320 320 VAL H H 6.856 0.02 1 788 320 320 VAL N N 116.166 0.07 1 789 321 321 VAL C C 179.163 0.2 1 790 322 322 GLU H H 8.805 0.02 1 791 322 322 GLU C C 180.501 0.2 1 792 322 322 GLU N N 119.785 0.07 1 793 323 323 LYS H H 7.718 0.02 1 794 323 323 LYS C C 178.092 0.2 1 795 323 323 LYS N N 120.198 0.07 1 796 324 324 MET H H 7.393 0.02 1 797 324 324 MET C C 180.388 0.2 1 798 324 324 MET N N 114.325 0.07 1 799 325 325 GLY H H 7.742 0.02 1 800 325 325 GLY N N 110.407 0.07 1 801 326 326 GLY H H 8.202 0.02 1 802 326 326 GLY C C 174.896 0.2 1 803 326 326 GLY N N 108.616 0.07 1 804 327 327 ARG H H 7.19 0.02 1 805 327 327 ARG N N 122.409 0.07 1 806 328 328 PRO C C 176.321 0.2 1 807 329 329 VAL H H 8.528 0.02 1 808 329 329 VAL N N 123.052 0.07 1 809 331 331 ILE H H 8.834 0.02 1 810 331 331 ILE C C 173.88 0.2 1 811 331 331 ILE N N 128.418 0.07 1 812 332 332 ARG H H 7.696 0.02 1 813 332 332 ARG N N 129.124 0.07 1 814 333 333 THR H H 8.049 0.02 1 815 333 333 THR C C 173.052 0.2 1 816 333 333 THR N N 119.363 0.07 1 817 334 334 LEU H H 8.372 0.02 1 818 334 334 LEU N N 118.358 0.07 1 819 335 335 ASP C C 174.66 0.2 1 820 336 336 ILE H H 6.037 0.02 1 821 336 336 ILE C C 173.936 0.2 1 822 336 336 ILE N N 114.153 0.07 1 823 337 337 GLY H H 7.462 0.02 1 824 337 337 GLY C C 173.571 0.2 1 825 337 337 GLY N N 109.697 0.07 1 826 338 338 GLY H H 9.466 0.02 1 827 338 338 GLY C C 174.374 0.2 1 828 338 338 GLY N N 109.09 0.07 1 829 339 339 ASP H H 9.108 0.02 1 830 339 339 ASP C C 175.756 0.2 1 831 339 339 ASP N N 116.463 0.07 1 832 340 340 LYS H H 7.439 0.02 1 833 340 340 LYS N N 119.602 0.07 1 834 341 341 GLU C C 175.58 0.2 1 835 342 342 LEU H H 7.838 0.02 1 836 342 342 LEU N N 124.818 0.07 1 837 343 343 PRO C C 176.644 0.2 1 838 344 344 TYR H H 6.168 0.02 1 839 344 344 TYR C C 174.655 0.2 1 840 344 344 TYR N N 110.065 0.07 1 841 345 345 LEU H H 6.792 0.02 1 842 345 345 LEU N N 84.655 0.07 1 843 351 351 MET C C 175.02 0.2 1 844 352 352 ASN H H 8.27 0.02 1 845 352 352 ASN N N 127.007 0.07 1 846 353 353 PRO C C 179.66 0.2 1 847 354 354 PHE H H 8.758 0.02 1 848 354 354 PHE C C 176.163 0.2 1 849 354 354 PHE N N 117.245 0.07 1 850 355 355 LEU H H 7.838 0.02 1 851 355 355 LEU C C 176.12 0.2 1 852 355 355 LEU N N 120.172 0.07 1 853 356 356 GLY H H 6.862 0.02 1 854 356 356 GLY C C 173.863 0.2 1 855 356 356 GLY N N 106.362 0.07 1 856 357 357 TYR H H 11 0.02 1 857 357 357 TYR C C 172.08 0.2 1 858 357 357 TYR N N 131.765 0.07 1 859 358 358 ARG H H 6.597 0.02 1 860 358 358 ARG C C 175.316 0.2 1 861 358 358 ARG N N 119.478 0.07 1 862 359 359 ALA H H 8.636 0.02 1 863 359 359 ALA C C 177.648 0.2 1 864 359 359 ALA N N 122.974 0.07 1 865 360 360 ILE H H 6.16 0.02 1 866 360 360 ILE C C 174.536 0.2 1 867 360 360 ILE N N 121.99 0.07 1 868 361 361 ARG H H 7.486 0.02 1 869 361 361 ARG C C 178.503 0.2 1 870 361 361 ARG N N 119.407 0.07 1 871 362 362 LEU H H 5.557 0.02 1 872 362 362 LEU C C 177.619 0.2 1 873 362 362 LEU N N 120.672 0.07 1 874 363 363 CYS H H 7.005 0.02 1 875 363 363 CYS C C 174.549 0.2 1 876 363 363 CYS N N 115.627 0.07 1 877 364 364 LEU H H 7.705 0.02 1 878 364 364 LEU C C 177.77 0.2 1 879 364 364 LEU N N 114.047 0.07 1 880 365 365 ASP H H 6.728 0.02 1 881 365 365 ASP C C 175.63 0.2 1 882 365 365 ASP N N 117.118 0.07 1 883 366 366 ARG H H 7.386 0.02 1 884 366 366 ARG N N 117.544 0.07 1 885 367 367 PRO C C 177.817 0.2 1 886 368 368 ASP H H 8.822 0.02 1 887 368 368 ASP C C 178.924 0.2 1 888 368 368 ASP N N 117.234 0.07 1 889 369 369 ILE H H 7.517 0.02 1 890 369 369 ILE C C 179.087 0.2 1 891 369 369 ILE N N 120.692 0.07 1 892 370 370 PHE H H 7.49 0.02 1 893 370 370 PHE C C 177.797 0.2 1 894 370 370 PHE N N 122.59 0.07 1 895 371 371 LYS H H 9.319 0.02 1 896 371 371 LYS C C 178.296 0.2 1 897 371 371 LYS N N 116.689 0.07 1 898 372 372 THR H H 7.146 0.02 1 899 372 372 THR C C 174.94 0.2 1 900 372 372 THR N N 115.001 0.07 1 901 373 373 GLN H H 6.989 0.02 1 902 373 373 GLN N N 120.052 0.07 1 903 378 378 LEU C C 176.439 0.2 1 904 379 379 ARG H H 7.292 0.02 1 905 379 379 ARG N N 118.457 0.07 1 906 381 381 SER C C 173.731 0.2 1 907 382 382 ALA H H 6.976 0.02 1 908 382 382 ALA C C 177.524 0.2 1 909 382 382 ALA N N 121.725 0.07 1 910 383 383 TYR H H 7.939 0.02 1 911 383 383 TYR C C 174.837 0.2 1 912 383 383 TYR N N 114.918 0.07 1 913 384 384 GLY H H 6.989 0.02 1 914 384 384 GLY C C 170.19 0.2 1 915 384 384 GLY N N 107.198 0.07 1 916 385 385 ASN H H 8.137 0.02 1 917 385 385 ASN C C 172.812 0.2 1 918 385 385 ASN N N 123.548 0.07 1 919 386 386 VAL H H 9.248 0.02 1 920 386 386 VAL N N 126.182 0.07 1 921 387 387 GLN C C 178.829 0.2 1 922 388 388 ILE H H 8.544 0.02 1 923 388 388 ILE N N 122.058 0.07 1 924 392 392 MET C C 173.029 0.2 1 925 393 393 ILE H H 6.54 0.02 1 926 393 393 ILE N N 116.657 0.07 1 927 394 394 SER C C 176.457 0.2 1 928 395 395 SER H H 7.699 0.02 1 929 395 395 SER C C 173.775 0.2 1 930 395 395 SER N N 119.753 0.07 1 931 396 396 VAL H H 8.22 0.02 1 932 396 396 VAL C C 176.334 0.2 1 933 396 396 VAL N N 123.138 0.07 1 934 397 397 GLU H H 9.741 0.02 1 935 397 397 GLU C C 179.528 0.2 1 936 397 397 GLU N N 123.547 0.07 1 937 398 398 GLU H H 7.479 0.02 1 938 398 398 GLU N N 117.22 0.07 1 939 399 399 VAL C C 177.372 0.2 1 940 400 400 ARG H H 7.826 0.02 1 941 400 400 ARG N N 118.65 0.07 1 942 401 401 LYS C C 179.445 0.2 1 943 402 402 ALA H H 8.287 0.02 1 944 402 402 ALA N N 123.696 0.07 1 945 403 403 ASN H H 8.681 0.02 1 946 403 403 ASN C C 178.603 0.2 1 947 403 403 ASN N N 115.883 0.07 1 948 404 404 SER H H 7.906 0.02 1 949 404 404 SER C C 177.075 0.2 1 950 404 404 SER N N 118.888 0.07 1 951 405 405 ILE H H 7.356 0.02 1 952 405 405 ILE N N 125.239 0.07 1 953 407 407 GLU C C 179.469 0.2 1 954 408 408 GLU H H 7.492 0.02 1 955 408 408 GLU N N 121.969 0.07 1 956 410 410 LYS C C 177.628 0.2 1 957 411 411 ALA H H 7.406 0.02 1 958 411 411 ALA C C 181.054 0.2 1 959 411 411 ALA N N 118.901 0.07 1 960 412 412 GLU H H 7.684 0.02 1 961 412 412 GLU C C 178.992 0.2 1 962 412 412 GLU N N 120.071 0.07 1 963 413 413 LEU H H 7.991 0.02 1 964 413 413 LEU C C 180.136 0.2 1 965 413 413 LEU N N 119.957 0.07 1 966 414 414 ASP H H 8.581 0.02 1 967 414 414 ASP C C 180.215 0.2 1 968 414 414 ASP N N 120.273 0.07 1 969 415 415 ARG H H 7.749 0.02 1 970 415 415 ARG C C 178.34 0.2 1 971 415 415 ARG N N 121.144 0.07 1 972 416 416 GLU H H 7.678 0.02 1 973 416 416 GLU C C 176.854 0.2 1 974 416 416 GLU N N 117.834 0.07 1 975 417 417 GLY H H 7.768 0.02 1 976 417 417 GLY C C 174.591 0.2 1 977 417 417 GLY N N 109.239 0.07 1 978 418 418 VAL H H 7.813 0.02 1 979 418 418 VAL C C 175.507 0.2 1 980 418 418 VAL N N 123.023 0.07 1 981 419 419 LYS H H 8.069 0.02 1 982 419 419 LYS C C 174.752 0.2 1 983 419 419 LYS N N 127.6 0.07 1 984 420 420 TYR H H 6.95 0.02 1 985 420 420 TYR C C 173.041 0.2 1 986 420 420 TYR N N 115.482 0.07 1 987 421 421 ASP H H 8.343 0.02 1 988 421 421 ASP C C 175.986 0.2 1 989 421 421 ASP N N 120.611 0.07 1 990 422 422 LYS H H 7.796 0.02 1 991 422 422 LYS C C 177.763 0.2 1 992 422 422 LYS N N 126.619 0.07 1 993 423 423 GLU H H 8.253 0.02 1 994 423 423 GLU C C 175.821 0.2 1 995 423 423 GLU N N 118.946 0.07 1 996 424 424 ILE H H 6.707 0.02 1 997 424 424 ILE C C 174.638 0.2 1 998 424 424 ILE N N 121.291 0.07 1 999 425 425 LYS H H 8.02 0.02 1 1000 425 425 LYS C C 175.796 0.2 1 1001 425 425 LYS N N 127.151 0.07 1 1002 426 426 VAL H H 9.398 0.02 1 1003 426 426 VAL N N 122.81 0.07 1 1004 433 433 PRO C C 177.911 0.2 1 1005 434 434 SER H H 8.204 0.02 1 1006 434 434 SER C C 176.023 0.2 1 1007 434 434 SER N N 110.755 0.07 1 1008 435 435 ALA H H 7.65 0.02 1 1009 435 435 ALA N N 128.373 0.07 1 1010 436 436 ALA H H 6.673 0.02 1 1011 436 436 ALA C C 177.578 0.2 1 1012 436 436 ALA N N 115.653 0.07 1 1013 437 437 VAL H H 8.714 0.02 1 1014 437 437 VAL C C 176.853 0.2 1 1015 437 437 VAL N N 120.588 0.07 1 1016 438 438 THR H H 7.255 0.02 1 1017 438 438 THR C C 174.219 0.2 1 1018 438 438 THR N N 105.775 0.07 1 1019 439 439 ALA H H 7.119 0.02 1 1020 439 439 ALA C C 177.5 0.2 1 1021 439 439 ALA N N 126.928 0.07 1 1022 440 440 ASP H H 9.182 0.02 1 1023 440 440 ASP C C 177.51 0.2 1 1024 440 440 ASP N N 114.436 0.07 1 1025 441 441 ILE H H 7.28 0.02 1 1026 441 441 ILE C C 179.133 0.2 1 1027 441 441 ILE N N 122.151 0.07 1 1028 442 442 LEU H H 7.633 0.02 1 1029 442 442 LEU C C 178.714 0.2 1 1030 442 442 LEU N N 118.858 0.07 1 1031 443 443 ALA H H 8.732 0.02 1 1032 443 443 ALA C C 176.896 0.2 1 1033 443 443 ALA N N 119.511 0.07 1 1034 444 444 LYS H H 6.76 0.02 1 1035 444 444 LYS C C 177.502 0.2 1 1036 444 444 LYS N N 112.428 0.07 1 1037 445 445 GLU H H 7.624 0.02 1 1038 445 445 GLU C C 175.58 0.2 1 1039 445 445 GLU N N 115.406 0.07 1 1040 446 446 VAL H H 6.827 0.02 1 1041 446 446 VAL C C 174.405 0.2 1 1042 446 446 VAL N N 109.363 0.07 1 1043 447 447 ASP H H 8.56 0.02 1 1044 447 447 ASP C C 175.32 0.2 1 1045 447 447 ASP N N 116.511 0.07 1 1046 448 448 PHE H H 6.656 0.02 1 1047 448 448 PHE C C 171.572 0.2 1 1048 448 448 PHE N N 109.924 0.07 1 1049 449 449 PHE H H 7.558 0.02 1 1050 449 449 PHE N N 114.01 0.07 1 1051 450 450 SER C C 175.339 0.2 1 1052 451 451 ILE H H 9.508 0.02 1 1053 451 451 ILE C C 175.953 0.2 1 1054 451 451 ILE N N 128.347 0.07 1 1055 452 452 GLY H H 8.764 0.02 1 1056 452 452 GLY N N 120.215 0.07 1 1057 461 461 LEU C C 174.107 0.2 1 1058 462 462 ALA H H 7.106 0.02 1 1059 462 462 ALA C C 175.095 0.2 1 1060 462 462 ALA N N 120.499 0.07 1 1061 463 463 VAL H H 9.011 0.02 1 1062 463 463 VAL C C 172.233 0.2 1 1063 463 463 VAL N N 119.813 0.07 1 1064 464 464 ASP H H 7.263 0.02 1 1065 464 464 ASP C C 177.102 0.2 1 1066 464 464 ASP N N 125.04 0.07 1 1067 465 465 ARG H H 8.534 0.02 1 1068 465 465 ARG C C 175.667 0.2 1 1069 465 465 ARG N N 126.743 0.07 1 1070 466 466 MET H H 8.252 0.02 1 1071 466 466 MET C C 175.723 0.2 1 1072 466 466 MET N N 116.447 0.07 1 1073 467 467 ASN H H 7.222 0.02 1 1074 467 467 ASN N N 120.575 0.07 1 1075 468 468 GLU C C 177.452 0.2 1 1076 469 469 HIS H H 8.184 0.02 1 1077 469 469 HIS C C 176.561 0.2 1 1078 469 469 HIS N N 116.959 0.07 1 1079 470 470 VAL H H 7.175 0.02 1 1080 470 470 VAL C C 175.881 0.2 1 1081 470 470 VAL N N 106.876 0.07 1 1082 471 471 LYS H H 7.01 0.02 1 1083 471 471 LYS C C 178.738 0.2 1 1084 471 471 LYS N N 122.534 0.07 1 1085 472 472 GLU H H 8.781 0.02 1 1086 472 472 GLU C C 177.182 0.2 1 1087 472 472 GLU N N 118.508 0.07 1 1088 473 473 TYR H H 7.957 0.02 1 1089 473 473 TYR C C 175.651 0.2 1 1090 473 473 TYR N N 116.752 0.07 1 1091 474 474 TYR H H 7.473 0.02 1 1092 474 474 TYR C C 173.002 0.2 1 1093 474 474 TYR N N 121.899 0.07 1 1094 475 475 GLN H H 5.498 0.02 1 1095 475 475 GLN N N 126.444 0.07 1 1096 476 476 PRO C C 174.344 0.2 1 1097 477 477 PHE H H 7.567 0.02 1 1098 477 477 PHE C C 173.787 0.2 1 1099 477 477 PHE N N 108.669 0.07 1 1100 478 478 HIS H H 7.346 0.02 1 1101 478 478 HIS N N 118.665 0.07 1 1102 479 479 PRO C C 178.494 0.2 1 1103 480 480 ALA H H 11.695 0.02 1 1104 480 480 ALA N N 120.347 0.07 1 1105 482 482 LEU C C 178.621 0.2 1 1106 483 483 ARG H H 8.277 0.02 1 1107 483 483 ARG N N 117.974 0.07 1 1108 489 489 ILE C C 177.403 0.2 1 1109 490 490 ASP H H 8.503 0.02 1 1110 490 490 ASP C C 179.298 0.2 1 1111 490 490 ASP N N 118.55 0.07 1 1112 491 491 ALA H H 7.524 0.02 1 1113 491 491 ALA N N 122.353 0.07 1 1114 492 492 ALA C C 180.409 0.2 1 1115 493 493 HIS H H 8.411 0.02 1 1116 493 493 HIS C C 178.843 0.2 1 1117 493 493 HIS N N 116.255 0.07 1 1118 494 494 LYS H H 8.227 0.02 1 1119 494 494 LYS C C 177.679 0.2 1 1120 494 494 LYS N N 123.669 0.07 1 1121 495 495 GLU H H 6.846 0.02 1 1122 495 495 GLU C C 176.392 0.2 1 1123 495 495 GLU N N 114.521 0.07 1 1124 496 496 GLY H H 7.745 0.02 1 1125 496 496 GLY C C 174.578 0.2 1 1126 496 496 GLY N N 108.529 0.07 1 1127 497 497 LYS H H 8.237 0.02 1 1128 497 497 LYS C C 174.676 0.2 1 1129 497 497 LYS N N 119.721 0.07 1 1130 498 498 PHE H H 6.922 0.02 1 1131 498 498 PHE C C 173.245 0.2 1 1132 498 498 PHE N N 116.226 0.07 1 1133 499 499 ALA H H 9.508 0.02 1 1134 499 499 ALA C C 173.987 0.2 1 1135 499 499 ALA N N 122.9 0.07 1 1136 500 500 ALA H H 9.007 0.02 1 1137 500 500 ALA C C 177.091 0.2 1 1138 500 500 ALA N N 125.597 0.07 1 1139 501 501 MET H H 7.923 0.02 1 1140 501 501 MET C C 178.5 0.2 1 1141 501 501 MET N N 118.903 0.07 1 1142 502 502 CYS H H 7.612 0.02 1 1143 502 502 CYS C C 175.263 0.2 1 1144 502 502 CYS N N 115.721 0.07 1 1145 503 503 GLY H H 7.256 0.02 1 1146 503 503 GLY N N 106.876 0.07 1 1147 504 504 GLU C C 176.616 0.2 1 1148 505 505 MET H H 7.979 0.02 1 1149 505 505 MET C C 176.351 0.2 1 1150 505 505 MET N N 123.653 0.07 1 1151 506 506 ALA H H 7.013 0.02 1 1152 506 506 ALA C C 176.161 0.2 1 1153 506 506 ALA N N 116.293 0.07 1 1154 507 507 GLY H H 7.123 0.02 1 1155 507 507 GLY C C 172.92 0.2 1 1156 507 507 GLY N N 100.794 0.07 1 1157 508 508 ASP H H 7.236 0.02 1 1158 508 508 ASP N N 122.809 0.07 1 1159 509 509 PRO C C 177.075 0.2 1 1160 510 510 LEU H H 8.134 0.02 1 1161 510 510 LEU C C 178.51 0.2 1 1162 510 510 LEU N N 114.29 0.07 1 1163 511 511 ALA H H 7.595 0.02 1 1164 511 511 ALA C C 179.274 0.2 1 1165 511 511 ALA N N 117.904 0.07 1 1166 512 512 ALA H H 7.753 0.02 1 1167 512 512 ALA C C 178.785 0.2 1 1168 512 512 ALA N N 121.089 0.07 1 1169 513 513 VAL H H 8.518 0.02 1 1170 513 513 VAL C C 178.12 0.2 1 1171 513 513 VAL N N 114.459 0.07 1 1172 514 514 ILE H H 6.691 0.02 1 1173 514 514 ILE N N 117.415 0.07 1 1174 515 515 LEU H H 7.74 0.02 1 1175 515 515 LEU N N 121.029 0.07 1 1176 517 517 GLY H H 8.009 0.02 1 1177 517 517 GLY N N 106.185 0.07 1 1178 518 518 LEU C C 177.051 0.2 1 1179 519 519 GLY H H 7.664 0.02 1 1180 519 519 GLY C C 174.923 0.2 1 1181 519 519 GLY N N 104.888 0.07 1 1182 520 520 LEU H H 7.284 0.02 1 1183 520 520 LEU N N 121.493 0.07 1 1184 524 524 SER C C 173.673 0.2 1 1185 525 525 MET H H 8.323 0.02 1 1186 525 525 MET N N 123.557 0.07 1 1187 527 527 ALA H H 9.327 0.02 1 1188 527 527 ALA N N 129.34 0.07 1 1189 528 528 THR H H 7.388 0.02 1 1190 528 528 THR C C 176.435 0.2 1 1191 528 528 THR N N 103.153 0.07 1 1192 529 529 SER H H 7.987 0.02 1 1193 529 529 SER C C 173.798 0.2 1 1194 529 529 SER N N 117.366 0.07 1 1195 530 530 ILE H H 7.295 0.02 1 1196 530 530 ILE N N 83.327 0.07 1 1197 531 531 PRO C C 178.583 0.2 1 1198 532 532 GLU H H 6.873 0.02 1 1199 532 532 GLU N N 115.971 0.07 1 1200 533 533 ILE C C 178.335 0.2 1 1201 534 534 LYS H H 8.668 0.02 1 1202 534 534 LYS N N 121.546 0.07 1 1203 535 535 ASN C C 176.67 0.2 1 1204 536 536 ILE H H 7.133 0.02 1 1205 536 536 ILE N N 118.684 0.07 1 1206 537 537 ILE C C 176.127 0.2 1 1207 538 538 ARG H H 7.627 0.02 1 1208 538 538 ARG N N 110.793 0.07 1 1209 539 539 ASN C C 173.792 0.2 1 1210 540 540 VAL H H 7.341 0.02 1 1211 540 540 VAL C C 172.562 0.2 1 1212 540 540 VAL N N 121.362 0.07 1 1213 541 541 GLU H H 8.156 0.02 1 1214 541 541 GLU C C 177.928 0.2 1 1215 541 541 GLU N N 122.024 0.07 1 1216 542 542 TYR H H 11.389 0.02 1 1217 542 542 TYR C C 177.652 0.2 1 1218 542 542 TYR N N 131.031 0.07 1 1219 543 543 GLU H H 8.268 0.02 1 1220 543 543 GLU C C 178.763 0.2 1 1221 543 543 GLU N N 116.078 0.07 1 1222 544 544 LYS H H 6.361 0.02 1 1223 544 544 LYS C C 178.252 0.2 1 1224 544 544 LYS N N 117.49 0.07 1 1225 545 545 ALA H H 8.377 0.02 1 1226 545 545 ALA C C 179.36 0.2 1 1227 545 545 ALA N N 123.453 0.07 1 1228 546 546 LYS H H 8.325 0.02 1 1229 546 546 LYS C C 178.316 0.2 1 1230 546 546 LYS N N 118.256 0.07 1 1231 547 547 GLU H H 6.805 0.02 1 1232 547 547 GLU N N 119.528 0.07 1 1233 550 550 GLU H H 7.696 0.02 1 1234 550 550 GLU C C 179.301 0.2 1 1235 550 550 GLU N N 114.922 0.07 1 1236 551 551 LYS H H 7.49 0.02 1 1237 551 551 LYS C C 179.99 0.2 1 1238 551 551 LYS N N 119.167 0.07 1 1239 552 552 ALA H H 8.151 0.02 1 1240 552 552 ALA C C 178.577 0.2 1 1241 552 552 ALA N N 122.066 0.07 1 1242 553 553 LEU H H 7.428 0.02 1 1243 553 553 LEU C C 177.349 0.2 1 1244 553 553 LEU N N 113.977 0.07 1 1245 554 554 ASN H H 7.269 0.02 1 1246 554 554 ASN C C 174.991 0.2 1 1247 554 554 ASN N N 115.953 0.07 1 1248 555 555 MET H H 7.108 0.02 1 1249 555 555 MET N N 121.208 0.07 1 1250 556 556 SER H H 8.08 0.02 1 1251 556 556 SER C C 173.493 0.2 1 1252 556 556 SER N N 111.289 0.07 1 1253 557 557 GLU H H 7.084 0.02 1 1254 557 557 GLU C C 176.322 0.2 1 1255 557 557 GLU N N 115.905 0.07 1 1256 558 558 ALA H H 8.816 0.02 1 1257 558 558 ALA C C 179.694 0.2 1 1258 558 558 ALA N N 128.017 0.07 1 1259 559 559 ARG H H 8.587 0.02 1 1260 559 559 ARG C C 179.115 0.2 1 1261 559 559 ARG N N 114.775 0.07 1 1262 560 560 GLU H H 6.952 0.02 1 1263 560 560 GLU C C 178.985 0.2 1 1264 560 560 GLU N N 118.156 0.07 1 1265 561 561 ILE H H 7.236 0.02 1 1266 561 561 ILE C C 177.725 0.2 1 1267 561 561 ILE N N 123.282 0.07 1 1268 562 562 GLU H H 8.006 0.02 1 1269 562 562 GLU C C 178.05 0.2 1 1270 562 562 GLU N N 119.38 0.07 1 1271 563 563 LYS H H 7.431 0.02 1 1272 563 563 LYS C C 178.679 0.2 1 1273 563 563 LYS N N 117.636 0.07 1 1274 564 564 MET H H 7.454 0.02 1 1275 564 564 MET C C 178.637 0.2 1 1276 564 564 MET N N 119.155 0.07 1 1277 565 565 MET H H 7.947 0.02 1 1278 565 565 MET C C 178.939 0.2 1 1279 565 565 MET N N 116.862 0.07 1 1280 566 566 LYS H H 7.992 0.02 1 1281 566 566 LYS C C 178.845 0.2 1 1282 566 566 LYS N N 120.924 0.07 1 1283 567 567 ASP H H 7.223 0.02 1 1284 567 567 ASP C C 178.377 0.2 1 1285 567 567 ASP N N 118.614 0.07 1 1286 568 568 VAL H H 7.747 0.02 1 1287 568 568 VAL C C 178.514 0.2 1 1288 568 568 VAL N N 120.312 0.07 1 1289 569 569 ILE H H 7.688 0.02 1 1290 569 569 ILE C C 177.873 0.2 1 1291 569 569 ILE N N 114.377 0.07 1 1292 570 570 LYS H H 7.212 0.02 1 1293 570 570 LYS C C 177.054 0.2 1 1294 570 570 LYS N N 121.72 0.07 1 1295 571 571 ASP H H 7.455 0.02 1 1296 571 571 ASP C C 176.399 0.2 1 1297 571 571 ASP N N 117.739 0.07 1 1298 572 572 ILE H H 7.283 0.02 1 1299 572 572 ILE C C 175.525 0.2 1 1300 572 572 ILE N N 119.427 0.07 1 1301 573 573 GLY H H 7.528 0.02 1 1302 573 573 GLY N N 117.244 0.07 1 stop_ save_